data_25460 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25460 _Entry.PDB_ID 2MYW 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 25460 _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 8 8 GLY N N 8 110.720 110.720 111.902 -1.182 25460 2 1 1 . 1 1 8 8 GLY C C 8 174.650 174.650 174.563 0.087 25460 3 1 1 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.739 0.731 25460 4 1 1 . 1 1 8 8 GLY H H 8 8.462 8.462 8.110 0.352 25460 5 1 1 . 1 1 9 9 ARG N N 9 120.430 120.430 124.166 -3.736 25460 6 1 1 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.363 -0.045 25460 7 1 1 . 1 1 9 9 ARG C C 9 176.790 176.790 175.062 1.728 25460 8 1 1 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.796 0.544 25460 9 1 1 . 1 1 9 9 ARG CB C 9 30.530 30.530 29.591 0.939 25460 10 1 1 . 1 1 9 9 ARG H H 9 8.206 8.206 8.478 -0.272 25460 11 1 1 . 1 1 10 10 GLU N N 10 121.220 121.220 122.490 -1.270 25460 12 1 1 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.409 -0.199 25460 13 1 1 . 1 1 10 10 GLU C C 10 176.600 176.600 175.917 0.683 25460 14 1 1 . 1 1 10 10 GLU CA C 10 57.270 57.270 55.128 2.142 25460 15 1 1 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.518 -0.738 25460 16 1 1 . 1 1 10 10 GLU H H 10 8.562 8.562 7.960 0.602 25460 17 1 1 . 1 1 11 11 ASN N N 11 118.900 118.900 124.491 -5.591 25460 18 1 1 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.651 0.019 25460 19 1 1 . 1 1 11 11 ASN C C 11 175.420 175.420 174.003 1.417 25460 20 1 1 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.847 0.603 25460 21 1 1 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.007 0.703 25460 22 1 1 . 1 1 11 11 ASN H H 11 8.337 8.337 8.737 -0.400 25460 23 1 1 . 1 1 12 12 LEU N N 12 121.830 121.830 124.042 -2.212 25460 24 1 1 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.040 0.152 25460 25 1 1 . 1 1 12 12 LEU C C 12 177.290 177.290 175.493 1.797 25460 26 1 1 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.291 1.339 25460 27 1 1 . 1 1 12 12 LEU CB C 12 42.260 42.260 42.609 -0.349 25460 28 1 1 . 1 1 12 12 LEU H H 12 7.988 7.988 7.310 0.678 25460 29 1 1 . 1 1 13 13 TYR N N 13 119.550 119.550 123.813 -4.263 25460 30 1 1 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.385 0.113 25460 31 1 1 . 1 1 13 13 TYR C C 13 175.950 175.950 175.903 0.047 25460 32 1 1 . 1 1 13 13 TYR CA C 13 57.930 57.930 56.619 1.311 25460 33 1 1 . 1 1 13 13 TYR CB C 13 38.590 38.590 37.633 0.957 25460 34 1 1 . 1 1 13 13 TYR H H 13 7.966 7.966 8.011 -0.045 25460 35 1 1 . 1 1 14 14 PHE N N 14 121.130 121.130 124.980 -3.850 25460 36 1 1 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.440 0.084 25460 37 1 1 . 1 1 14 14 PHE C C 14 175.820 175.820 176.348 -0.528 25460 38 1 1 . 1 1 14 14 PHE CA C 14 57.950 57.950 59.457 -1.507 25460 39 1 1 . 1 1 14 14 PHE CB C 14 39.510 39.510 39.710 -0.200 25460 40 1 1 . 1 1 14 14 PHE H H 14 8.006 8.006 8.534 -0.528 25460 41 1 1 . 1 1 15 15 GLN N N 15 121.840 121.840 123.927 -2.087 25460 42 1 1 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.547 -0.362 25460 43 1 1 . 1 1 15 15 GLN C C 15 176.420 176.420 175.036 1.384 25460 44 1 1 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.369 0.811 25460 45 1 1 . 1 1 15 15 GLN CB C 15 29.110 29.110 30.521 -1.411 25460 46 1 1 . 1 1 15 15 GLN H H 15 8.217 8.217 8.876 -0.659 25460 47 1 1 . 1 1 16 16 GLY N N 16 108.430 108.430 115.563 -7.133 25460 48 1 1 . 1 1 16 16 GLY C C 16 174.140 174.140 174.332 -0.192 25460 49 1 1 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.605 0.705 25460 50 1 1 . 1 1 16 16 GLY H H 16 7.907 7.907 8.870 -0.963 25460 51 1 1 . 1 1 17 17 HIS N N 17 117.990 117.990 120.725 -2.735 25460 52 1 1 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.759 -0.882 25460 53 1 1 . 1 1 17 17 HIS C C 17 174.610 174.610 174.203 0.407 25460 54 1 1 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.307 0.123 25460 55 1 1 . 1 1 17 17 HIS CB C 17 29.280 29.280 28.288 0.992 25460 56 1 1 . 1 1 17 17 HIS H H 17 8.250 8.250 7.724 0.526 25460 57 1 1 . 1 1 18 18 MET N N 18 121.430 121.430 123.544 -2.114 25460 58 1 1 . 1 1 18 18 MET HA H 18 4.395 4.395 4.596 -0.201 25460 59 1 1 . 1 1 18 18 MET C C 18 175.750 175.750 174.333 1.417 25460 60 1 1 . 1 1 18 18 MET CA C 18 55.660 55.660 54.976 0.684 25460 61 1 1 . 1 1 18 18 MET CB C 18 32.740 32.740 34.613 -1.873 25460 62 1 1 . 1 1 18 18 MET H H 18 8.320 8.320 8.019 0.301 25460 63 1 1 . 1 1 19 19 ALA N N 19 125.550 125.550 123.559 1.991 25460 64 1 1 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.632 -0.360 25460 65 1 1 . 1 1 19 19 ALA C C 19 176.950 176.950 176.011 0.939 25460 66 1 1 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.535 0.725 25460 67 1 1 . 1 1 19 19 ALA CB C 19 19.130 19.130 20.002 -0.872 25460 68 1 1 . 1 1 19 19 ALA H H 19 8.262 8.262 8.529 -0.267 25460 69 1 1 . 1 1 20 20 ALA N N 20 124.430 124.430 121.420 3.010 25460 70 1 1 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.165 0.371 25460 71 1 1 . 1 1 20 20 ALA C C 20 175.390 175.390 175.813 -0.423 25460 72 1 1 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.781 -1.681 25460 73 1 1 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.713 0.707 25460 74 1 1 . 1 1 20 20 ALA H H 20 8.083 8.083 7.444 0.639 25460 75 1 1 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.324 0.126 25460 76 1 1 . 1 1 21 21 PRO C C 21 175.770 175.770 176.306 -0.536 25460 77 1 1 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.765 -8.245 25460 78 1 1 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.557 0.403 25460 79 1 1 . 1 1 22 22 ALA N N 22 124.420 124.420 121.926 2.494 25460 80 1 1 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.592 -0.259 25460 81 1 1 . 1 1 22 22 ALA C C 22 176.920 176.920 176.702 0.218 25460 82 1 1 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.266 1.085 25460 83 1 1 . 1 1 22 22 ALA CB C 22 19.190 19.190 20.596 -1.406 25460 84 1 1 . 1 1 22 22 ALA H H 22 8.235 8.235 7.479 0.756 25460 85 1 1 . 1 1 23 23 ARG N N 23 120.140 120.140 120.988 -0.848 25460 86 1 1 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.586 -0.243 25460 87 1 1 . 1 1 23 23 ARG C C 23 176.220 176.220 175.300 0.920 25460 88 1 1 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.183 0.817 25460 89 1 1 . 1 1 23 23 ARG CB C 23 33.490 33.490 33.857 -0.367 25460 90 1 1 . 1 1 23 23 ARG H H 23 9.271 9.271 9.117 0.154 25460 91 1 1 . 1 1 24 24 PHE N N 24 119.130 119.130 117.640 1.490 25460 92 1 1 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.585 -0.203 25460 93 1 1 . 1 1 24 24 PHE C C 24 175.910 175.910 174.389 1.521 25460 94 1 1 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.421 0.429 25460 95 1 1 . 1 1 24 24 PHE CB C 24 43.560 43.560 44.062 -0.502 25460 96 1 1 . 1 1 24 24 PHE H H 24 9.270 9.270 8.612 0.658 25460 97 1 1 . 1 1 25 25 CYS N N 25 116.300 116.300 118.407 -2.107 25460 98 1 1 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.391 -0.072 25460 99 1 1 . 1 1 25 25 CYS C C 25 172.990 172.990 173.874 -0.884 25460 100 1 1 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.875 -3.675 25460 101 1 1 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.235 9.505 25460 102 1 1 . 1 1 25 25 CYS H H 25 9.254 9.254 9.243 0.011 25460 103 1 1 . 1 1 26 26 VAL N N 26 126.290 126.290 123.252 3.038 25460 104 1 1 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.182 0.200 25460 105 1 1 . 1 1 26 26 VAL C C 26 174.520 174.520 174.749 -0.229 25460 106 1 1 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.004 -0.264 25460 107 1 1 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.130 0.250 25460 108 1 1 . 1 1 26 26 VAL H H 26 9.512 9.512 9.021 0.491 25460 109 1 1 . 1 1 27 27 TYR N N 27 123.620 123.620 126.923 -3.303 25460 110 1 1 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.448 -0.304 25460 111 1 1 . 1 1 27 27 TYR C C 27 175.400 175.400 175.359 0.041 25460 112 1 1 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.210 0.890 25460 113 1 1 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.355 0.505 25460 114 1 1 . 1 1 27 27 TYR H H 27 8.240 8.240 8.856 -0.616 25460 115 1 1 . 1 1 28 28 TYR N N 28 119.740 119.740 119.051 0.689 25460 116 1 1 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.298 -0.025 25460 117 1 1 . 1 1 28 28 TYR C C 28 174.590 174.590 174.692 -0.102 25460 118 1 1 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.310 0.590 25460 119 1 1 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.952 1.138 25460 120 1 1 . 1 1 28 28 TYR H H 28 9.448 9.448 9.230 0.218 25460 121 1 1 . 1 1 29 29 ASP N N 29 118.650 118.650 122.842 -4.192 25460 122 1 1 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.282 -0.027 25460 123 1 1 . 1 1 29 29 ASP C C 29 177.670 177.670 176.191 1.479 25460 124 1 1 . 1 1 29 29 ASP CA C 29 52.800 52.800 53.827 -1.027 25460 125 1 1 . 1 1 29 29 ASP CB C 29 41.350 41.350 42.277 -0.927 25460 126 1 1 . 1 1 29 29 ASP H H 29 8.995 8.995 9.050 -0.055 25460 127 1 1 . 1 1 30 30 GLY N N 30 114.740 114.740 116.187 -1.447 25460 128 1 1 . 1 1 30 30 GLY C C 30 173.320 173.320 172.353 0.967 25460 129 1 1 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.124 -1.014 25460 130 1 1 . 1 1 30 30 GLY H H 30 9.046 9.046 9.055 -0.009 25460 131 1 1 . 1 1 31 31 HIS N N 31 113.880 113.880 114.944 -1.064 25460 132 1 1 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.700 -0.207 25460 133 1 1 . 1 1 31 31 HIS C C 31 175.230 175.230 175.485 -0.255 25460 134 1 1 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.548 0.432 25460 135 1 1 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.383 0.247 25460 136 1 1 . 1 1 31 31 HIS H H 31 8.306 8.306 8.299 0.007 25460 137 1 1 . 1 1 32 32 LEU N N 32 124.060 124.060 125.006 -0.946 25460 138 1 1 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.550 0.274 25460 139 1 1 . 1 1 32 32 LEU C C 32 176.030 176.030 175.494 0.536 25460 140 1 1 . 1 1 32 32 LEU CA C 32 52.080 52.080 51.443 0.637 25460 141 1 1 . 1 1 32 32 LEU CB C 32 41.540 41.540 42.929 -1.389 25460 142 1 1 . 1 1 32 32 LEU H H 32 8.477 8.477 7.644 0.833 25460 143 1 1 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.130 -0.377 25460 144 1 1 . 1 1 33 33 PRO C C 33 177.880 177.880 176.877 1.003 25460 145 1 1 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.627 0.873 25460 146 1 1 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.946 -0.176 25460 147 1 1 . 1 1 34 34 ALA N N 34 115.220 115.220 118.244 -3.024 25460 148 1 1 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.222 -0.029 25460 149 1 1 . 1 1 34 34 ALA C C 34 179.120 179.120 178.969 0.151 25460 150 1 1 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.781 0.829 25460 151 1 1 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.196 0.234 25460 152 1 1 . 1 1 34 34 ALA H H 34 8.193 8.193 7.585 0.608 25460 153 1 1 . 1 1 35 35 THR N N 35 102.120 102.120 112.831 -10.711 25460 154 1 1 . 1 1 35 35 THR HA H 35 4.597 4.597 4.236 0.361 25460 155 1 1 . 1 1 35 35 THR C C 35 175.610 175.610 174.917 0.693 25460 156 1 1 . 1 1 35 35 THR CA C 35 60.400 60.400 62.384 -1.984 25460 157 1 1 . 1 1 35 35 THR CB C 35 70.550 70.550 69.054 1.496 25460 158 1 1 . 1 1 35 35 THR H H 35 7.187 7.187 7.493 -0.306 25460 159 1 1 . 1 1 36 36 ARG N N 36 122.520 122.520 122.877 -0.357 25460 160 1 1 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.518 0.245 25460 161 1 1 . 1 1 36 36 ARG C C 36 175.220 175.220 175.926 -0.706 25460 162 1 1 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.792 1.298 25460 163 1 1 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.091 -0.211 25460 164 1 1 . 1 1 36 36 ARG H H 36 7.918 7.918 7.563 0.355 25460 165 1 1 . 1 1 37 37 VAL N N 37 122.110 122.110 126.010 -3.900 25460 166 1 1 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.286 0.055 25460 167 1 1 . 1 1 37 37 VAL C C 37 175.690 175.690 175.312 0.378 25460 168 1 1 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.728 0.602 25460 169 1 1 . 1 1 37 37 VAL CB C 37 35.050 35.050 32.654 2.396 25460 170 1 1 . 1 1 37 37 VAL H H 37 8.603 8.603 8.841 -0.238 25460 171 1 1 . 1 1 38 38 LEU N N 38 130.470 130.470 130.252 0.218 25460 172 1 1 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.094 -0.325 25460 173 1 1 . 1 1 38 38 LEU C C 38 176.510 176.510 176.083 0.427 25460 174 1 1 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.397 0.973 25460 175 1 1 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.522 0.298 25460 176 1 1 . 1 1 38 38 LEU H H 38 8.708 8.708 8.875 -0.167 25460 177 1 1 . 1 1 39 39 LEU N N 39 126.440 126.440 129.150 -2.710 25460 178 1 1 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.355 0.272 25460 179 1 1 . 1 1 39 39 LEU C C 39 176.800 176.800 177.266 -0.466 25460 180 1 1 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.085 -0.355 25460 181 1 1 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.954 -0.624 25460 182 1 1 . 1 1 39 39 LEU H H 39 9.254 9.254 9.015 0.239 25460 183 1 1 . 1 1 40 40 MET N N 40 114.550 114.550 111.169 3.381 25460 184 1 1 . 1 1 40 40 MET HA H 40 4.471 4.471 4.663 -0.192 25460 185 1 1 . 1 1 40 40 MET C C 40 173.750 173.750 173.575 0.175 25460 186 1 1 . 1 1 40 40 MET CA C 40 56.040 56.040 54.855 1.185 25460 187 1 1 . 1 1 40 40 MET CB C 40 36.880 36.880 35.033 1.847 25460 188 1 1 . 1 1 40 40 MET H H 40 7.054 7.054 7.525 -0.471 25460 189 1 1 . 1 1 41 41 TYR N N 41 123.270 123.270 118.996 4.274 25460 190 1 1 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.636 -0.823 25460 191 1 1 . 1 1 41 41 TYR C C 41 175.680 175.680 176.326 -0.646 25460 192 1 1 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.278 0.662 25460 193 1 1 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.882 -0.422 25460 194 1 1 . 1 1 41 41 TYR H H 41 8.563 8.563 8.446 0.117 25460 195 1 1 . 1 1 42 42 VAL N N 42 123.930 123.930 122.295 1.635 25460 196 1 1 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.469 -0.060 25460 197 1 1 . 1 1 42 42 VAL C C 42 175.600 175.600 174.543 1.057 25460 198 1 1 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.998 0.481 25460 199 1 1 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.384 -0.074 25460 200 1 1 . 1 1 42 42 VAL H H 42 9.442 9.442 9.296 0.146 25460 201 1 1 . 1 1 43 43 ARG N N 43 129.290 129.290 126.791 2.499 25460 202 1 1 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.220 -0.296 25460 203 1 1 . 1 1 43 43 ARG C C 43 177.010 177.010 176.134 0.876 25460 204 1 1 . 1 1 43 43 ARG CA C 43 56.760 56.760 54.782 1.978 25460 205 1 1 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.381 -0.401 25460 206 1 1 . 1 1 43 43 ARG H H 43 8.940 8.940 8.894 0.046 25460 207 1 1 . 1 1 44 44 ILE N N 44 128.260 128.260 127.104 1.156 25460 208 1 1 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.909 -0.223 25460 209 1 1 . 1 1 44 44 ILE C C 44 177.020 177.020 176.245 0.775 25460 210 1 1 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.879 2.051 25460 211 1 1 . 1 1 44 44 ILE CB C 44 37.240 37.240 37.087 0.153 25460 212 1 1 . 1 1 44 44 ILE H H 44 8.345 8.345 8.421 -0.076 25460 213 1 1 . 1 1 45 45 GLY N N 45 115.530 115.530 115.359 0.171 25460 214 1 1 . 1 1 45 45 GLY C C 45 174.860 174.860 173.973 0.887 25460 215 1 1 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.897 -0.657 25460 216 1 1 . 1 1 45 45 GLY H H 45 9.423 9.423 9.072 0.351 25460 217 1 1 . 1 1 46 46 THR N N 46 111.410 111.410 112.839 -1.429 25460 218 1 1 . 1 1 46 46 THR HA H 46 4.974 4.974 4.750 0.224 25460 219 1 1 . 1 1 46 46 THR C C 46 172.310 172.310 173.638 -1.328 25460 220 1 1 . 1 1 46 46 THR CA C 46 60.280 60.280 59.755 0.525 25460 221 1 1 . 1 1 46 46 THR CB C 46 72.160 72.160 71.549 0.611 25460 222 1 1 . 1 1 46 46 THR H H 46 7.925 7.925 7.898 0.027 25460 223 1 1 . 1 1 47 47 THR N N 47 109.430 109.430 113.161 -3.731 25460 224 1 1 . 1 1 47 47 THR HA H 47 5.383 5.383 5.253 0.130 25460 225 1 1 . 1 1 47 47 THR C C 47 174.560 174.560 173.939 0.621 25460 226 1 1 . 1 1 47 47 THR CA C 47 59.240 59.240 60.343 -1.103 25460 227 1 1 . 1 1 47 47 THR CB C 47 71.840 71.840 70.630 1.210 25460 228 1 1 . 1 1 47 47 THR H H 47 7.784 7.784 8.210 -0.426 25460 229 1 1 . 1 1 48 48 ALA N N 48 122.630 122.630 125.974 -3.344 25460 230 1 1 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.682 -0.024 25460 231 1 1 . 1 1 48 48 ALA C C 48 175.620 175.620 175.340 0.280 25460 232 1 1 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.892 -0.292 25460 233 1 1 . 1 1 48 48 ALA CB C 48 24.410 24.410 21.999 2.411 25460 234 1 1 . 1 1 48 48 ALA H H 48 8.681 8.681 9.032 -0.351 25460 235 1 1 . 1 1 49 49 THR N N 49 116.020 116.020 117.746 -1.726 25460 236 1 1 . 1 1 49 49 THR HA H 49 4.914 4.914 5.042 -0.128 25460 237 1 1 . 1 1 49 49 THR C C 49 174.400 174.400 174.203 0.197 25460 238 1 1 . 1 1 49 49 THR CA C 49 62.320 62.320 61.861 0.459 25460 239 1 1 . 1 1 49 49 THR CB C 49 69.260 69.260 68.777 0.483 25460 240 1 1 . 1 1 49 49 THR H H 49 8.347 8.347 8.393 -0.046 25460 241 1 1 . 1 1 50 50 ILE N N 50 126.050 126.050 128.795 -2.745 25460 242 1 1 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.281 0.155 25460 243 1 1 . 1 1 50 50 ILE C C 50 175.080 175.080 175.525 -0.445 25460 244 1 1 . 1 1 50 50 ILE CA C 50 59.510 59.510 59.090 0.420 25460 245 1 1 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.727 1.943 25460 246 1 1 . 1 1 50 50 ILE H H 50 9.199 9.199 9.057 0.142 25460 247 1 1 . 1 1 51 51 THR N N 51 120.630 120.630 123.521 -2.891 25460 248 1 1 . 1 1 51 51 THR HA H 51 5.312 5.312 5.484 -0.172 25460 249 1 1 . 1 1 51 51 THR C C 51 174.250 174.250 173.304 0.946 25460 250 1 1 . 1 1 51 51 THR CA C 51 61.030 61.030 61.155 -0.125 25460 251 1 1 . 1 1 51 51 THR CB C 51 69.850 69.850 69.904 -0.054 25460 252 1 1 . 1 1 51 51 THR H H 51 8.500 8.500 8.707 -0.207 25460 253 1 1 . 1 1 52 52 ALA N N 52 127.710 127.710 127.821 -0.111 25460 254 1 1 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.879 -0.168 25460 255 1 1 . 1 1 52 52 ALA C C 52 176.530 176.530 176.807 -0.277 25460 256 1 1 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.788 0.193 25460 257 1 1 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.869 0.851 25460 258 1 1 . 1 1 52 52 ALA H H 52 9.202 9.202 9.255 -0.053 25460 259 1 1 . 1 1 53 53 ARG N N 53 118.780 118.780 122.163 -3.383 25460 260 1 1 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.978 -0.122 25460 261 1 1 . 1 1 53 53 ARG C C 53 177.070 177.070 175.899 1.171 25460 262 1 1 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.509 0.521 25460 263 1 1 . 1 1 53 53 ARG CB C 53 27.040 27.040 28.098 -1.058 25460 264 1 1 . 1 1 53 53 ARG H H 53 9.303 9.303 9.198 0.105 25460 265 1 1 . 1 1 54 54 GLY N N 54 104.070 104.070 103.477 0.593 25460 266 1 1 . 1 1 54 54 GLY C C 54 174.110 174.110 173.870 0.240 25460 267 1 1 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.047 0.313 25460 268 1 1 . 1 1 54 54 GLY H H 54 8.714 8.714 8.437 0.277 25460 269 1 1 . 1 1 55 55 HIS N N 55 119.170 119.170 120.171 -1.001 25460 270 1 1 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.610 0.166 25460 271 1 1 . 1 1 55 55 HIS C C 55 172.310 172.310 173.479 -1.169 25460 272 1 1 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.300 -1.270 25460 273 1 1 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.688 0.412 25460 274 1 1 . 1 1 55 55 HIS H H 55 8.227 8.227 8.170 0.057 25460 275 1 1 . 1 1 56 56 GLU N N 56 119.640 119.640 121.982 -2.342 25460 276 1 1 . 1 1 56 56 GLU HA H 56 5.087 5.087 4.955 0.132 25460 277 1 1 . 1 1 56 56 GLU C C 56 176.150 176.150 175.422 0.728 25460 278 1 1 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.327 -0.237 25460 279 1 1 . 1 1 56 56 GLU CB C 56 31.780 31.780 31.056 0.724 25460 280 1 1 . 1 1 56 56 GLU H H 56 8.024 8.024 8.593 -0.569 25460 281 1 1 . 1 1 57 57 PHE N N 57 121.660 121.660 125.275 -3.615 25460 282 1 1 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.715 0.059 25460 283 1 1 . 1 1 57 57 PHE C C 57 173.930 173.930 174.480 -0.550 25460 284 1 1 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.687 -0.217 25460 285 1 1 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.955 0.495 25460 286 1 1 . 1 1 57 57 PHE H H 57 9.219 9.219 9.378 -0.159 25460 287 1 1 . 1 1 58 58 GLU N N 58 125.630 125.630 126.785 -1.155 25460 288 1 1 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.807 0.417 25460 289 1 1 . 1 1 58 58 GLU C C 58 175.820 175.820 175.761 0.059 25460 290 1 1 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.350 0.110 25460 291 1 1 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.864 0.086 25460 292 1 1 . 1 1 58 58 GLU H H 58 8.597 8.597 8.977 -0.380 25460 293 1 1 . 1 1 59 59 VAL N N 59 120.690 120.690 122.303 -1.613 25460 294 1 1 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.587 0.828 25460 295 1 1 . 1 1 59 59 VAL C C 59 174.790 174.790 173.874 0.916 25460 296 1 1 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.456 -0.906 25460 297 1 1 . 1 1 59 59 VAL CB C 59 34.150 34.150 35.305 -1.155 25460 298 1 1 . 1 1 59 59 VAL H H 59 8.809 8.809 9.034 -0.225 25460 299 1 1 . 1 1 60 60 GLU N N 60 118.570 118.570 123.325 -4.755 25460 300 1 1 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.828 -0.211 25460 301 1 1 . 1 1 60 60 GLU C C 60 176.050 176.050 175.510 0.540 25460 302 1 1 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.169 0.011 25460 303 1 1 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.596 -0.546 25460 304 1 1 . 1 1 60 60 GLU H H 60 8.024 8.024 8.795 -0.771 25460 305 1 1 . 1 1 61 61 ALA N N 61 132.630 132.630 131.461 1.169 25460 306 1 1 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.634 0.065 25460 307 1 1 . 1 1 61 61 ALA C C 61 176.260 176.260 176.505 -0.245 25460 308 1 1 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.539 -1.019 25460 309 1 1 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.594 -0.884 25460 310 1 1 . 1 1 61 61 ALA H H 61 8.230 8.230 8.847 -0.617 25460 311 1 1 . 1 1 62 62 LYS N N 62 126.080 126.080 121.191 4.889 25460 312 1 1 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.348 -0.350 25460 313 1 1 . 1 1 62 62 LYS C C 62 177.030 177.030 175.994 1.036 25460 314 1 1 . 1 1 62 62 LYS CA C 62 59.590 59.590 56.682 2.908 25460 315 1 1 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.158 1.382 25460 316 1 1 . 1 1 62 62 LYS H H 62 9.070 9.070 8.001 1.069 25460 317 1 1 . 1 1 63 63 ASP N N 63 110.550 110.550 119.436 -8.886 25460 318 1 1 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.797 -0.411 25460 319 1 1 . 1 1 63 63 ASP C C 63 175.810 175.810 176.608 -0.798 25460 320 1 1 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.874 0.276 25460 321 1 1 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.521 -2.271 25460 322 1 1 . 1 1 63 63 ASP H H 63 7.507 7.507 7.846 -0.339 25460 323 1 1 . 1 1 64 64 GLN N N 64 112.740 112.740 121.979 -9.239 25460 324 1 1 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.197 -0.097 25460 325 1 1 . 1 1 64 64 GLN C C 64 175.950 175.950 175.708 0.242 25460 326 1 1 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.640 0.050 25460 327 1 1 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.303 -0.463 25460 328 1 1 . 1 1 64 64 GLN H H 64 8.410 8.410 8.765 -0.355 25460 329 1 1 . 1 1 65 65 ASN N N 65 117.790 117.790 116.940 0.850 25460 330 1 1 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.862 -0.283 25460 331 1 1 . 1 1 65 65 ASN C C 65 177.250 177.250 175.028 2.222 25460 332 1 1 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.976 1.144 25460 333 1 1 . 1 1 65 65 ASN CB C 65 37.910 37.910 40.097 -2.187 25460 334 1 1 . 1 1 65 65 ASN H H 65 8.747 8.747 8.496 0.251 25460 335 1 1 . 1 1 66 66 CYS N N 66 112.640 112.640 116.577 -3.937 25460 336 1 1 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.182 0.243 25460 337 1 1 . 1 1 66 66 CYS C C 66 174.970 174.970 174.206 0.764 25460 338 1 1 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.745 -3.615 25460 339 1 1 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.791 11.369 25460 340 1 1 . 1 1 66 66 CYS H H 66 8.527 8.527 7.693 0.834 25460 341 1 1 . 1 1 67 67 LYS N N 67 116.240 116.240 120.344 -4.104 25460 342 1 1 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.105 0.072 25460 343 1 1 . 1 1 67 67 LYS C C 67 178.480 178.480 176.390 2.090 25460 344 1 1 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.789 1.071 25460 345 1 1 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.929 0.191 25460 346 1 1 . 1 1 67 67 LYS H H 67 8.014 8.014 7.926 0.088 25460 347 1 1 . 1 1 68 68 VAL N N 68 126.980 126.980 128.013 -1.033 25460 348 1 1 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.114 -0.439 25460 349 1 1 . 1 1 68 68 VAL C C 68 174.460 174.460 174.192 0.268 25460 350 1 1 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.914 2.836 25460 351 1 1 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.122 -1.962 25460 352 1 1 . 1 1 68 68 VAL H H 68 8.967 8.967 8.080 0.887 25460 353 1 1 . 1 1 69 69 ILE N N 69 132.540 132.540 129.467 3.073 25460 354 1 1 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.676 -0.497 25460 355 1 1 . 1 1 69 69 ILE C C 69 175.060 175.060 175.079 -0.019 25460 356 1 1 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.648 0.912 25460 357 1 1 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.739 0.751 25460 358 1 1 . 1 1 69 69 ILE H H 69 8.689 8.689 7.738 0.951 25460 359 1 1 . 1 1 70 70 LEU N N 70 125.290 125.290 127.500 -2.210 25460 360 1 1 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.783 0.515 25460 361 1 1 . 1 1 70 70 LEU C C 70 180.800 180.800 179.112 1.688 25460 362 1 1 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.627 -1.437 25460 363 1 1 . 1 1 70 70 LEU CB C 70 41.150 41.150 43.008 -1.858 25460 364 1 1 . 1 1 70 70 LEU H H 70 8.829 8.829 9.258 -0.429 25460 365 1 1 . 1 1 71 71 THR N N 71 115.510 115.510 115.493 0.017 25460 366 1 1 . 1 1 71 71 THR HA H 71 4.094 4.094 4.088 0.006 25460 367 1 1 . 1 1 71 71 THR C C 71 176.240 176.240 175.393 0.847 25460 368 1 1 . 1 1 71 71 THR CA C 71 63.950 63.950 65.647 -1.697 25460 369 1 1 . 1 1 71 71 THR CB C 71 68.280 68.280 68.580 -0.300 25460 370 1 1 . 1 1 71 71 THR H H 71 8.546 8.546 8.521 0.025 25460 371 1 1 . 1 1 72 72 ASN N N 72 117.010 117.010 116.866 0.144 25460 372 1 1 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.788 -0.224 25460 373 1 1 . 1 1 72 72 ASN C C 72 177.340 177.340 176.035 1.305 25460 374 1 1 . 1 1 72 72 ASN CA C 72 52.710 52.710 52.689 0.021 25460 375 1 1 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.607 -1.387 25460 376 1 1 . 1 1 72 72 ASN H H 72 8.162 8.162 7.872 0.290 25460 377 1 1 . 1 1 73 73 GLY N N 73 106.660 106.660 107.422 -0.762 25460 378 1 1 . 1 1 73 73 GLY C C 73 175.020 175.020 173.944 1.076 25460 379 1 1 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.045 0.655 25460 380 1 1 . 1 1 73 73 GLY H H 73 7.985 7.985 8.227 -0.242 25460 381 1 1 . 1 1 74 74 LYS N N 74 120.730 120.730 120.281 0.449 25460 382 1 1 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.455 -0.157 25460 383 1 1 . 1 1 74 74 LYS C C 74 175.720 175.720 176.444 -0.724 25460 384 1 1 . 1 1 74 74 LYS CA C 74 55.730 55.730 55.672 0.058 25460 385 1 1 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.077 -0.587 25460 386 1 1 . 1 1 74 74 LYS H H 74 7.820 7.820 7.731 0.089 25460 387 1 1 . 1 1 75 75 GLN N N 75 119.590 119.590 119.655 -0.065 25460 388 1 1 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.602 -0.446 25460 389 1 1 . 1 1 75 75 GLN C C 75 176.490 176.490 176.006 0.484 25460 390 1 1 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.308 0.272 25460 391 1 1 . 1 1 75 75 GLN CB C 75 29.020 29.020 30.003 -0.983 25460 392 1 1 . 1 1 75 75 GLN H H 75 8.273 8.273 8.492 -0.219 25460 393 1 1 . 1 1 76 76 ALA N N 76 129.340 129.340 125.766 3.574 25460 394 1 1 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.435 -0.269 25460 395 1 1 . 1 1 76 76 ALA C C 76 174.920 174.920 175.697 -0.777 25460 396 1 1 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.305 -0.225 25460 397 1 1 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.021 -0.141 25460 398 1 1 . 1 1 76 76 ALA H H 76 8.698 8.698 8.285 0.413 25460 399 1 1 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.228 0.009 25460 400 1 1 . 1 1 77 77 PRO C C 77 178.170 178.170 176.740 1.430 25460 401 1 1 . 1 1 77 77 PRO CA C 77 62.170 62.170 62.180 -0.010 25460 402 1 1 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.614 -0.144 25460 403 1 1 . 1 1 78 78 ASP N N 78 121.040 121.040 119.259 1.781 25460 404 1 1 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.341 -0.124 25460 405 1 1 . 1 1 78 78 ASP C C 78 176.610 176.610 176.314 0.296 25460 406 1 1 . 1 1 78 78 ASP CA C 78 56.500 56.500 55.855 0.645 25460 407 1 1 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.964 -0.434 25460 408 1 1 . 1 1 78 78 ASP H H 78 8.607 8.607 8.492 0.115 25460 409 1 1 . 1 1 79 79 TRP N N 79 114.440 114.440 113.554 0.886 25460 410 1 1 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.642 -0.150 25460 411 1 1 . 1 1 79 79 TRP C C 79 175.280 175.280 175.135 0.145 25460 412 1 1 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.566 -0.937 25460 413 1 1 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.109 0.031 25460 414 1 1 . 1 1 79 79 TRP H H 79 6.768 6.768 7.501 -0.733 25460 415 1 1 . 1 1 80 80 LEU N N 80 123.450 123.450 124.024 -0.574 25460 416 1 1 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.886 -0.125 25460 417 1 1 . 1 1 80 80 LEU C C 80 174.270 174.270 175.440 -1.170 25460 418 1 1 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.455 1.395 25460 419 1 1 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.532 0.358 25460 420 1 1 . 1 1 80 80 LEU H H 80 6.577 6.577 6.854 -0.277 25460 421 1 1 . 1 1 81 81 ALA N N 81 130.910 130.910 130.042 0.868 25460 422 1 1 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.679 -0.012 25460 423 1 1 . 1 1 81 81 ALA C C 81 175.210 175.210 175.391 -0.181 25460 424 1 1 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.628 -0.318 25460 425 1 1 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.300 0.970 25460 426 1 1 . 1 1 81 81 ALA H H 81 9.037 9.037 8.902 0.135 25460 427 1 1 . 1 1 82 82 ALA N N 82 119.120 119.120 124.060 -4.940 25460 428 1 1 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.142 0.535 25460 429 1 1 . 1 1 82 82 ALA C C 82 177.280 177.280 176.142 1.138 25460 430 1 1 . 1 1 82 82 ALA CA C 82 51.010 51.010 51.259 -0.249 25460 431 1 1 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.140 1.100 25460 432 1 1 . 1 1 82 82 ALA H H 82 8.159 8.159 8.337 -0.178 25460 433 1 1 . 1 1 83 83 GLU N N 83 116.910 116.910 122.818 -5.908 25460 434 1 1 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.886 0.052 25460 435 1 1 . 1 1 83 83 GLU C C 83 172.560 172.560 174.302 -1.742 25460 436 1 1 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.598 0.412 25460 437 1 1 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.697 0.773 25460 438 1 1 . 1 1 83 83 GLU H H 83 8.614 8.614 8.390 0.224 25460 439 1 1 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.546 0.967 25460 440 1 1 . 1 1 84 84 PRO C C 84 177.340 177.340 175.961 1.379 25460 441 1 1 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.420 -0.490 25460 442 1 1 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.899 0.521 25460 443 1 2 . 1 1 8 8 GLY N N 8 110.720 110.720 109.707 1.013 25460 444 1 2 . 1 1 8 8 GLY C C 8 174.650 174.650 174.141 0.509 25460 445 1 2 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.948 0.522 25460 446 1 2 . 1 1 8 8 GLY H H 8 8.462 8.462 8.594 -0.132 25460 447 1 2 . 1 1 9 9 ARG N N 9 120.430 120.430 121.268 -0.838 25460 448 1 2 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.438 -0.120 25460 449 1 2 . 1 1 9 9 ARG C C 9 176.790 176.790 175.550 1.240 25460 450 1 2 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.702 0.638 25460 451 1 2 . 1 1 9 9 ARG CB C 9 30.530 30.530 31.054 -0.524 25460 452 1 2 . 1 1 9 9 ARG H H 9 8.206 8.206 8.025 0.181 25460 453 1 2 . 1 1 10 10 GLU N N 10 121.220 121.220 120.148 1.072 25460 454 1 2 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.324 -0.114 25460 455 1 2 . 1 1 10 10 GLU C C 10 176.600 176.600 175.560 1.040 25460 456 1 2 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.364 0.906 25460 457 1 2 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.388 -0.608 25460 458 1 2 . 1 1 10 10 GLU H H 10 8.562 8.562 8.042 0.520 25460 459 1 2 . 1 1 11 11 ASN N N 11 118.900 118.900 119.219 -0.319 25460 460 1 2 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.881 -0.211 25460 461 1 2 . 1 1 11 11 ASN C C 11 175.420 175.420 175.030 0.390 25460 462 1 2 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.996 0.454 25460 463 1 2 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.595 -0.885 25460 464 1 2 . 1 1 11 11 ASN H H 11 8.337 8.337 8.508 -0.171 25460 465 1 2 . 1 1 12 12 LEU N N 12 121.830 121.830 125.251 -3.421 25460 466 1 2 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.533 -0.341 25460 467 1 2 . 1 1 12 12 LEU C C 12 177.290 177.290 175.756 1.534 25460 468 1 2 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.692 0.938 25460 469 1 2 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.245 1.015 25460 470 1 2 . 1 1 12 12 LEU H H 12 7.988 7.988 8.642 -0.654 25460 471 1 2 . 1 1 13 13 TYR N N 13 119.550 119.550 124.976 -5.426 25460 472 1 2 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.502 -0.004 25460 473 1 2 . 1 1 13 13 TYR C C 13 175.950 175.950 175.833 0.117 25460 474 1 2 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.742 0.188 25460 475 1 2 . 1 1 13 13 TYR CB C 13 38.590 38.590 39.536 -0.946 25460 476 1 2 . 1 1 13 13 TYR H H 13 7.966 7.966 8.217 -0.251 25460 477 1 2 . 1 1 14 14 PHE N N 14 121.130 121.130 122.718 -1.588 25460 478 1 2 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.996 -0.472 25460 479 1 2 . 1 1 14 14 PHE C C 14 175.820 175.820 174.252 1.568 25460 480 1 2 . 1 1 14 14 PHE CA C 14 57.950 57.950 56.211 1.739 25460 481 1 2 . 1 1 14 14 PHE CB C 14 39.510 39.510 40.593 -1.083 25460 482 1 2 . 1 1 14 14 PHE H H 14 8.006 8.006 7.852 0.154 25460 483 1 2 . 1 1 15 15 GLN N N 15 121.840 121.840 120.939 0.901 25460 484 1 2 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.507 -0.322 25460 485 1 2 . 1 1 15 15 GLN C C 15 176.420 176.420 175.654 0.766 25460 486 1 2 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.813 0.367 25460 487 1 2 . 1 1 15 15 GLN CB C 15 29.110 29.110 30.091 -0.981 25460 488 1 2 . 1 1 15 15 GLN H H 15 8.217 8.217 8.754 -0.537 25460 489 1 2 . 1 1 16 16 GLY N N 16 108.430 108.430 113.339 -4.909 25460 490 1 2 . 1 1 16 16 GLY C C 16 174.140 174.140 173.963 0.177 25460 491 1 2 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.621 0.689 25460 492 1 2 . 1 1 16 16 GLY H H 16 7.907 7.907 8.676 -0.769 25460 493 1 2 . 1 1 17 17 HIS N N 17 117.990 117.990 124.873 -6.883 25460 494 1 2 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.528 -0.651 25460 495 1 2 . 1 1 17 17 HIS C C 17 174.610 174.610 174.790 -0.180 25460 496 1 2 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.918 -0.488 25460 497 1 2 . 1 1 17 17 HIS CB C 17 29.280 29.280 30.610 -1.330 25460 498 1 2 . 1 1 17 17 HIS H H 17 8.250 8.250 8.001 0.249 25460 499 1 2 . 1 1 18 18 MET N N 18 121.430 121.430 125.570 -4.140 25460 500 1 2 . 1 1 18 18 MET HA H 18 4.395 4.395 4.600 -0.205 25460 501 1 2 . 1 1 18 18 MET C C 18 175.750 175.750 175.702 0.048 25460 502 1 2 . 1 1 18 18 MET CA C 18 55.660 55.660 54.620 1.040 25460 503 1 2 . 1 1 18 18 MET CB C 18 32.740 32.740 34.392 -1.652 25460 504 1 2 . 1 1 18 18 MET H H 18 8.320 8.320 8.440 -0.120 25460 505 1 2 . 1 1 19 19 ALA N N 19 125.550 125.550 128.129 -2.579 25460 506 1 2 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.610 -0.338 25460 507 1 2 . 1 1 19 19 ALA C C 19 176.950 176.950 176.182 0.768 25460 508 1 2 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.656 0.604 25460 509 1 2 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.121 1.009 25460 510 1 2 . 1 1 19 19 ALA H H 19 8.262 8.262 8.782 -0.520 25460 511 1 2 . 1 1 20 20 ALA N N 20 124.430 124.430 126.786 -2.356 25460 512 1 2 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.707 -0.171 25460 513 1 2 . 1 1 20 20 ALA C C 20 175.390 175.390 175.442 -0.052 25460 514 1 2 . 1 1 20 20 ALA CA C 20 50.100 50.100 49.485 0.615 25460 515 1 2 . 1 1 20 20 ALA CB C 20 18.420 18.420 19.362 -0.942 25460 516 1 2 . 1 1 20 20 ALA H H 20 8.083 8.083 7.474 0.609 25460 517 1 2 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.295 0.155 25460 518 1 2 . 1 1 21 21 PRO C C 21 175.770 175.770 176.149 -0.379 25460 519 1 2 . 1 1 21 21 PRO CA C 21 55.520 55.520 64.233 -8.713 25460 520 1 2 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.063 0.897 25460 521 1 2 . 1 1 22 22 ALA N N 22 124.420 124.420 122.104 2.316 25460 522 1 2 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.505 -0.172 25460 523 1 2 . 1 1 22 22 ALA C C 22 176.920 176.920 177.077 -0.157 25460 524 1 2 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.511 0.839 25460 525 1 2 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.389 -0.199 25460 526 1 2 . 1 1 22 22 ALA H H 22 8.235 8.235 7.860 0.375 25460 527 1 2 . 1 1 23 23 ARG N N 23 120.140 120.140 121.369 -1.229 25460 528 1 2 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.472 -0.129 25460 529 1 2 . 1 1 23 23 ARG C C 23 176.220 176.220 175.157 1.063 25460 530 1 2 . 1 1 23 23 ARG CA C 23 57.000 57.000 55.920 1.080 25460 531 1 2 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.885 1.605 25460 532 1 2 . 1 1 23 23 ARG H H 23 9.271 9.271 8.779 0.492 25460 533 1 2 . 1 1 24 24 PHE N N 24 119.130 119.130 117.748 1.382 25460 534 1 2 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.659 -0.277 25460 535 1 2 . 1 1 24 24 PHE C C 24 175.910 175.910 174.514 1.396 25460 536 1 2 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.697 0.153 25460 537 1 2 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.853 -0.293 25460 538 1 2 . 1 1 24 24 PHE H H 24 9.270 9.270 8.015 1.255 25460 539 1 2 . 1 1 25 25 CYS N N 25 116.300 116.300 119.599 -3.299 25460 540 1 2 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.325 -0.006 25460 541 1 2 . 1 1 25 25 CYS C C 25 172.990 172.990 174.009 -1.019 25460 542 1 2 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.937 -3.737 25460 543 1 2 . 1 1 25 25 CYS CB C 25 39.740 39.740 29.620 10.120 25460 544 1 2 . 1 1 25 25 CYS H H 25 9.254 9.254 9.106 0.148 25460 545 1 2 . 1 1 26 26 VAL N N 26 126.290 126.290 123.127 3.163 25460 546 1 2 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.216 0.166 25460 547 1 2 . 1 1 26 26 VAL C C 26 174.520 174.520 174.985 -0.465 25460 548 1 2 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.704 0.036 25460 549 1 2 . 1 1 26 26 VAL CB C 26 32.380 32.380 31.646 0.734 25460 550 1 2 . 1 1 26 26 VAL H H 26 9.512 9.512 9.115 0.397 25460 551 1 2 . 1 1 27 27 TYR N N 27 123.620 123.620 127.287 -3.667 25460 552 1 2 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.440 -0.296 25460 553 1 2 . 1 1 27 27 TYR C C 27 175.400 175.400 175.179 0.221 25460 554 1 2 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.026 1.075 25460 555 1 2 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.600 0.260 25460 556 1 2 . 1 1 27 27 TYR H H 27 8.240 8.240 8.963 -0.723 25460 557 1 2 . 1 1 28 28 TYR N N 28 119.740 119.740 120.237 -0.497 25460 558 1 2 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.430 -0.157 25460 559 1 2 . 1 1 28 28 TYR C C 28 174.590 174.590 174.659 -0.069 25460 560 1 2 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.218 0.682 25460 561 1 2 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.750 1.340 25460 562 1 2 . 1 1 28 28 TYR H H 28 9.448 9.448 9.253 0.195 25460 563 1 2 . 1 1 29 29 ASP N N 29 118.650 118.650 122.860 -4.210 25460 564 1 2 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.316 -0.061 25460 565 1 2 . 1 1 29 29 ASP C C 29 177.670 177.670 175.973 1.697 25460 566 1 2 . 1 1 29 29 ASP CA C 29 52.800 52.800 53.187 -0.387 25460 567 1 2 . 1 1 29 29 ASP CB C 29 41.350 41.350 42.084 -0.734 25460 568 1 2 . 1 1 29 29 ASP H H 29 8.995 8.995 9.049 -0.054 25460 569 1 2 . 1 1 30 30 GLY N N 30 114.740 114.740 115.758 -1.018 25460 570 1 2 . 1 1 30 30 GLY C C 30 173.320 173.320 172.745 0.575 25460 571 1 2 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.312 -1.202 25460 572 1 2 . 1 1 30 30 GLY H H 30 9.046 9.046 9.001 0.045 25460 573 1 2 . 1 1 31 31 HIS N N 31 113.880 113.880 116.051 -2.171 25460 574 1 2 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.707 -0.214 25460 575 1 2 . 1 1 31 31 HIS C C 31 175.230 175.230 174.494 0.736 25460 576 1 2 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.510 0.471 25460 577 1 2 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.310 0.320 25460 578 1 2 . 1 1 31 31 HIS H H 31 8.306 8.306 8.536 -0.230 25460 579 1 2 . 1 1 32 32 LEU N N 32 124.060 124.060 123.832 0.228 25460 580 1 2 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.659 0.165 25460 581 1 2 . 1 1 32 32 LEU C C 32 176.030 176.030 175.010 1.020 25460 582 1 2 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.344 1.736 25460 583 1 2 . 1 1 32 32 LEU CB C 32 41.540 41.540 44.179 -2.639 25460 584 1 2 . 1 1 32 32 LEU H H 32 8.477 8.477 7.465 1.012 25460 585 1 2 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.225 -0.472 25460 586 1 2 . 1 1 33 33 PRO C C 33 177.880 177.880 177.634 0.246 25460 587 1 2 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.506 0.994 25460 588 1 2 . 1 1 33 33 PRO CB C 33 31.770 31.770 32.012 -0.242 25460 589 1 2 . 1 1 34 34 ALA N N 34 115.220 115.220 120.429 -5.209 25460 590 1 2 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.390 -0.197 25460 591 1 2 . 1 1 34 34 ALA C C 34 179.120 179.120 178.275 0.845 25460 592 1 2 . 1 1 34 34 ALA CA C 34 54.610 54.610 54.355 0.255 25460 593 1 2 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.966 0.464 25460 594 1 2 . 1 1 34 34 ALA H H 34 8.193 8.193 7.990 0.203 25460 595 1 2 . 1 1 35 35 THR N N 35 102.120 102.120 110.107 -7.987 25460 596 1 2 . 1 1 35 35 THR HA H 35 4.597 4.597 4.340 0.257 25460 597 1 2 . 1 1 35 35 THR C C 35 175.610 175.610 175.078 0.532 25460 598 1 2 . 1 1 35 35 THR CA C 35 60.400 60.400 61.070 -0.670 25460 599 1 2 . 1 1 35 35 THR CB C 35 70.550 70.550 69.462 1.088 25460 600 1 2 . 1 1 35 35 THR H H 35 7.187 7.187 7.496 -0.309 25460 601 1 2 . 1 1 36 36 ARG N N 36 122.520 122.520 122.990 -0.470 25460 602 1 2 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.451 0.312 25460 603 1 2 . 1 1 36 36 ARG C C 36 175.220 175.220 175.082 0.138 25460 604 1 2 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.169 0.921 25460 605 1 2 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.175 -0.295 25460 606 1 2 . 1 1 36 36 ARG H H 36 7.918 7.918 7.487 0.431 25460 607 1 2 . 1 1 37 37 VAL N N 37 122.110 122.110 125.303 -3.193 25460 608 1 2 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.295 0.046 25460 609 1 2 . 1 1 37 37 VAL C C 37 175.690 175.690 175.112 0.578 25460 610 1 2 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.834 0.496 25460 611 1 2 . 1 1 37 37 VAL CB C 37 35.050 35.050 32.597 2.453 25460 612 1 2 . 1 1 37 37 VAL H H 37 8.603 8.603 8.912 -0.309 25460 613 1 2 . 1 1 38 38 LEU N N 38 130.470 130.470 130.406 0.064 25460 614 1 2 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.143 -0.374 25460 615 1 2 . 1 1 38 38 LEU C C 38 176.510 176.510 176.048 0.462 25460 616 1 2 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.089 1.281 25460 617 1 2 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.351 0.469 25460 618 1 2 . 1 1 38 38 LEU H H 38 8.708 8.708 8.859 -0.151 25460 619 1 2 . 1 1 39 39 LEU N N 39 126.440 126.440 129.333 -2.893 25460 620 1 2 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.337 0.290 25460 621 1 2 . 1 1 39 39 LEU C C 39 176.800 176.800 177.238 -0.438 25460 622 1 2 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.135 -0.405 25460 623 1 2 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.922 -0.592 25460 624 1 2 . 1 1 39 39 LEU H H 39 9.254 9.254 9.000 0.254 25460 625 1 2 . 1 1 40 40 MET N N 40 114.550 114.550 111.173 3.377 25460 626 1 2 . 1 1 40 40 MET HA H 40 4.471 4.471 4.621 -0.150 25460 627 1 2 . 1 1 40 40 MET C C 40 173.750 173.750 173.492 0.258 25460 628 1 2 . 1 1 40 40 MET CA C 40 56.040 56.040 54.808 1.232 25460 629 1 2 . 1 1 40 40 MET CB C 40 36.880 36.880 35.084 1.796 25460 630 1 2 . 1 1 40 40 MET H H 40 7.054 7.054 7.491 -0.437 25460 631 1 2 . 1 1 41 41 TYR N N 41 123.270 123.270 118.981 4.289 25460 632 1 2 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.597 -0.784 25460 633 1 2 . 1 1 41 41 TYR C C 41 175.680 175.680 176.097 -0.417 25460 634 1 2 . 1 1 41 41 TYR CA C 41 57.940 57.940 56.733 1.207 25460 635 1 2 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.778 -0.318 25460 636 1 2 . 1 1 41 41 TYR H H 41 8.563 8.563 8.439 0.124 25460 637 1 2 . 1 1 42 42 VAL N N 42 123.930 123.930 122.758 1.172 25460 638 1 2 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.483 -0.074 25460 639 1 2 . 1 1 42 42 VAL C C 42 175.600 175.600 175.378 0.222 25460 640 1 2 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.803 0.677 25460 641 1 2 . 1 1 42 42 VAL CB C 42 35.310 35.310 34.469 0.841 25460 642 1 2 . 1 1 42 42 VAL H H 42 9.442 9.442 9.291 0.151 25460 643 1 2 . 1 1 43 43 ARG N N 43 129.290 129.290 127.795 1.495 25460 644 1 2 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.101 -0.177 25460 645 1 2 . 1 1 43 43 ARG C C 43 177.010 177.010 176.416 0.594 25460 646 1 2 . 1 1 43 43 ARG CA C 43 56.760 56.760 54.719 2.041 25460 647 1 2 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.061 -0.081 25460 648 1 2 . 1 1 43 43 ARG H H 43 8.940 8.940 8.827 0.113 25460 649 1 2 . 1 1 44 44 ILE N N 44 128.260 128.260 127.190 1.070 25460 650 1 2 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.674 0.012 25460 651 1 2 . 1 1 44 44 ILE C C 44 177.020 177.020 176.183 0.837 25460 652 1 2 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.030 2.900 25460 653 1 2 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.532 1.708 25460 654 1 2 . 1 1 44 44 ILE H H 44 8.345 8.345 8.378 -0.033 25460 655 1 2 . 1 1 45 45 GLY N N 45 115.530 115.530 114.706 0.824 25460 656 1 2 . 1 1 45 45 GLY C C 45 174.860 174.860 173.186 1.674 25460 657 1 2 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.663 -0.423 25460 658 1 2 . 1 1 45 45 GLY H H 45 9.423 9.423 8.948 0.475 25460 659 1 2 . 1 1 46 46 THR N N 46 111.410 111.410 112.377 -0.967 25460 660 1 2 . 1 1 46 46 THR HA H 46 4.974 4.974 4.716 0.258 25460 661 1 2 . 1 1 46 46 THR C C 46 172.310 172.310 173.428 -1.118 25460 662 1 2 . 1 1 46 46 THR CA C 46 60.280 60.280 59.363 0.917 25460 663 1 2 . 1 1 46 46 THR CB C 46 72.160 72.160 71.499 0.661 25460 664 1 2 . 1 1 46 46 THR H H 46 7.925 7.925 7.853 0.072 25460 665 1 2 . 1 1 47 47 THR N N 47 109.430 109.430 113.336 -3.906 25460 666 1 2 . 1 1 47 47 THR HA H 47 5.383 5.383 5.246 0.137 25460 667 1 2 . 1 1 47 47 THR C C 47 174.560 174.560 173.984 0.576 25460 668 1 2 . 1 1 47 47 THR CA C 47 59.240 59.240 60.315 -1.075 25460 669 1 2 . 1 1 47 47 THR CB C 47 71.840 71.840 70.601 1.239 25460 670 1 2 . 1 1 47 47 THR H H 47 7.784 7.784 8.354 -0.570 25460 671 1 2 . 1 1 48 48 ALA N N 48 122.630 122.630 123.651 -1.021 25460 672 1 2 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.585 0.073 25460 673 1 2 . 1 1 48 48 ALA C C 48 175.620 175.620 175.234 0.386 25460 674 1 2 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.664 -0.064 25460 675 1 2 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.073 2.337 25460 676 1 2 . 1 1 48 48 ALA H H 48 8.681 8.681 8.914 -0.233 25460 677 1 2 . 1 1 49 49 THR N N 49 116.020 116.020 118.571 -2.551 25460 678 1 2 . 1 1 49 49 THR HA H 49 4.914 4.914 4.718 0.196 25460 679 1 2 . 1 1 49 49 THR C C 49 174.400 174.400 174.267 0.133 25460 680 1 2 . 1 1 49 49 THR CA C 49 62.320 62.320 61.666 0.653 25460 681 1 2 . 1 1 49 49 THR CB C 49 69.260 69.260 69.059 0.201 25460 682 1 2 . 1 1 49 49 THR H H 49 8.347 8.347 8.360 -0.013 25460 683 1 2 . 1 1 50 50 ILE N N 50 126.050 126.050 129.699 -3.649 25460 684 1 2 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.296 0.140 25460 685 1 2 . 1 1 50 50 ILE C C 50 175.080 175.080 175.478 -0.398 25460 686 1 2 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.809 0.701 25460 687 1 2 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.713 1.957 25460 688 1 2 . 1 1 50 50 ILE H H 50 9.199 9.199 9.046 0.153 25460 689 1 2 . 1 1 51 51 THR N N 51 120.630 120.630 123.262 -2.632 25460 690 1 2 . 1 1 51 51 THR HA H 51 5.312 5.312 5.483 -0.171 25460 691 1 2 . 1 1 51 51 THR C C 51 174.250 174.250 173.298 0.952 25460 692 1 2 . 1 1 51 51 THR CA C 51 61.030 61.030 61.213 -0.183 25460 693 1 2 . 1 1 51 51 THR CB C 51 69.850 69.850 69.469 0.381 25460 694 1 2 . 1 1 51 51 THR H H 51 8.500 8.500 8.615 -0.115 25460 695 1 2 . 1 1 52 52 ALA N N 52 127.710 127.710 127.397 0.313 25460 696 1 2 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.868 -0.157 25460 697 1 2 . 1 1 52 52 ALA C C 52 176.530 176.530 177.197 -0.667 25460 698 1 2 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.523 0.457 25460 699 1 2 . 1 1 52 52 ALA CB C 52 22.720 22.720 22.209 0.511 25460 700 1 2 . 1 1 52 52 ALA H H 52 9.202 9.202 9.310 -0.108 25460 701 1 2 . 1 1 53 53 ARG N N 53 118.780 118.780 122.069 -3.289 25460 702 1 2 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.908 -0.052 25460 703 1 2 . 1 1 53 53 ARG C C 53 177.070 177.070 175.734 1.336 25460 704 1 2 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.577 0.453 25460 705 1 2 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.942 -0.902 25460 706 1 2 . 1 1 53 53 ARG H H 53 9.303 9.303 9.175 0.128 25460 707 1 2 . 1 1 54 54 GLY N N 54 104.070 104.070 103.240 0.830 25460 708 1 2 . 1 1 54 54 GLY C C 54 174.110 174.110 173.883 0.227 25460 709 1 2 . 1 1 54 54 GLY CA C 54 45.360 45.360 44.974 0.386 25460 710 1 2 . 1 1 54 54 GLY H H 54 8.714 8.714 8.390 0.324 25460 711 1 2 . 1 1 55 55 HIS N N 55 119.170 119.170 120.377 -1.207 25460 712 1 2 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.612 0.164 25460 713 1 2 . 1 1 55 55 HIS C C 55 172.310 172.310 173.657 -1.347 25460 714 1 2 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.161 -1.131 25460 715 1 2 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.241 0.858 25460 716 1 2 . 1 1 55 55 HIS H H 55 8.227 8.227 8.096 0.131 25460 717 1 2 . 1 1 56 56 GLU N N 56 119.640 119.640 121.984 -2.344 25460 718 1 2 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.088 -0.001 25460 719 1 2 . 1 1 56 56 GLU C C 56 176.150 176.150 175.606 0.544 25460 720 1 2 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.228 -0.138 25460 721 1 2 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.761 1.019 25460 722 1 2 . 1 1 56 56 GLU H H 56 8.024 8.024 8.631 -0.607 25460 723 1 2 . 1 1 57 57 PHE N N 57 121.660 121.660 125.060 -3.400 25460 724 1 2 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.708 0.066 25460 725 1 2 . 1 1 57 57 PHE C C 57 173.930 173.930 174.788 -0.858 25460 726 1 2 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.814 -0.344 25460 727 1 2 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.228 1.222 25460 728 1 2 . 1 1 57 57 PHE H H 57 9.219 9.219 9.333 -0.114 25460 729 1 2 . 1 1 58 58 GLU N N 58 125.630 125.630 126.620 -0.990 25460 730 1 2 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.771 0.453 25460 731 1 2 . 1 1 58 58 GLU C C 58 175.820 175.820 175.774 0.046 25460 732 1 2 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.352 0.108 25460 733 1 2 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.751 0.199 25460 734 1 2 . 1 1 58 58 GLU H H 58 8.597 8.597 8.954 -0.357 25460 735 1 2 . 1 1 59 59 VAL N N 59 120.690 120.690 120.474 0.216 25460 736 1 2 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.802 0.613 25460 737 1 2 . 1 1 59 59 VAL C C 59 174.790 174.790 174.034 0.756 25460 738 1 2 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.435 -0.885 25460 739 1 2 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.830 -0.679 25460 740 1 2 . 1 1 59 59 VAL H H 59 8.809 8.809 9.160 -0.351 25460 741 1 2 . 1 1 60 60 GLU N N 60 118.570 118.570 124.091 -5.521 25460 742 1 2 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.642 -0.025 25460 743 1 2 . 1 1 60 60 GLU C C 60 176.050 176.050 175.458 0.592 25460 744 1 2 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.237 -0.057 25460 745 1 2 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.607 -0.557 25460 746 1 2 . 1 1 60 60 GLU H H 60 8.024 8.024 8.958 -0.934 25460 747 1 2 . 1 1 61 61 ALA N N 61 132.630 132.630 131.976 0.654 25460 748 1 2 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.596 0.103 25460 749 1 2 . 1 1 61 61 ALA C C 61 176.260 176.260 176.872 -0.612 25460 750 1 2 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.337 -0.817 25460 751 1 2 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.565 -0.855 25460 752 1 2 . 1 1 61 61 ALA H H 61 8.230 8.230 8.943 -0.713 25460 753 1 2 . 1 1 62 62 LYS N N 62 126.080 126.080 123.228 2.852 25460 754 1 2 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.112 -0.114 25460 755 1 2 . 1 1 62 62 LYS C C 62 177.030 177.030 176.424 0.606 25460 756 1 2 . 1 1 62 62 LYS CA C 62 59.590 59.590 58.685 0.905 25460 757 1 2 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.978 1.562 25460 758 1 2 . 1 1 62 62 LYS H H 62 9.070 9.070 7.849 1.221 25460 759 1 2 . 1 1 63 63 ASP N N 63 110.550 110.550 115.833 -5.283 25460 760 1 2 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.893 -0.507 25460 761 1 2 . 1 1 63 63 ASP C C 63 175.810 175.810 176.847 -1.037 25460 762 1 2 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.250 0.900 25460 763 1 2 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.955 -2.705 25460 764 1 2 . 1 1 63 63 ASP H H 63 7.507 7.507 7.641 -0.134 25460 765 1 2 . 1 1 64 64 GLN N N 64 112.740 112.740 122.527 -9.787 25460 766 1 2 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.050 0.050 25460 767 1 2 . 1 1 64 64 GLN C C 64 175.950 175.950 176.274 -0.324 25460 768 1 2 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.687 0.003 25460 769 1 2 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.290 -0.450 25460 770 1 2 . 1 1 64 64 GLN H H 64 8.410 8.410 8.775 -0.365 25460 771 1 2 . 1 1 65 65 ASN N N 65 117.790 117.790 117.941 -0.151 25460 772 1 2 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.661 -0.082 25460 773 1 2 . 1 1 65 65 ASN C C 65 177.250 177.250 175.768 1.482 25460 774 1 2 . 1 1 65 65 ASN CA C 65 55.120 55.120 54.230 0.890 25460 775 1 2 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.626 -1.716 25460 776 1 2 . 1 1 65 65 ASN H H 65 8.747 8.747 8.324 0.423 25460 777 1 2 . 1 1 66 66 CYS N N 66 112.640 112.640 116.272 -3.632 25460 778 1 2 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.166 0.259 25460 779 1 2 . 1 1 66 66 CYS C C 66 174.970 174.970 173.890 1.080 25460 780 1 2 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.790 -3.660 25460 781 1 2 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.570 11.590 25460 782 1 2 . 1 1 66 66 CYS H H 66 8.527 8.527 7.885 0.642 25460 783 1 2 . 1 1 67 67 LYS N N 67 116.240 116.240 120.531 -4.291 25460 784 1 2 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.157 0.020 25460 785 1 2 . 1 1 67 67 LYS C C 67 178.480 178.480 176.343 2.137 25460 786 1 2 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.544 1.315 25460 787 1 2 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.648 0.472 25460 788 1 2 . 1 1 67 67 LYS H H 67 8.014 8.014 7.898 0.116 25460 789 1 2 . 1 1 68 68 VAL N N 68 126.980 126.980 127.400 -0.420 25460 790 1 2 . 1 1 68 68 VAL HA H 68 3.675 3.675 3.974 -0.299 25460 791 1 2 . 1 1 68 68 VAL C C 68 174.460 174.460 174.632 -0.172 25460 792 1 2 . 1 1 68 68 VAL CA C 68 64.750 64.750 63.310 1.440 25460 793 1 2 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.970 -1.810 25460 794 1 2 . 1 1 68 68 VAL H H 68 8.967 8.967 7.990 0.977 25460 795 1 2 . 1 1 69 69 ILE N N 69 132.540 132.540 128.510 4.030 25460 796 1 2 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.606 -0.427 25460 797 1 2 . 1 1 69 69 ILE C C 69 175.060 175.060 174.809 0.251 25460 798 1 2 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.733 0.827 25460 799 1 2 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.916 0.574 25460 800 1 2 . 1 1 69 69 ILE H H 69 8.689 8.689 7.970 0.719 25460 801 1 2 . 1 1 70 70 LEU N N 70 125.290 125.290 127.228 -1.938 25460 802 1 2 . 1 1 70 70 LEU HA H 70 5.298 5.298 5.047 0.251 25460 803 1 2 . 1 1 70 70 LEU C C 70 180.800 180.800 178.937 1.863 25460 804 1 2 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.035 -0.845 25460 805 1 2 . 1 1 70 70 LEU CB C 70 41.150 41.150 43.355 -2.205 25460 806 1 2 . 1 1 70 70 LEU H H 70 8.829 8.829 9.297 -0.468 25460 807 1 2 . 1 1 71 71 THR N N 71 115.510 115.510 113.747 1.763 25460 808 1 2 . 1 1 71 71 THR HA H 71 4.094 4.094 4.249 -0.155 25460 809 1 2 . 1 1 71 71 THR C C 71 176.240 176.240 175.827 0.413 25460 810 1 2 . 1 1 71 71 THR CA C 71 63.950 63.950 64.594 -0.644 25460 811 1 2 . 1 1 71 71 THR CB C 71 68.280 68.280 68.778 -0.498 25460 812 1 2 . 1 1 71 71 THR H H 71 8.546 8.546 8.808 -0.262 25460 813 1 2 . 1 1 72 72 ASN N N 72 117.010 117.010 118.420 -1.410 25460 814 1 2 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.757 -0.193 25460 815 1 2 . 1 1 72 72 ASN C C 72 177.340 177.340 175.663 1.677 25460 816 1 2 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.407 -0.697 25460 817 1 2 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.740 -1.520 25460 818 1 2 . 1 1 72 72 ASN H H 72 8.162 8.162 8.188 -0.026 25460 819 1 2 . 1 1 73 73 GLY N N 73 106.660 106.660 107.944 -1.284 25460 820 1 2 . 1 1 73 73 GLY C C 73 175.020 175.020 173.753 1.267 25460 821 1 2 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.420 0.280 25460 822 1 2 . 1 1 73 73 GLY H H 73 7.985 7.985 7.978 0.007 25460 823 1 2 . 1 1 74 74 LYS N N 74 120.730 120.730 119.617 1.113 25460 824 1 2 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.513 -0.215 25460 825 1 2 . 1 1 74 74 LYS C C 74 175.720 175.720 176.239 -0.519 25460 826 1 2 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.806 0.924 25460 827 1 2 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.403 -0.913 25460 828 1 2 . 1 1 74 74 LYS H H 74 7.820 7.820 7.717 0.103 25460 829 1 2 . 1 1 75 75 GLN N N 75 119.590 119.590 120.804 -1.214 25460 830 1 2 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.711 -0.555 25460 831 1 2 . 1 1 75 75 GLN C C 75 176.490 176.490 174.742 1.748 25460 832 1 2 . 1 1 75 75 GLN CA C 75 55.580 55.580 54.861 0.719 25460 833 1 2 . 1 1 75 75 GLN CB C 75 29.020 29.020 29.385 -0.365 25460 834 1 2 . 1 1 75 75 GLN H H 75 8.273 8.273 8.788 -0.515 25460 835 1 2 . 1 1 76 76 ALA N N 76 129.340 129.340 121.209 8.131 25460 836 1 2 . 1 1 76 76 ALA HA H 76 4.166 4.166 3.943 0.223 25460 837 1 2 . 1 1 76 76 ALA C C 76 174.920 174.920 174.911 0.009 25460 838 1 2 . 1 1 76 76 ALA CA C 76 50.080 50.080 51.465 -1.385 25460 839 1 2 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.645 0.235 25460 840 1 2 . 1 1 76 76 ALA H H 76 8.698 8.698 7.640 1.058 25460 841 1 2 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.382 -0.145 25460 842 1 2 . 1 1 77 77 PRO C C 77 178.170 178.170 177.003 1.167 25460 843 1 2 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.707 0.463 25460 844 1 2 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.435 0.035 25460 845 1 2 . 1 1 78 78 ASP N N 78 121.040 121.040 117.284 3.756 25460 846 1 2 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.311 -0.094 25460 847 1 2 . 1 1 78 78 ASP C C 78 176.610 176.610 175.728 0.882 25460 848 1 2 . 1 1 78 78 ASP CA C 78 56.500 56.500 55.863 0.637 25460 849 1 2 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.405 0.125 25460 850 1 2 . 1 1 78 78 ASP H H 78 8.607 8.607 8.597 0.010 25460 851 1 2 . 1 1 79 79 TRP N N 79 114.440 114.440 114.037 0.403 25460 852 1 2 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.844 -0.352 25460 853 1 2 . 1 1 79 79 TRP C C 79 175.280 175.280 174.699 0.581 25460 854 1 2 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.046 -0.416 25460 855 1 2 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.910 -0.770 25460 856 1 2 . 1 1 79 79 TRP H H 79 6.768 6.768 7.080 -0.312 25460 857 1 2 . 1 1 80 80 LEU N N 80 123.450 123.450 124.834 -1.384 25460 858 1 2 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.960 -0.199 25460 859 1 2 . 1 1 80 80 LEU C C 80 174.270 174.270 175.314 -1.044 25460 860 1 2 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.642 1.208 25460 861 1 2 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.875 0.015 25460 862 1 2 . 1 1 80 80 LEU H H 80 6.577 6.577 6.974 -0.397 25460 863 1 2 . 1 1 81 81 ALA N N 81 130.910 130.910 130.037 0.873 25460 864 1 2 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.682 -0.015 25460 865 1 2 . 1 1 81 81 ALA C C 81 175.210 175.210 175.279 -0.069 25460 866 1 2 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.570 -0.260 25460 867 1 2 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.507 0.763 25460 868 1 2 . 1 1 81 81 ALA H H 81 9.037 9.037 9.030 0.007 25460 869 1 2 . 1 1 82 82 ALA N N 82 119.120 119.120 124.788 -5.668 25460 870 1 2 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.220 0.457 25460 871 1 2 . 1 1 82 82 ALA C C 82 177.280 177.280 176.577 0.703 25460 872 1 2 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.905 0.105 25460 873 1 2 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.100 1.140 25460 874 1 2 . 1 1 82 82 ALA H H 82 8.159 8.159 8.398 -0.239 25460 875 1 2 . 1 1 83 83 GLU N N 83 116.910 116.910 122.497 -5.587 25460 876 1 2 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.854 0.084 25460 877 1 2 . 1 1 83 83 GLU C C 83 172.560 172.560 174.098 -1.538 25460 878 1 2 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.784 0.226 25460 879 1 2 . 1 1 83 83 GLU CB C 83 32.470 32.470 32.120 0.350 25460 880 1 2 . 1 1 83 83 GLU H H 83 8.614 8.614 8.523 0.091 25460 881 1 2 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.491 1.022 25460 882 1 2 . 1 1 84 84 PRO C C 84 177.340 177.340 175.904 1.436 25460 883 1 2 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.449 -0.519 25460 884 1 2 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.936 0.484 25460 885 1 3 . 1 1 8 8 GLY N N 8 110.720 110.720 111.213 -0.493 25460 886 1 3 . 1 1 8 8 GLY C C 8 174.650 174.650 174.068 0.582 25460 887 1 3 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.731 0.739 25460 888 1 3 . 1 1 8 8 GLY H H 8 8.462 8.462 8.494 -0.032 25460 889 1 3 . 1 1 9 9 ARG N N 9 120.430 120.430 120.441 -0.011 25460 890 1 3 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.423 -0.105 25460 891 1 3 . 1 1 9 9 ARG C C 9 176.790 176.790 176.128 0.662 25460 892 1 3 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.704 0.636 25460 893 1 3 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.728 -0.198 25460 894 1 3 . 1 1 9 9 ARG H H 9 8.206 8.206 8.619 -0.413 25460 895 1 3 . 1 1 10 10 GLU N N 10 121.220 121.220 120.022 1.198 25460 896 1 3 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.111 0.099 25460 897 1 3 . 1 1 10 10 GLU C C 10 176.600 176.600 176.248 0.352 25460 898 1 3 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.916 0.354 25460 899 1 3 . 1 1 10 10 GLU CB C 10 29.780 29.780 29.412 0.368 25460 900 1 3 . 1 1 10 10 GLU H H 10 8.562 8.562 8.564 -0.002 25460 901 1 3 . 1 1 11 11 ASN N N 11 118.900 118.900 117.215 1.685 25460 902 1 3 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.353 0.317 25460 903 1 3 . 1 1 11 11 ASN C C 11 175.420 175.420 174.653 0.767 25460 904 1 3 . 1 1 11 11 ASN CA C 11 53.450 53.450 53.776 -0.326 25460 905 1 3 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.827 -0.117 25460 906 1 3 . 1 1 11 11 ASN H H 11 8.337 8.337 7.870 0.467 25460 907 1 3 . 1 1 12 12 LEU N N 12 121.830 121.830 122.614 -0.784 25460 908 1 3 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.185 0.007 25460 909 1 3 . 1 1 12 12 LEU C C 12 177.290 177.290 175.059 2.231 25460 910 1 3 . 1 1 12 12 LEU CA C 12 55.630 55.630 53.877 1.754 25460 911 1 3 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.589 0.671 25460 912 1 3 . 1 1 12 12 LEU H H 12 7.988 7.988 6.994 0.994 25460 913 1 3 . 1 1 13 13 TYR N N 13 119.550 119.550 126.767 -7.217 25460 914 1 3 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.254 0.244 25460 915 1 3 . 1 1 13 13 TYR C C 13 175.950 175.950 176.034 -0.084 25460 916 1 3 . 1 1 13 13 TYR CA C 13 57.930 57.930 58.123 -0.193 25460 917 1 3 . 1 1 13 13 TYR CB C 13 38.590 38.590 37.683 0.907 25460 918 1 3 . 1 1 13 13 TYR H H 13 7.966 7.966 7.865 0.101 25460 919 1 3 . 1 1 14 14 PHE N N 14 121.130 121.130 123.301 -2.171 25460 920 1 3 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.419 0.105 25460 921 1 3 . 1 1 14 14 PHE C C 14 175.820 175.820 176.440 -0.620 25460 922 1 3 . 1 1 14 14 PHE CA C 14 57.950 57.950 58.672 -0.722 25460 923 1 3 . 1 1 14 14 PHE CB C 14 39.510 39.510 39.361 0.149 25460 924 1 3 . 1 1 14 14 PHE H H 14 8.006 8.006 8.530 -0.524 25460 925 1 3 . 1 1 15 15 GLN N N 15 121.840 121.840 126.118 -4.278 25460 926 1 3 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.319 -0.134 25460 927 1 3 . 1 1 15 15 GLN C C 15 176.420 176.420 176.441 -0.021 25460 928 1 3 . 1 1 15 15 GLN CA C 15 56.180 56.180 56.005 0.174 25460 929 1 3 . 1 1 15 15 GLN CB C 15 29.110 29.110 27.333 1.777 25460 930 1 3 . 1 1 15 15 GLN H H 15 8.217 8.217 8.865 -0.648 25460 931 1 3 . 1 1 16 16 GLY N N 16 108.430 108.430 110.256 -1.826 25460 932 1 3 . 1 1 16 16 GLY C C 16 174.140 174.140 173.004 1.136 25460 933 1 3 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.362 0.948 25460 934 1 3 . 1 1 16 16 GLY H H 16 7.907 7.907 7.938 -0.031 25460 935 1 3 . 1 1 17 17 HIS N N 17 117.990 117.990 120.819 -2.829 25460 936 1 3 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.516 -0.639 25460 937 1 3 . 1 1 17 17 HIS C C 17 174.610 174.610 174.672 -0.062 25460 938 1 3 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.947 -0.516 25460 939 1 3 . 1 1 17 17 HIS CB C 17 29.280 29.280 29.965 -0.685 25460 940 1 3 . 1 1 17 17 HIS H H 17 8.250 8.250 8.454 -0.204 25460 941 1 3 . 1 1 18 18 MET N N 18 121.430 121.430 128.590 -7.160 25460 942 1 3 . 1 1 18 18 MET HA H 18 4.395 4.395 4.417 -0.022 25460 943 1 3 . 1 1 18 18 MET C C 18 175.750 175.750 174.525 1.225 25460 944 1 3 . 1 1 18 18 MET CA C 18 55.660 55.660 54.221 1.438 25460 945 1 3 . 1 1 18 18 MET CB C 18 32.740 32.740 31.774 0.966 25460 946 1 3 . 1 1 18 18 MET H H 18 8.320 8.320 8.424 -0.104 25460 947 1 3 . 1 1 19 19 ALA N N 19 125.550 125.550 129.623 -4.073 25460 948 1 3 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.320 -0.048 25460 949 1 3 . 1 1 19 19 ALA C C 19 176.950 176.950 177.003 -0.053 25460 950 1 3 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.554 0.706 25460 951 1 3 . 1 1 19 19 ALA CB C 19 19.130 19.130 19.020 0.110 25460 952 1 3 . 1 1 19 19 ALA H H 19 8.262 8.262 8.162 0.100 25460 953 1 3 . 1 1 20 20 ALA N N 20 124.430 124.430 128.894 -4.464 25460 954 1 3 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.170 0.366 25460 955 1 3 . 1 1 20 20 ALA C C 20 175.390 175.390 176.883 -1.493 25460 956 1 3 . 1 1 20 20 ALA CA C 20 50.100 50.100 50.860 -0.760 25460 957 1 3 . 1 1 20 20 ALA CB C 20 18.420 18.420 18.572 -0.152 25460 958 1 3 . 1 1 20 20 ALA H H 20 8.083 8.083 8.327 -0.244 25460 959 1 3 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.381 0.069 25460 960 1 3 . 1 1 21 21 PRO C C 21 175.770 175.770 175.982 -0.212 25460 961 1 3 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.432 -7.912 25460 962 1 3 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.117 0.843 25460 963 1 3 . 1 1 22 22 ALA N N 22 124.420 124.420 122.004 2.416 25460 964 1 3 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.378 -0.045 25460 965 1 3 . 1 1 22 22 ALA C C 22 176.920 176.920 177.551 -0.631 25460 966 1 3 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.820 0.530 25460 967 1 3 . 1 1 22 22 ALA CB C 22 19.190 19.190 20.003 -0.813 25460 968 1 3 . 1 1 22 22 ALA H H 22 8.235 8.235 7.405 0.830 25460 969 1 3 . 1 1 23 23 ARG N N 23 120.140 120.140 121.341 -1.201 25460 970 1 3 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.323 0.020 25460 971 1 3 . 1 1 23 23 ARG C C 23 176.220 176.220 175.833 0.387 25460 972 1 3 . 1 1 23 23 ARG CA C 23 57.000 57.000 57.885 -0.885 25460 973 1 3 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.846 1.644 25460 974 1 3 . 1 1 23 23 ARG H H 23 9.271 9.271 8.934 0.337 25460 975 1 3 . 1 1 24 24 PHE N N 24 119.130 119.130 115.350 3.780 25460 976 1 3 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.420 -0.038 25460 977 1 3 . 1 1 24 24 PHE C C 24 175.910 175.910 174.122 1.788 25460 978 1 3 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.391 0.459 25460 979 1 3 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.661 -0.101 25460 980 1 3 . 1 1 24 24 PHE H H 24 9.270 9.270 7.764 1.506 25460 981 1 3 . 1 1 25 25 CYS N N 25 116.300 116.300 119.571 -3.271 25460 982 1 3 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.370 -0.051 25460 983 1 3 . 1 1 25 25 CYS C C 25 172.990 172.990 174.345 -1.355 25460 984 1 3 . 1 1 25 25 CYS CA C 25 54.200 54.200 58.072 -3.872 25460 985 1 3 . 1 1 25 25 CYS CB C 25 39.740 39.740 28.499 11.241 25460 986 1 3 . 1 1 25 25 CYS H H 25 9.254 9.254 9.188 0.066 25460 987 1 3 . 1 1 26 26 VAL N N 26 126.290 126.290 124.910 1.380 25460 988 1 3 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.567 -0.185 25460 989 1 3 . 1 1 26 26 VAL C C 26 174.520 174.520 175.087 -0.567 25460 990 1 3 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.433 -0.693 25460 991 1 3 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.741 -0.361 25460 992 1 3 . 1 1 26 26 VAL H H 26 9.512 9.512 9.111 0.401 25460 993 1 3 . 1 1 27 27 TYR N N 27 123.620 123.620 126.588 -2.968 25460 994 1 3 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.638 -0.494 25460 995 1 3 . 1 1 27 27 TYR C C 27 175.400 175.400 175.357 0.043 25460 996 1 3 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.010 1.090 25460 997 1 3 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.592 0.268 25460 998 1 3 . 1 1 27 27 TYR H H 27 8.240 8.240 8.734 -0.494 25460 999 1 3 . 1 1 28 28 TYR N N 28 119.740 119.740 119.023 0.717 25460 1000 1 3 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.360 -0.087 25460 1001 1 3 . 1 1 28 28 TYR C C 28 174.590 174.590 174.717 -0.127 25460 1002 1 3 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.322 0.578 25460 1003 1 3 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.943 1.147 25460 1004 1 3 . 1 1 28 28 TYR H H 28 9.448 9.448 9.273 0.175 25460 1005 1 3 . 1 1 29 29 ASP N N 29 118.650 118.650 123.118 -4.468 25460 1006 1 3 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.003 0.252 25460 1007 1 3 . 1 1 29 29 ASP C C 29 177.670 177.670 175.954 1.716 25460 1008 1 3 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.240 -1.440 25460 1009 1 3 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.890 -0.540 25460 1010 1 3 . 1 1 29 29 ASP H H 29 8.995 8.995 9.032 -0.037 25460 1011 1 3 . 1 1 30 30 GLY N N 30 114.740 114.740 115.385 -0.645 25460 1012 1 3 . 1 1 30 30 GLY C C 30 173.320 173.320 172.467 0.853 25460 1013 1 3 . 1 1 30 30 GLY CA C 30 44.110 44.110 44.876 -0.766 25460 1014 1 3 . 1 1 30 30 GLY H H 30 9.046 9.046 9.111 -0.065 25460 1015 1 3 . 1 1 31 31 HIS N N 31 113.880 113.880 119.772 -5.892 25460 1016 1 3 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.596 -0.103 25460 1017 1 3 . 1 1 31 31 HIS C C 31 175.230 175.230 174.580 0.650 25460 1018 1 3 . 1 1 31 31 HIS CA C 31 55.980 55.980 56.752 -0.772 25460 1019 1 3 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.522 0.108 25460 1020 1 3 . 1 1 31 31 HIS H H 31 8.306 8.306 8.604 -0.298 25460 1021 1 3 . 1 1 32 32 LEU N N 32 124.060 124.060 121.727 2.333 25460 1022 1 3 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.724 0.100 25460 1023 1 3 . 1 1 32 32 LEU C C 32 176.030 176.030 175.631 0.399 25460 1024 1 3 . 1 1 32 32 LEU CA C 32 52.080 52.080 51.032 1.048 25460 1025 1 3 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.382 -1.842 25460 1026 1 3 . 1 1 32 32 LEU H H 32 8.477 8.477 7.729 0.748 25460 1027 1 3 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.218 -0.465 25460 1028 1 3 . 1 1 33 33 PRO C C 33 177.880 177.880 176.957 0.923 25460 1029 1 3 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.583 0.917 25460 1030 1 3 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.921 -0.151 25460 1031 1 3 . 1 1 34 34 ALA N N 34 115.220 115.220 118.036 -2.816 25460 1032 1 3 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.420 -0.227 25460 1033 1 3 . 1 1 34 34 ALA C C 34 179.120 179.120 178.201 0.919 25460 1034 1 3 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.370 1.240 25460 1035 1 3 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.767 -0.338 25460 1036 1 3 . 1 1 34 34 ALA H H 34 8.193 8.193 7.888 0.305 25460 1037 1 3 . 1 1 35 35 THR N N 35 102.120 102.120 112.160 -10.040 25460 1038 1 3 . 1 1 35 35 THR HA H 35 4.597 4.597 4.448 0.149 25460 1039 1 3 . 1 1 35 35 THR C C 35 175.610 175.610 174.974 0.636 25460 1040 1 3 . 1 1 35 35 THR CA C 35 60.400 60.400 61.913 -1.513 25460 1041 1 3 . 1 1 35 35 THR CB C 35 70.550 70.550 70.846 -0.296 25460 1042 1 3 . 1 1 35 35 THR H H 35 7.187 7.187 7.614 -0.427 25460 1043 1 3 . 1 1 36 36 ARG N N 36 122.520 122.520 124.073 -1.553 25460 1044 1 3 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.474 0.289 25460 1045 1 3 . 1 1 36 36 ARG C C 36 175.220 175.220 176.364 -1.144 25460 1046 1 3 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.989 0.101 25460 1047 1 3 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.143 -0.263 25460 1048 1 3 . 1 1 36 36 ARG H H 36 7.918 7.918 7.975 -0.057 25460 1049 1 3 . 1 1 37 37 VAL N N 37 122.110 122.110 125.869 -3.759 25460 1050 1 3 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.323 0.018 25460 1051 1 3 . 1 1 37 37 VAL C C 37 175.690 175.690 175.281 0.409 25460 1052 1 3 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.570 0.760 25460 1053 1 3 . 1 1 37 37 VAL CB C 37 35.050 35.050 32.616 2.434 25460 1054 1 3 . 1 1 37 37 VAL H H 37 8.603 8.603 8.793 -0.190 25460 1055 1 3 . 1 1 38 38 LEU N N 38 130.470 130.470 130.117 0.353 25460 1056 1 3 . 1 1 38 38 LEU HA H 38 3.769 3.769 3.916 -0.147 25460 1057 1 3 . 1 1 38 38 LEU C C 38 176.510 176.510 175.883 0.627 25460 1058 1 3 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.337 1.033 25460 1059 1 3 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.363 0.457 25460 1060 1 3 . 1 1 38 38 LEU H H 38 8.708 8.708 8.889 -0.181 25460 1061 1 3 . 1 1 39 39 LEU N N 39 126.440 126.440 128.881 -2.441 25460 1062 1 3 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.337 0.290 25460 1063 1 3 . 1 1 39 39 LEU C C 39 176.800 176.800 177.108 -0.308 25460 1064 1 3 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.875 -0.145 25460 1065 1 3 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.974 -0.644 25460 1066 1 3 . 1 1 39 39 LEU H H 39 9.254 9.254 8.984 0.270 25460 1067 1 3 . 1 1 40 40 MET N N 40 114.550 114.550 111.637 2.913 25460 1068 1 3 . 1 1 40 40 MET HA H 40 4.471 4.471 4.443 0.028 25460 1069 1 3 . 1 1 40 40 MET C C 40 173.750 173.750 173.546 0.204 25460 1070 1 3 . 1 1 40 40 MET CA C 40 56.040 56.040 54.650 1.390 25460 1071 1 3 . 1 1 40 40 MET CB C 40 36.880 36.880 34.944 1.936 25460 1072 1 3 . 1 1 40 40 MET H H 40 7.054 7.054 7.456 -0.402 25460 1073 1 3 . 1 1 41 41 TYR N N 41 123.270 123.270 119.528 3.742 25460 1074 1 3 . 1 1 41 41 TYR HA H 41 4.813 4.813 4.601 0.212 25460 1075 1 3 . 1 1 41 41 TYR C C 41 175.680 175.680 175.909 -0.229 25460 1076 1 3 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.752 0.188 25460 1077 1 3 . 1 1 41 41 TYR CB C 41 39.460 39.460 37.909 1.551 25460 1078 1 3 . 1 1 41 41 TYR H H 41 8.563 8.563 8.317 0.246 25460 1079 1 3 . 1 1 42 42 VAL N N 42 123.930 123.930 125.166 -1.236 25460 1080 1 3 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.476 -0.067 25460 1081 1 3 . 1 1 42 42 VAL C C 42 175.600 175.600 175.455 0.145 25460 1082 1 3 . 1 1 42 42 VAL CA C 42 61.480 61.480 61.150 0.330 25460 1083 1 3 . 1 1 42 42 VAL CB C 42 35.310 35.310 33.817 1.493 25460 1084 1 3 . 1 1 42 42 VAL H H 42 9.442 9.442 9.221 0.221 25460 1085 1 3 . 1 1 43 43 ARG N N 43 129.290 129.290 128.321 0.969 25460 1086 1 3 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.324 -0.400 25460 1087 1 3 . 1 1 43 43 ARG C C 43 177.010 177.010 176.606 0.404 25460 1088 1 3 . 1 1 43 43 ARG CA C 43 56.760 56.760 56.160 0.600 25460 1089 1 3 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.544 -0.564 25460 1090 1 3 . 1 1 43 43 ARG H H 43 8.940 8.940 8.997 -0.057 25460 1091 1 3 . 1 1 44 44 ILE N N 44 128.260 128.260 126.130 2.130 25460 1092 1 3 . 1 1 44 44 ILE HA H 44 3.686 3.686 4.068 -0.382 25460 1093 1 3 . 1 1 44 44 ILE C C 44 177.020 177.020 177.091 -0.071 25460 1094 1 3 . 1 1 44 44 ILE CA C 44 64.930 64.930 61.742 3.188 25460 1095 1 3 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.487 1.753 25460 1096 1 3 . 1 1 44 44 ILE H H 44 8.345 8.345 8.226 0.119 25460 1097 1 3 . 1 1 45 45 GLY N N 45 115.530 115.530 116.632 -1.102 25460 1098 1 3 . 1 1 45 45 GLY C C 45 174.860 174.860 173.912 0.948 25460 1099 1 3 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.933 -0.693 25460 1100 1 3 . 1 1 45 45 GLY H H 45 9.423 9.423 9.208 0.215 25460 1101 1 3 . 1 1 46 46 THR N N 46 111.410 111.410 114.596 -3.186 25460 1102 1 3 . 1 1 46 46 THR HA H 46 4.974 4.974 4.709 0.265 25460 1103 1 3 . 1 1 46 46 THR C C 46 172.310 172.310 172.813 -0.503 25460 1104 1 3 . 1 1 46 46 THR CA C 46 60.280 60.280 60.431 -0.151 25460 1105 1 3 . 1 1 46 46 THR CB C 46 72.160 72.160 71.316 0.844 25460 1106 1 3 . 1 1 46 46 THR H H 46 7.925 7.925 7.909 0.016 25460 1107 1 3 . 1 1 47 47 THR N N 47 109.430 109.430 113.271 -3.841 25460 1108 1 3 . 1 1 47 47 THR HA H 47 5.383 5.383 5.355 0.028 25460 1109 1 3 . 1 1 47 47 THR C C 47 174.560 174.560 173.849 0.711 25460 1110 1 3 . 1 1 47 47 THR CA C 47 59.240 59.240 59.880 -0.640 25460 1111 1 3 . 1 1 47 47 THR CB C 47 71.840 71.840 70.916 0.924 25460 1112 1 3 . 1 1 47 47 THR H H 47 7.784 7.784 8.237 -0.453 25460 1113 1 3 . 1 1 48 48 ALA N N 48 122.630 122.630 124.700 -2.070 25460 1114 1 3 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.650 0.008 25460 1115 1 3 . 1 1 48 48 ALA C C 48 175.620 175.620 175.350 0.270 25460 1116 1 3 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.923 -0.323 25460 1117 1 3 . 1 1 48 48 ALA CB C 48 24.410 24.410 21.908 2.502 25460 1118 1 3 . 1 1 48 48 ALA H H 48 8.681 8.681 8.999 -0.318 25460 1119 1 3 . 1 1 49 49 THR N N 49 116.020 116.020 117.614 -1.594 25460 1120 1 3 . 1 1 49 49 THR HA H 49 4.914 4.914 5.135 -0.221 25460 1121 1 3 . 1 1 49 49 THR C C 49 174.400 174.400 174.028 0.372 25460 1122 1 3 . 1 1 49 49 THR CA C 49 62.320 62.320 61.859 0.461 25460 1123 1 3 . 1 1 49 49 THR CB C 49 69.260 69.260 68.710 0.550 25460 1124 1 3 . 1 1 49 49 THR H H 49 8.347 8.347 8.363 -0.016 25460 1125 1 3 . 1 1 50 50 ILE N N 50 126.050 126.050 128.729 -2.679 25460 1126 1 3 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.286 0.150 25460 1127 1 3 . 1 1 50 50 ILE C C 50 175.080 175.080 175.490 -0.410 25460 1128 1 3 . 1 1 50 50 ILE CA C 50 59.510 59.510 59.075 0.435 25460 1129 1 3 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.997 1.673 25460 1130 1 3 . 1 1 50 50 ILE H H 50 9.199 9.199 9.036 0.163 25460 1131 1 3 . 1 1 51 51 THR N N 51 120.630 120.630 122.458 -1.828 25460 1132 1 3 . 1 1 51 51 THR HA H 51 5.312 5.312 5.529 -0.217 25460 1133 1 3 . 1 1 51 51 THR C C 51 174.250 174.250 173.394 0.856 25460 1134 1 3 . 1 1 51 51 THR CA C 51 61.030 61.030 61.203 -0.173 25460 1135 1 3 . 1 1 51 51 THR CB C 51 69.850 69.850 70.336 -0.486 25460 1136 1 3 . 1 1 51 51 THR H H 51 8.500 8.500 8.536 -0.036 25460 1137 1 3 . 1 1 52 52 ALA N N 52 127.710 127.710 127.718 -0.008 25460 1138 1 3 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.948 -0.237 25460 1139 1 3 . 1 1 52 52 ALA C C 52 176.530 176.530 176.800 -0.270 25460 1140 1 3 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.499 0.481 25460 1141 1 3 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.716 1.004 25460 1142 1 3 . 1 1 52 52 ALA H H 52 9.202 9.202 9.133 0.069 25460 1143 1 3 . 1 1 53 53 ARG N N 53 118.780 118.780 122.320 -3.540 25460 1144 1 3 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.964 -0.108 25460 1145 1 3 . 1 1 53 53 ARG C C 53 177.070 177.070 175.949 1.121 25460 1146 1 3 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.718 0.312 25460 1147 1 3 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.889 -0.848 25460 1148 1 3 . 1 1 53 53 ARG H H 53 9.303 9.303 9.239 0.064 25460 1149 1 3 . 1 1 54 54 GLY N N 54 104.070 104.070 103.076 0.994 25460 1150 1 3 . 1 1 54 54 GLY C C 54 174.110 174.110 174.110 0.000 25460 1151 1 3 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.062 0.298 25460 1152 1 3 . 1 1 54 54 GLY H H 54 8.714 8.714 8.450 0.264 25460 1153 1 3 . 1 1 55 55 HIS N N 55 119.170 119.170 121.524 -2.354 25460 1154 1 3 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.350 0.426 25460 1155 1 3 . 1 1 55 55 HIS C C 55 172.310 172.310 173.764 -1.454 25460 1156 1 3 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.880 -1.850 25460 1157 1 3 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.175 1.925 25460 1158 1 3 . 1 1 55 55 HIS H H 55 8.227 8.227 8.377 -0.150 25460 1159 1 3 . 1 1 56 56 GLU N N 56 119.640 119.640 123.721 -4.081 25460 1160 1 3 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.116 -0.029 25460 1161 1 3 . 1 1 56 56 GLU C C 56 176.150 176.150 175.438 0.712 25460 1162 1 3 . 1 1 56 56 GLU CA C 56 55.090 55.090 54.830 0.260 25460 1163 1 3 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.641 1.139 25460 1164 1 3 . 1 1 56 56 GLU H H 56 8.024 8.024 8.578 -0.554 25460 1165 1 3 . 1 1 57 57 PHE N N 57 121.660 121.660 125.522 -3.862 25460 1166 1 3 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.696 0.078 25460 1167 1 3 . 1 1 57 57 PHE C C 57 173.930 173.930 174.804 -0.874 25460 1168 1 3 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.617 -0.147 25460 1169 1 3 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.815 0.635 25460 1170 1 3 . 1 1 57 57 PHE H H 57 9.219 9.219 9.224 -0.005 25460 1171 1 3 . 1 1 58 58 GLU N N 58 125.630 125.630 126.389 -0.759 25460 1172 1 3 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.706 0.518 25460 1173 1 3 . 1 1 58 58 GLU C C 58 175.820 175.820 175.717 0.103 25460 1174 1 3 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.611 -0.151 25460 1175 1 3 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.672 0.278 25460 1176 1 3 . 1 1 58 58 GLU H H 58 8.597 8.597 9.007 -0.410 25460 1177 1 3 . 1 1 59 59 VAL N N 59 120.690 120.690 120.403 0.287 25460 1178 1 3 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.648 0.767 25460 1179 1 3 . 1 1 59 59 VAL C C 59 174.790 174.790 173.798 0.992 25460 1180 1 3 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.223 -0.673 25460 1181 1 3 . 1 1 59 59 VAL CB C 59 34.150 34.150 35.247 -1.097 25460 1182 1 3 . 1 1 59 59 VAL H H 59 8.809 8.809 9.104 -0.295 25460 1183 1 3 . 1 1 60 60 GLU N N 60 118.570 118.570 123.431 -4.861 25460 1184 1 3 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.888 -0.271 25460 1185 1 3 . 1 1 60 60 GLU C C 60 176.050 176.050 175.462 0.588 25460 1186 1 3 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.372 -0.192 25460 1187 1 3 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.369 -0.319 25460 1188 1 3 . 1 1 60 60 GLU H H 60 8.024 8.024 8.873 -0.849 25460 1189 1 3 . 1 1 61 61 ALA N N 61 132.630 132.630 132.039 0.591 25460 1190 1 3 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.756 -0.057 25460 1191 1 3 . 1 1 61 61 ALA C C 61 176.260 176.260 177.094 -0.834 25460 1192 1 3 . 1 1 61 61 ALA CA C 61 50.520 50.520 50.814 -0.294 25460 1193 1 3 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.411 -0.701 25460 1194 1 3 . 1 1 61 61 ALA H H 61 8.230 8.230 8.844 -0.614 25460 1195 1 3 . 1 1 62 62 LYS N N 62 126.080 126.080 121.681 4.399 25460 1196 1 3 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.092 -0.094 25460 1197 1 3 . 1 1 62 62 LYS C C 62 177.030 177.030 176.105 0.925 25460 1198 1 3 . 1 1 62 62 LYS CA C 62 59.590 59.590 58.518 1.072 25460 1199 1 3 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.713 1.827 25460 1200 1 3 . 1 1 62 62 LYS H H 62 9.070 9.070 7.866 1.204 25460 1201 1 3 . 1 1 63 63 ASP N N 63 110.550 110.550 115.251 -4.701 25460 1202 1 3 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.635 -0.249 25460 1203 1 3 . 1 1 63 63 ASP C C 63 175.810 175.810 175.938 -0.128 25460 1204 1 3 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.823 0.327 25460 1205 1 3 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.603 -2.353 25460 1206 1 3 . 1 1 63 63 ASP H H 63 7.507 7.507 7.516 -0.009 25460 1207 1 3 . 1 1 64 64 GLN N N 64 112.740 112.740 119.241 -6.501 25460 1208 1 3 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.094 0.006 25460 1209 1 3 . 1 1 64 64 GLN C C 64 175.950 175.950 176.431 -0.481 25460 1210 1 3 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.228 0.462 25460 1211 1 3 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.205 -0.365 25460 1212 1 3 . 1 1 64 64 GLN H H 64 8.410 8.410 8.568 -0.158 25460 1213 1 3 . 1 1 65 65 ASN N N 65 117.790 117.790 116.861 0.929 25460 1214 1 3 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.676 -0.097 25460 1215 1 3 . 1 1 65 65 ASN C C 65 177.250 177.250 175.472 1.778 25460 1216 1 3 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.727 1.393 25460 1217 1 3 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.442 -1.532 25460 1218 1 3 . 1 1 65 65 ASN H H 65 8.747 8.747 8.350 0.397 25460 1219 1 3 . 1 1 66 66 CYS N N 66 112.640 112.640 114.533 -1.893 25460 1220 1 3 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.172 0.253 25460 1221 1 3 . 1 1 66 66 CYS C C 66 174.970 174.970 174.120 0.850 25460 1222 1 3 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.785 -3.655 25460 1223 1 3 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.813 11.347 25460 1224 1 3 . 1 1 66 66 CYS H H 66 8.527 8.527 7.760 0.767 25460 1225 1 3 . 1 1 67 67 LYS N N 67 116.240 116.240 119.658 -3.418 25460 1226 1 3 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.344 -0.167 25460 1227 1 3 . 1 1 67 67 LYS C C 67 178.480 178.480 175.931 2.549 25460 1228 1 3 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.962 1.898 25460 1229 1 3 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.568 0.552 25460 1230 1 3 . 1 1 67 67 LYS H H 67 8.014 8.014 7.961 0.053 25460 1231 1 3 . 1 1 68 68 VAL N N 68 126.980 126.980 126.854 0.126 25460 1232 1 3 . 1 1 68 68 VAL HA H 68 3.675 3.675 3.973 -0.298 25460 1233 1 3 . 1 1 68 68 VAL C C 68 174.460 174.460 174.534 -0.074 25460 1234 1 3 . 1 1 68 68 VAL CA C 68 64.750 64.750 62.924 1.826 25460 1235 1 3 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.360 -2.200 25460 1236 1 3 . 1 1 68 68 VAL H H 68 8.967 8.967 7.935 1.032 25460 1237 1 3 . 1 1 69 69 ILE N N 69 132.540 132.540 129.539 3.001 25460 1238 1 3 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.566 -0.387 25460 1239 1 3 . 1 1 69 69 ILE C C 69 175.060 175.060 174.715 0.345 25460 1240 1 3 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.757 0.803 25460 1241 1 3 . 1 1 69 69 ILE CB C 69 41.490 41.490 41.297 0.193 25460 1242 1 3 . 1 1 69 69 ILE H H 69 8.689 8.689 7.695 0.994 25460 1243 1 3 . 1 1 70 70 LEU N N 70 125.290 125.290 127.163 -1.873 25460 1244 1 3 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.728 0.570 25460 1245 1 3 . 1 1 70 70 LEU C C 70 180.800 180.800 179.075 1.725 25460 1246 1 3 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.897 -1.707 25460 1247 1 3 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.761 -1.611 25460 1248 1 3 . 1 1 70 70 LEU H H 70 8.829 8.829 9.230 -0.401 25460 1249 1 3 . 1 1 71 71 THR N N 71 115.510 115.510 115.336 0.174 25460 1250 1 3 . 1 1 71 71 THR HA H 71 4.094 4.094 4.116 -0.022 25460 1251 1 3 . 1 1 71 71 THR C C 71 176.240 176.240 175.864 0.376 25460 1252 1 3 . 1 1 71 71 THR CA C 71 63.950 63.950 65.089 -1.139 25460 1253 1 3 . 1 1 71 71 THR CB C 71 68.280 68.280 68.565 -0.285 25460 1254 1 3 . 1 1 71 71 THR H H 71 8.546 8.546 8.537 0.009 25460 1255 1 3 . 1 1 72 72 ASN N N 72 117.010 117.010 118.730 -1.720 25460 1256 1 3 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.734 -0.170 25460 1257 1 3 . 1 1 72 72 ASN C C 72 177.340 177.340 175.921 1.419 25460 1258 1 3 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.553 -0.843 25460 1259 1 3 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.846 -1.626 25460 1260 1 3 . 1 1 72 72 ASN H H 72 8.162 8.162 8.186 -0.024 25460 1261 1 3 . 1 1 73 73 GLY N N 73 106.660 106.660 107.934 -1.274 25460 1262 1 3 . 1 1 73 73 GLY C C 73 175.020 175.020 173.745 1.275 25460 1263 1 3 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.281 0.419 25460 1264 1 3 . 1 1 73 73 GLY H H 73 7.985 7.985 8.045 -0.060 25460 1265 1 3 . 1 1 74 74 LYS N N 74 120.730 120.730 120.246 0.484 25460 1266 1 3 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.653 -0.355 25460 1267 1 3 . 1 1 74 74 LYS C C 74 175.720 175.720 175.539 0.181 25460 1268 1 3 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.331 1.399 25460 1269 1 3 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.963 -1.473 25460 1270 1 3 . 1 1 74 74 LYS H H 74 7.820 7.820 7.573 0.247 25460 1271 1 3 . 1 1 75 75 GLN N N 75 119.590 119.590 120.685 -1.095 25460 1272 1 3 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.511 -0.354 25460 1273 1 3 . 1 1 75 75 GLN C C 75 176.490 176.490 175.526 0.964 25460 1274 1 3 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.140 0.440 25460 1275 1 3 . 1 1 75 75 GLN CB C 75 29.020 29.020 30.528 -1.508 25460 1276 1 3 . 1 1 75 75 GLN H H 75 8.273 8.273 8.606 -0.333 25460 1277 1 3 . 1 1 76 76 ALA N N 76 129.340 129.340 128.030 1.310 25460 1278 1 3 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.435 -0.269 25460 1279 1 3 . 1 1 76 76 ALA C C 76 174.920 174.920 175.533 -0.613 25460 1280 1 3 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.017 0.064 25460 1281 1 3 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.151 -0.271 25460 1282 1 3 . 1 1 76 76 ALA H H 76 8.698 8.698 8.066 0.632 25460 1283 1 3 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.320 -0.083 25460 1284 1 3 . 1 1 77 77 PRO C C 77 178.170 178.170 176.816 1.354 25460 1285 1 3 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.833 0.337 25460 1286 1 3 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.736 -0.266 25460 1287 1 3 . 1 1 78 78 ASP N N 78 121.040 121.040 119.930 1.110 25460 1288 1 3 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.319 -0.102 25460 1289 1 3 . 1 1 78 78 ASP C C 78 176.610 176.610 177.371 -0.761 25460 1290 1 3 . 1 1 78 78 ASP CA C 78 56.500 56.500 57.309 -0.809 25460 1291 1 3 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.630 -0.100 25460 1292 1 3 . 1 1 78 78 ASP H H 78 8.607 8.607 8.596 0.011 25460 1293 1 3 . 1 1 79 79 TRP N N 79 114.440 114.440 115.156 -0.716 25460 1294 1 3 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.537 -0.045 25460 1295 1 3 . 1 1 79 79 TRP C C 79 175.280 175.280 175.311 -0.031 25460 1296 1 3 . 1 1 79 79 TRP CA C 79 54.630 54.630 56.283 -1.653 25460 1297 1 3 . 1 1 79 79 TRP CB C 79 29.140 29.140 28.951 0.189 25460 1298 1 3 . 1 1 79 79 TRP H H 79 6.768 6.768 7.698 -0.930 25460 1299 1 3 . 1 1 80 80 LEU N N 80 123.450 123.450 123.691 -0.241 25460 1300 1 3 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.854 -0.093 25460 1301 1 3 . 1 1 80 80 LEU C C 80 174.270 174.270 175.537 -1.267 25460 1302 1 3 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.586 1.264 25460 1303 1 3 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.220 0.670 25460 1304 1 3 . 1 1 80 80 LEU H H 80 6.577 6.577 6.919 -0.342 25460 1305 1 3 . 1 1 81 81 ALA N N 81 130.910 130.910 130.265 0.645 25460 1306 1 3 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.681 -0.014 25460 1307 1 3 . 1 1 81 81 ALA C C 81 175.210 175.210 175.412 -0.202 25460 1308 1 3 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.757 -0.447 25460 1309 1 3 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.046 1.224 25460 1310 1 3 . 1 1 81 81 ALA H H 81 9.037 9.037 8.868 0.169 25460 1311 1 3 . 1 1 82 82 ALA N N 82 119.120 119.120 125.125 -6.005 25460 1312 1 3 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.259 0.418 25460 1313 1 3 . 1 1 82 82 ALA C C 82 177.280 177.280 176.156 1.124 25460 1314 1 3 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.871 0.139 25460 1315 1 3 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.003 1.237 25460 1316 1 3 . 1 1 82 82 ALA H H 82 8.159 8.159 8.339 -0.180 25460 1317 1 3 . 1 1 83 83 GLU N N 83 116.910 116.910 122.704 -5.794 25460 1318 1 3 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.896 0.042 25460 1319 1 3 . 1 1 83 83 GLU C C 83 172.560 172.560 174.473 -1.913 25460 1320 1 3 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.643 0.367 25460 1321 1 3 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.986 0.484 25460 1322 1 3 . 1 1 83 83 GLU H H 83 8.614 8.614 8.491 0.123 25460 1323 1 3 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.533 0.980 25460 1324 1 3 . 1 1 84 84 PRO C C 84 177.340 177.340 175.769 1.571 25460 1325 1 3 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.605 -0.675 25460 1326 1 3 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.127 0.293 25460 1327 1 4 . 1 1 8 8 GLY N N 8 110.720 110.720 109.642 1.078 25460 1328 1 4 . 1 1 8 8 GLY C C 8 174.650 174.650 173.119 1.531 25460 1329 1 4 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.406 1.064 25460 1330 1 4 . 1 1 8 8 GLY H H 8 8.462 8.462 8.248 0.214 25460 1331 1 4 . 1 1 9 9 ARG N N 9 120.430 120.430 122.443 -2.013 25460 1332 1 4 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.282 0.036 25460 1333 1 4 . 1 1 9 9 ARG C C 9 176.790 176.790 175.748 1.042 25460 1334 1 4 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.767 0.573 25460 1335 1 4 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.117 0.413 25460 1336 1 4 . 1 1 9 9 ARG H H 9 8.206 8.206 8.600 -0.394 25460 1337 1 4 . 1 1 10 10 GLU N N 10 121.220 121.220 124.406 -3.186 25460 1338 1 4 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.362 -0.152 25460 1339 1 4 . 1 1 10 10 GLU C C 10 176.600 176.600 175.967 0.633 25460 1340 1 4 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.338 0.932 25460 1341 1 4 . 1 1 10 10 GLU CB C 10 29.780 29.780 29.593 0.187 25460 1342 1 4 . 1 1 10 10 GLU H H 10 8.562 8.562 8.178 0.384 25460 1343 1 4 . 1 1 11 11 ASN N N 11 118.900 118.900 123.171 -4.271 25460 1344 1 4 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.784 -0.114 25460 1345 1 4 . 1 1 11 11 ASN C C 11 175.420 175.420 174.674 0.746 25460 1346 1 4 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.984 0.466 25460 1347 1 4 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.238 -0.528 25460 1348 1 4 . 1 1 11 11 ASN H H 11 8.337 8.337 8.539 -0.202 25460 1349 1 4 . 1 1 12 12 LEU N N 12 121.830 121.830 125.468 -3.638 25460 1350 1 4 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.281 -0.089 25460 1351 1 4 . 1 1 12 12 LEU C C 12 177.290 177.290 176.274 1.016 25460 1352 1 4 . 1 1 12 12 LEU CA C 12 55.630 55.630 55.581 0.049 25460 1353 1 4 . 1 1 12 12 LEU CB C 12 42.260 42.260 42.093 0.168 25460 1354 1 4 . 1 1 12 12 LEU H H 12 7.988 7.988 8.296 -0.308 25460 1355 1 4 . 1 1 13 13 TYR N N 13 119.550 119.550 125.666 -6.116 25460 1356 1 4 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.472 0.026 25460 1357 1 4 . 1 1 13 13 TYR C C 13 175.950 175.950 175.698 0.252 25460 1358 1 4 . 1 1 13 13 TYR CA C 13 57.930 57.930 56.508 1.423 25460 1359 1 4 . 1 1 13 13 TYR CB C 13 38.590 38.590 40.425 -1.835 25460 1360 1 4 . 1 1 13 13 TYR H H 13 7.966 7.966 8.133 -0.167 25460 1361 1 4 . 1 1 14 14 PHE N N 14 121.130 121.130 121.018 0.112 25460 1362 1 4 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.355 0.169 25460 1363 1 4 . 1 1 14 14 PHE C C 14 175.820 175.820 175.701 0.119 25460 1364 1 4 . 1 1 14 14 PHE CA C 14 57.950 57.950 58.199 -0.249 25460 1365 1 4 . 1 1 14 14 PHE CB C 14 39.510 39.510 37.893 1.617 25460 1366 1 4 . 1 1 14 14 PHE H H 14 8.006 8.006 7.814 0.192 25460 1367 1 4 . 1 1 15 15 GLN N N 15 121.840 121.840 124.645 -2.805 25460 1368 1 4 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.429 -0.244 25460 1369 1 4 . 1 1 15 15 GLN C C 15 176.420 176.420 175.888 0.532 25460 1370 1 4 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.671 0.509 25460 1371 1 4 . 1 1 15 15 GLN CB C 15 29.110 29.110 27.387 1.723 25460 1372 1 4 . 1 1 15 15 GLN H H 15 8.217 8.217 8.531 -0.314 25460 1373 1 4 . 1 1 16 16 GLY N N 16 108.430 108.430 111.952 -3.522 25460 1374 1 4 . 1 1 16 16 GLY C C 16 174.140 174.140 173.413 0.727 25460 1375 1 4 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.110 0.200 25460 1376 1 4 . 1 1 16 16 GLY H H 16 7.907 7.907 7.830 0.077 25460 1377 1 4 . 1 1 17 17 HIS N N 17 117.990 117.990 121.640 -3.650 25460 1378 1 4 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.644 -0.767 25460 1379 1 4 . 1 1 17 17 HIS C C 17 174.610 174.610 176.170 -1.560 25460 1380 1 4 . 1 1 17 17 HIS CA C 17 55.430 55.430 56.053 -0.623 25460 1381 1 4 . 1 1 17 17 HIS CB C 17 29.280 29.280 31.435 -2.155 25460 1382 1 4 . 1 1 17 17 HIS H H 17 8.250 8.250 8.431 -0.181 25460 1383 1 4 . 1 1 18 18 MET N N 18 121.430 121.430 123.227 -1.797 25460 1384 1 4 . 1 1 18 18 MET HA H 18 4.395 4.395 4.435 -0.040 25460 1385 1 4 . 1 1 18 18 MET C C 18 175.750 175.750 175.269 0.481 25460 1386 1 4 . 1 1 18 18 MET CA C 18 55.660 55.660 54.853 0.807 25460 1387 1 4 . 1 1 18 18 MET CB C 18 32.740 32.740 32.429 0.311 25460 1388 1 4 . 1 1 18 18 MET H H 18 8.320 8.320 8.532 -0.212 25460 1389 1 4 . 1 1 19 19 ALA N N 19 125.550 125.550 129.197 -3.647 25460 1390 1 4 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.310 -0.038 25460 1391 1 4 . 1 1 19 19 ALA C C 19 176.950 176.950 177.011 -0.061 25460 1392 1 4 . 1 1 19 19 ALA CA C 19 52.260 52.260 52.170 0.090 25460 1393 1 4 . 1 1 19 19 ALA CB C 19 19.130 19.130 19.197 -0.067 25460 1394 1 4 . 1 1 19 19 ALA H H 19 8.262 8.262 8.057 0.205 25460 1395 1 4 . 1 1 20 20 ALA N N 20 124.430 124.430 128.430 -4.000 25460 1396 1 4 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.309 0.227 25460 1397 1 4 . 1 1 20 20 ALA C C 20 175.390 175.390 176.914 -1.524 25460 1398 1 4 . 1 1 20 20 ALA CA C 20 50.100 50.100 50.749 -0.650 25460 1399 1 4 . 1 1 20 20 ALA CB C 20 18.420 18.420 18.614 -0.194 25460 1400 1 4 . 1 1 20 20 ALA H H 20 8.083 8.083 8.293 -0.210 25460 1401 1 4 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.271 0.179 25460 1402 1 4 . 1 1 21 21 PRO C C 21 175.770 175.770 176.096 -0.326 25460 1403 1 4 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.552 -8.032 25460 1404 1 4 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.250 0.710 25460 1405 1 4 . 1 1 22 22 ALA N N 22 124.420 124.420 121.550 2.870 25460 1406 1 4 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.485 -0.152 25460 1407 1 4 . 1 1 22 22 ALA C C 22 176.920 176.920 177.296 -0.376 25460 1408 1 4 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.630 0.720 25460 1409 1 4 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.938 -0.748 25460 1410 1 4 . 1 1 22 22 ALA H H 22 8.235 8.235 7.536 0.699 25460 1411 1 4 . 1 1 23 23 ARG N N 23 120.140 120.140 120.733 -0.593 25460 1412 1 4 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.604 -0.261 25460 1413 1 4 . 1 1 23 23 ARG C C 23 176.220 176.220 176.215 0.005 25460 1414 1 4 . 1 1 23 23 ARG CA C 23 57.000 57.000 57.133 -0.133 25460 1415 1 4 . 1 1 23 23 ARG CB C 23 33.490 33.490 32.968 0.523 25460 1416 1 4 . 1 1 23 23 ARG H H 23 9.271 9.271 9.127 0.144 25460 1417 1 4 . 1 1 24 24 PHE N N 24 119.130 119.130 117.653 1.477 25460 1418 1 4 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.673 -0.291 25460 1419 1 4 . 1 1 24 24 PHE C C 24 175.910 175.910 174.454 1.456 25460 1420 1 4 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.314 0.536 25460 1421 1 4 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.832 -0.272 25460 1422 1 4 . 1 1 24 24 PHE H H 24 9.270 9.270 8.683 0.587 25460 1423 1 4 . 1 1 25 25 CYS N N 25 116.300 116.300 118.585 -2.285 25460 1424 1 4 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.455 -0.136 25460 1425 1 4 . 1 1 25 25 CYS C C 25 172.990 172.990 174.115 -1.125 25460 1426 1 4 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.829 -3.629 25460 1427 1 4 . 1 1 25 25 CYS CB C 25 39.740 39.740 29.734 10.006 25460 1428 1 4 . 1 1 25 25 CYS H H 25 9.254 9.254 9.354 -0.100 25460 1429 1 4 . 1 1 26 26 VAL N N 26 126.290 126.290 123.021 3.269 25460 1430 1 4 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.387 -0.005 25460 1431 1 4 . 1 1 26 26 VAL C C 26 174.520 174.520 174.986 -0.466 25460 1432 1 4 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.015 -0.275 25460 1433 1 4 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.534 -0.154 25460 1434 1 4 . 1 1 26 26 VAL H H 26 9.512 9.512 8.910 0.602 25460 1435 1 4 . 1 1 27 27 TYR N N 27 123.620 123.620 126.353 -2.733 25460 1436 1 4 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.695 -0.551 25460 1437 1 4 . 1 1 27 27 TYR C C 27 175.400 175.400 175.408 -0.008 25460 1438 1 4 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.570 1.530 25460 1439 1 4 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.383 0.478 25460 1440 1 4 . 1 1 27 27 TYR H H 27 8.240 8.240 9.029 -0.789 25460 1441 1 4 . 1 1 28 28 TYR N N 28 119.740 119.740 119.745 -0.005 25460 1442 1 4 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.216 0.057 25460 1443 1 4 . 1 1 28 28 TYR C C 28 174.590 174.590 174.627 -0.037 25460 1444 1 4 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.272 0.628 25460 1445 1 4 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.745 1.345 25460 1446 1 4 . 1 1 28 28 TYR H H 28 9.448 9.448 9.261 0.187 25460 1447 1 4 . 1 1 29 29 ASP N N 29 118.650 118.650 122.754 -4.104 25460 1448 1 4 . 1 1 29 29 ASP HA H 29 5.255 5.255 4.991 0.264 25460 1449 1 4 . 1 1 29 29 ASP C C 29 177.670 177.670 176.070 1.600 25460 1450 1 4 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.291 -1.491 25460 1451 1 4 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.461 -0.111 25460 1452 1 4 . 1 1 29 29 ASP H H 29 8.995 8.995 9.070 -0.075 25460 1453 1 4 . 1 1 30 30 GLY N N 30 114.740 114.740 115.933 -1.193 25460 1454 1 4 . 1 1 30 30 GLY C C 30 173.320 173.320 172.904 0.416 25460 1455 1 4 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.105 -0.995 25460 1456 1 4 . 1 1 30 30 GLY H H 30 9.046 9.046 8.841 0.205 25460 1457 1 4 . 1 1 31 31 HIS N N 31 113.880 113.880 116.300 -2.420 25460 1458 1 4 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.595 -0.102 25460 1459 1 4 . 1 1 31 31 HIS C C 31 175.230 175.230 174.503 0.727 25460 1460 1 4 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.694 0.286 25460 1461 1 4 . 1 1 31 31 HIS CB C 31 30.630 30.630 29.973 0.657 25460 1462 1 4 . 1 1 31 31 HIS H H 31 8.306 8.306 8.454 -0.148 25460 1463 1 4 . 1 1 32 32 LEU N N 32 124.060 124.060 123.128 0.932 25460 1464 1 4 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.600 0.224 25460 1465 1 4 . 1 1 32 32 LEU C C 32 176.030 176.030 176.135 -0.105 25460 1466 1 4 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.539 1.541 25460 1467 1 4 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.377 -1.837 25460 1468 1 4 . 1 1 32 32 LEU H H 32 8.477 8.477 7.440 1.037 25460 1469 1 4 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.143 -0.390 25460 1470 1 4 . 1 1 33 33 PRO C C 33 177.880 177.880 177.523 0.357 25460 1471 1 4 . 1 1 33 33 PRO CA C 33 65.500 65.500 65.046 0.454 25460 1472 1 4 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.720 0.051 25460 1473 1 4 . 1 1 34 34 ALA N N 34 115.220 115.220 117.912 -2.692 25460 1474 1 4 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.292 -0.099 25460 1475 1 4 . 1 1 34 34 ALA C C 34 179.120 179.120 177.943 1.177 25460 1476 1 4 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.376 1.234 25460 1477 1 4 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.769 0.661 25460 1478 1 4 . 1 1 34 34 ALA H H 34 8.193 8.193 8.119 0.074 25460 1479 1 4 . 1 1 35 35 THR N N 35 102.120 102.120 112.174 -10.054 25460 1480 1 4 . 1 1 35 35 THR HA H 35 4.597 4.597 4.436 0.161 25460 1481 1 4 . 1 1 35 35 THR C C 35 175.610 175.610 173.640 1.970 25460 1482 1 4 . 1 1 35 35 THR CA C 35 60.400 60.400 61.729 -1.329 25460 1483 1 4 . 1 1 35 35 THR CB C 35 70.550 70.550 70.087 0.464 25460 1484 1 4 . 1 1 35 35 THR H H 35 7.187 7.187 7.766 -0.579 25460 1485 1 4 . 1 1 36 36 ARG N N 36 122.520 122.520 122.337 0.183 25460 1486 1 4 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.946 -0.183 25460 1487 1 4 . 1 1 36 36 ARG C C 36 175.220 175.220 175.621 -0.401 25460 1488 1 4 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.985 1.105 25460 1489 1 4 . 1 1 36 36 ARG CB C 36 29.880 29.880 31.189 -1.308 25460 1490 1 4 . 1 1 36 36 ARG H H 36 7.918 7.918 7.606 0.312 25460 1491 1 4 . 1 1 37 37 VAL N N 37 122.110 122.110 124.657 -2.547 25460 1492 1 4 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.271 0.070 25460 1493 1 4 . 1 1 37 37 VAL C C 37 175.690 175.690 175.263 0.427 25460 1494 1 4 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.584 0.746 25460 1495 1 4 . 1 1 37 37 VAL CB C 37 35.050 35.050 32.916 2.134 25460 1496 1 4 . 1 1 37 37 VAL H H 37 8.603 8.603 8.588 0.015 25460 1497 1 4 . 1 1 38 38 LEU N N 38 130.470 130.470 129.906 0.564 25460 1498 1 4 . 1 1 38 38 LEU HA H 38 3.769 3.769 3.997 -0.228 25460 1499 1 4 . 1 1 38 38 LEU C C 38 176.510 176.510 175.971 0.539 25460 1500 1 4 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.312 1.058 25460 1501 1 4 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.405 0.415 25460 1502 1 4 . 1 1 38 38 LEU H H 38 8.708 8.708 8.854 -0.146 25460 1503 1 4 . 1 1 39 39 LEU N N 39 126.440 126.440 128.884 -2.444 25460 1504 1 4 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.374 0.253 25460 1505 1 4 . 1 1 39 39 LEU C C 39 176.800 176.800 177.156 -0.356 25460 1506 1 4 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.946 -0.216 25460 1507 1 4 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.063 -0.733 25460 1508 1 4 . 1 1 39 39 LEU H H 39 9.254 9.254 9.021 0.233 25460 1509 1 4 . 1 1 40 40 MET N N 40 114.550 114.550 111.394 3.156 25460 1510 1 4 . 1 1 40 40 MET HA H 40 4.471 4.471 4.687 -0.216 25460 1511 1 4 . 1 1 40 40 MET C C 40 173.750 173.750 173.526 0.224 25460 1512 1 4 . 1 1 40 40 MET CA C 40 56.040 56.040 54.831 1.210 25460 1513 1 4 . 1 1 40 40 MET CB C 40 36.880 36.880 35.347 1.532 25460 1514 1 4 . 1 1 40 40 MET H H 40 7.054 7.054 7.499 -0.445 25460 1515 1 4 . 1 1 41 41 TYR N N 41 123.270 123.270 119.279 3.991 25460 1516 1 4 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.709 -0.896 25460 1517 1 4 . 1 1 41 41 TYR C C 41 175.680 175.680 175.751 -0.071 25460 1518 1 4 . 1 1 41 41 TYR CA C 41 57.940 57.940 56.942 0.998 25460 1519 1 4 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.775 -0.315 25460 1520 1 4 . 1 1 41 41 TYR H H 41 8.563 8.563 8.613 -0.050 25460 1521 1 4 . 1 1 42 42 VAL N N 42 123.930 123.930 121.191 2.739 25460 1522 1 4 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.470 -0.061 25460 1523 1 4 . 1 1 42 42 VAL C C 42 175.600 175.600 174.897 0.703 25460 1524 1 4 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.958 0.522 25460 1525 1 4 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.052 0.258 25460 1526 1 4 . 1 1 42 42 VAL H H 42 9.442 9.442 9.290 0.152 25460 1527 1 4 . 1 1 43 43 ARG N N 43 129.290 129.290 124.741 4.549 25460 1528 1 4 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.578 -0.654 25460 1529 1 4 . 1 1 43 43 ARG C C 43 177.010 177.010 177.035 -0.025 25460 1530 1 4 . 1 1 43 43 ARG CA C 43 56.760 56.760 54.478 2.282 25460 1531 1 4 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.471 -0.491 25460 1532 1 4 . 1 1 43 43 ARG H H 43 8.940 8.940 8.515 0.425 25460 1533 1 4 . 1 1 44 44 ILE N N 44 128.260 128.260 123.965 4.295 25460 1534 1 4 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.887 -0.201 25460 1535 1 4 . 1 1 44 44 ILE C C 44 177.020 177.020 177.202 -0.182 25460 1536 1 4 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.256 2.674 25460 1537 1 4 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.199 2.041 25460 1538 1 4 . 1 1 44 44 ILE H H 44 8.345 8.345 8.288 0.057 25460 1539 1 4 . 1 1 45 45 GLY N N 45 115.530 115.530 116.693 -1.163 25460 1540 1 4 . 1 1 45 45 GLY C C 45 174.860 174.860 173.838 1.022 25460 1541 1 4 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.733 -0.492 25460 1542 1 4 . 1 1 45 45 GLY H H 45 9.423 9.423 9.086 0.337 25460 1543 1 4 . 1 1 46 46 THR N N 46 111.410 111.410 113.589 -2.179 25460 1544 1 4 . 1 1 46 46 THR HA H 46 4.974 4.974 4.687 0.287 25460 1545 1 4 . 1 1 46 46 THR C C 46 172.310 172.310 173.803 -1.493 25460 1546 1 4 . 1 1 46 46 THR CA C 46 60.280 60.280 60.276 0.004 25460 1547 1 4 . 1 1 46 46 THR CB C 46 72.160 72.160 70.786 1.374 25460 1548 1 4 . 1 1 46 46 THR H H 46 7.925 7.925 7.990 -0.065 25460 1549 1 4 . 1 1 47 47 THR N N 47 109.430 109.430 112.969 -3.539 25460 1550 1 4 . 1 1 47 47 THR HA H 47 5.383 5.383 5.093 0.290 25460 1551 1 4 . 1 1 47 47 THR C C 47 174.560 174.560 173.716 0.844 25460 1552 1 4 . 1 1 47 47 THR CA C 47 59.240 59.240 60.365 -1.125 25460 1553 1 4 . 1 1 47 47 THR CB C 47 71.840 71.840 70.445 1.395 25460 1554 1 4 . 1 1 47 47 THR H H 47 7.784 7.784 8.261 -0.477 25460 1555 1 4 . 1 1 48 48 ALA N N 48 122.630 122.630 126.148 -3.518 25460 1556 1 4 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.698 -0.040 25460 1557 1 4 . 1 1 48 48 ALA C C 48 175.620 175.620 175.602 0.018 25460 1558 1 4 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.199 0.401 25460 1559 1 4 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.210 2.200 25460 1560 1 4 . 1 1 48 48 ALA H H 48 8.681 8.681 8.937 -0.256 25460 1561 1 4 . 1 1 49 49 THR N N 49 116.020 116.020 119.076 -3.056 25460 1562 1 4 . 1 1 49 49 THR HA H 49 4.914 4.914 4.794 0.120 25460 1563 1 4 . 1 1 49 49 THR C C 49 174.400 174.400 173.679 0.721 25460 1564 1 4 . 1 1 49 49 THR CA C 49 62.320 62.320 62.067 0.253 25460 1565 1 4 . 1 1 49 49 THR CB C 49 69.260 69.260 68.352 0.908 25460 1566 1 4 . 1 1 49 49 THR H H 49 8.347 8.347 8.436 -0.089 25460 1567 1 4 . 1 1 50 50 ILE N N 50 126.050 126.050 128.709 -2.659 25460 1568 1 4 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.271 0.165 25460 1569 1 4 . 1 1 50 50 ILE C C 50 175.080 175.080 175.461 -0.381 25460 1570 1 4 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.958 0.552 25460 1571 1 4 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.943 1.727 25460 1572 1 4 . 1 1 50 50 ILE H H 50 9.199 9.199 9.044 0.155 25460 1573 1 4 . 1 1 51 51 THR N N 51 120.630 120.630 122.546 -1.916 25460 1574 1 4 . 1 1 51 51 THR HA H 51 5.312 5.312 5.497 -0.185 25460 1575 1 4 . 1 1 51 51 THR C C 51 174.250 174.250 173.399 0.851 25460 1576 1 4 . 1 1 51 51 THR CA C 51 61.030 61.030 61.358 -0.328 25460 1577 1 4 . 1 1 51 51 THR CB C 51 69.850 69.850 70.171 -0.321 25460 1578 1 4 . 1 1 51 51 THR H H 51 8.500 8.500 8.583 -0.083 25460 1579 1 4 . 1 1 52 52 ALA N N 52 127.710 127.710 127.586 0.124 25460 1580 1 4 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.986 -0.275 25460 1581 1 4 . 1 1 52 52 ALA C C 52 176.530 176.530 176.967 -0.437 25460 1582 1 4 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.279 0.701 25460 1583 1 4 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.751 0.969 25460 1584 1 4 . 1 1 52 52 ALA H H 52 9.202 9.202 9.243 -0.041 25460 1585 1 4 . 1 1 53 53 ARG N N 53 118.780 118.780 122.238 -3.458 25460 1586 1 4 . 1 1 53 53 ARG HA H 53 3.856 3.856 4.000 -0.144 25460 1587 1 4 . 1 1 53 53 ARG C C 53 177.070 177.070 175.883 1.187 25460 1588 1 4 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.679 0.351 25460 1589 1 4 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.954 -0.914 25460 1590 1 4 . 1 1 53 53 ARG H H 53 9.303 9.303 9.250 0.053 25460 1591 1 4 . 1 1 54 54 GLY N N 54 104.070 104.070 103.642 0.428 25460 1592 1 4 . 1 1 54 54 GLY C C 54 174.110 174.110 173.706 0.404 25460 1593 1 4 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.027 0.333 25460 1594 1 4 . 1 1 54 54 GLY H H 54 8.714 8.714 8.486 0.228 25460 1595 1 4 . 1 1 55 55 HIS N N 55 119.170 119.170 119.434 -0.264 25460 1596 1 4 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.632 0.144 25460 1597 1 4 . 1 1 55 55 HIS C C 55 172.310 172.310 173.564 -1.254 25460 1598 1 4 . 1 1 55 55 HIS CA C 55 54.030 54.030 54.993 -0.963 25460 1599 1 4 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.890 0.210 25460 1600 1 4 . 1 1 55 55 HIS H H 55 8.227 8.227 8.258 -0.031 25460 1601 1 4 . 1 1 56 56 GLU N N 56 119.640 119.640 121.613 -1.973 25460 1602 1 4 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.066 0.021 25460 1603 1 4 . 1 1 56 56 GLU C C 56 176.150 176.150 175.467 0.683 25460 1604 1 4 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.532 -0.443 25460 1605 1 4 . 1 1 56 56 GLU CB C 56 31.780 31.780 31.021 0.759 25460 1606 1 4 . 1 1 56 56 GLU H H 56 8.024 8.024 8.574 -0.550 25460 1607 1 4 . 1 1 57 57 PHE N N 57 121.660 121.660 124.541 -2.881 25460 1608 1 4 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.743 0.031 25460 1609 1 4 . 1 1 57 57 PHE C C 57 173.930 173.930 174.378 -0.448 25460 1610 1 4 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.855 -0.385 25460 1611 1 4 . 1 1 57 57 PHE CB C 57 41.450 41.450 41.658 -0.208 25460 1612 1 4 . 1 1 57 57 PHE H H 57 9.219 9.219 9.298 -0.079 25460 1613 1 4 . 1 1 58 58 GLU N N 58 125.630 125.630 126.608 -0.978 25460 1614 1 4 . 1 1 58 58 GLU HA H 58 5.224 5.224 5.170 0.054 25460 1615 1 4 . 1 1 58 58 GLU C C 58 175.820 175.820 175.863 -0.043 25460 1616 1 4 . 1 1 58 58 GLU CA C 58 55.460 55.460 54.939 0.521 25460 1617 1 4 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.952 -0.002 25460 1618 1 4 . 1 1 58 58 GLU H H 58 8.597 8.597 8.894 -0.297 25460 1619 1 4 . 1 1 59 59 VAL N N 59 120.690 120.690 120.818 -0.128 25460 1620 1 4 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.977 0.438 25460 1621 1 4 . 1 1 59 59 VAL C C 59 174.790 174.790 174.099 0.691 25460 1622 1 4 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.035 -0.485 25460 1623 1 4 . 1 1 59 59 VAL CB C 59 34.150 34.150 36.004 -1.854 25460 1624 1 4 . 1 1 59 59 VAL H H 59 8.809 8.809 9.138 -0.329 25460 1625 1 4 . 1 1 60 60 GLU N N 60 118.570 118.570 119.692 -1.122 25460 1626 1 4 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.941 -0.324 25460 1627 1 4 . 1 1 60 60 GLU C C 60 176.050 176.050 175.789 0.261 25460 1628 1 4 . 1 1 60 60 GLU CA C 60 54.180 54.180 53.854 0.326 25460 1629 1 4 . 1 1 60 60 GLU CB C 60 32.050 32.050 31.700 0.350 25460 1630 1 4 . 1 1 60 60 GLU H H 60 8.024 8.024 9.129 -1.105 25460 1631 1 4 . 1 1 61 61 ALA N N 61 132.630 132.630 129.614 3.016 25460 1632 1 4 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.666 0.033 25460 1633 1 4 . 1 1 61 61 ALA C C 61 176.260 176.260 176.761 -0.501 25460 1634 1 4 . 1 1 61 61 ALA CA C 61 50.520 50.520 50.846 -0.327 25460 1635 1 4 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.036 -0.326 25460 1636 1 4 . 1 1 61 61 ALA H H 61 8.230 8.230 8.974 -0.744 25460 1637 1 4 . 1 1 62 62 LYS N N 62 126.080 126.080 119.835 6.245 25460 1638 1 4 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.152 -0.154 25460 1639 1 4 . 1 1 62 62 LYS C C 62 177.030 177.030 176.076 0.954 25460 1640 1 4 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.691 1.899 25460 1641 1 4 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.654 1.886 25460 1642 1 4 . 1 1 62 62 LYS H H 62 9.070 9.070 7.771 1.299 25460 1643 1 4 . 1 1 63 63 ASP N N 63 110.550 110.550 118.656 -8.106 25460 1644 1 4 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.785 -0.399 25460 1645 1 4 . 1 1 63 63 ASP C C 63 175.810 175.810 176.614 -0.804 25460 1646 1 4 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.287 0.863 25460 1647 1 4 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.309 -2.059 25460 1648 1 4 . 1 1 63 63 ASP H H 63 7.507 7.507 7.609 -0.102 25460 1649 1 4 . 1 1 64 64 GLN N N 64 112.740 112.740 123.306 -10.566 25460 1650 1 4 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.191 -0.090 25460 1651 1 4 . 1 1 64 64 GLN C C 64 175.950 175.950 175.303 0.647 25460 1652 1 4 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.600 0.090 25460 1653 1 4 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.108 -0.268 25460 1654 1 4 . 1 1 64 64 GLN H H 64 8.410 8.410 8.801 -0.391 25460 1655 1 4 . 1 1 65 65 ASN N N 65 117.790 117.790 116.714 1.076 25460 1656 1 4 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.902 -0.323 25460 1657 1 4 . 1 1 65 65 ASN C C 65 177.250 177.250 174.564 2.686 25460 1658 1 4 . 1 1 65 65 ASN CA C 65 55.120 55.120 52.586 2.534 25460 1659 1 4 . 1 1 65 65 ASN CB C 65 37.910 37.910 41.093 -3.183 25460 1660 1 4 . 1 1 65 65 ASN H H 65 8.747 8.747 7.863 0.884 25460 1661 1 4 . 1 1 66 66 CYS N N 66 112.640 112.640 116.853 -4.213 25460 1662 1 4 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.199 0.226 25460 1663 1 4 . 1 1 66 66 CYS C C 66 174.970 174.970 174.297 0.673 25460 1664 1 4 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.720 -3.590 25460 1665 1 4 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.594 11.566 25460 1666 1 4 . 1 1 66 66 CYS H H 66 8.527 8.527 7.953 0.574 25460 1667 1 4 . 1 1 67 67 LYS N N 67 116.240 116.240 120.802 -4.562 25460 1668 1 4 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.284 -0.107 25460 1669 1 4 . 1 1 67 67 LYS C C 67 178.480 178.480 176.005 2.475 25460 1670 1 4 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.659 2.201 25460 1671 1 4 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.189 0.931 25460 1672 1 4 . 1 1 67 67 LYS H H 67 8.014 8.014 8.172 -0.158 25460 1673 1 4 . 1 1 68 68 VAL N N 68 126.980 126.980 126.090 0.890 25460 1674 1 4 . 1 1 68 68 VAL HA H 68 3.675 3.675 3.957 -0.282 25460 1675 1 4 . 1 1 68 68 VAL C C 68 174.460 174.460 174.695 -0.235 25460 1676 1 4 . 1 1 68 68 VAL CA C 68 64.750 64.750 62.712 2.038 25460 1677 1 4 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.695 -1.535 25460 1678 1 4 . 1 1 68 68 VAL H H 68 8.967 8.967 7.782 1.185 25460 1679 1 4 . 1 1 69 69 ILE N N 69 132.540 132.540 128.521 4.019 25460 1680 1 4 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.347 -0.168 25460 1681 1 4 . 1 1 69 69 ILE C C 69 175.060 175.060 174.766 0.294 25460 1682 1 4 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.597 0.963 25460 1683 1 4 . 1 1 69 69 ILE CB C 69 41.490 41.490 41.880 -0.390 25460 1684 1 4 . 1 1 69 69 ILE H H 69 8.689 8.689 7.872 0.817 25460 1685 1 4 . 1 1 70 70 LEU N N 70 125.290 125.290 125.321 -0.031 25460 1686 1 4 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.642 0.656 25460 1687 1 4 . 1 1 70 70 LEU C C 70 180.800 180.800 179.101 1.699 25460 1688 1 4 . 1 1 70 70 LEU CA C 70 53.190 53.190 55.535 -2.345 25460 1689 1 4 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.816 -1.666 25460 1690 1 4 . 1 1 70 70 LEU H H 70 8.829 8.829 9.164 -0.335 25460 1691 1 4 . 1 1 71 71 THR N N 71 115.510 115.510 114.528 0.982 25460 1692 1 4 . 1 1 71 71 THR HA H 71 4.094 4.094 4.417 -0.323 25460 1693 1 4 . 1 1 71 71 THR C C 71 176.240 176.240 175.721 0.519 25460 1694 1 4 . 1 1 71 71 THR CA C 71 63.950 63.950 64.572 -0.622 25460 1695 1 4 . 1 1 71 71 THR CB C 71 68.280 68.280 68.709 -0.429 25460 1696 1 4 . 1 1 71 71 THR H H 71 8.546 8.546 8.845 -0.298 25460 1697 1 4 . 1 1 72 72 ASN N N 72 117.010 117.010 118.945 -1.935 25460 1698 1 4 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.732 -0.168 25460 1699 1 4 . 1 1 72 72 ASN C C 72 177.340 177.340 176.059 1.281 25460 1700 1 4 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.460 -0.750 25460 1701 1 4 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.474 -1.254 25460 1702 1 4 . 1 1 72 72 ASN H H 72 8.162 8.162 8.235 -0.073 25460 1703 1 4 . 1 1 73 73 GLY N N 73 106.660 106.660 106.712 -0.052 25460 1704 1 4 . 1 1 73 73 GLY C C 73 175.020 175.020 173.588 1.432 25460 1705 1 4 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.172 0.528 25460 1706 1 4 . 1 1 73 73 GLY H H 73 7.985 7.985 7.830 0.155 25460 1707 1 4 . 1 1 74 74 LYS N N 74 120.730 120.730 119.691 1.039 25460 1708 1 4 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.524 -0.226 25460 1709 1 4 . 1 1 74 74 LYS C C 74 175.720 175.720 175.423 0.297 25460 1710 1 4 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.419 1.311 25460 1711 1 4 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.866 -1.376 25460 1712 1 4 . 1 1 74 74 LYS H H 74 7.820 7.820 7.647 0.173 25460 1713 1 4 . 1 1 75 75 GLN N N 75 119.590 119.590 121.712 -2.122 25460 1714 1 4 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.143 0.013 25460 1715 1 4 . 1 1 75 75 GLN C C 75 176.490 176.490 175.601 0.889 25460 1716 1 4 . 1 1 75 75 GLN CA C 75 55.580 55.580 56.184 -0.604 25460 1717 1 4 . 1 1 75 75 GLN CB C 75 29.020 29.020 29.505 -0.485 25460 1718 1 4 . 1 1 75 75 GLN H H 75 8.273 8.273 8.671 -0.398 25460 1719 1 4 . 1 1 76 76 ALA N N 76 129.340 129.340 129.884 -0.544 25460 1720 1 4 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.363 -0.197 25460 1721 1 4 . 1 1 76 76 ALA C C 76 174.920 174.920 175.348 -0.428 25460 1722 1 4 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.481 -0.401 25460 1723 1 4 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.870 0.010 25460 1724 1 4 . 1 1 76 76 ALA H H 76 8.698 8.698 8.115 0.583 25460 1725 1 4 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.055 0.182 25460 1726 1 4 . 1 1 77 77 PRO C C 77 178.170 178.170 177.271 0.899 25460 1727 1 4 . 1 1 77 77 PRO CA C 77 62.170 62.170 63.012 -0.842 25460 1728 1 4 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.462 0.008 25460 1729 1 4 . 1 1 78 78 ASP N N 78 121.040 121.040 122.248 -1.208 25460 1730 1 4 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.203 0.014 25460 1731 1 4 . 1 1 78 78 ASP C C 78 176.610 176.610 176.869 -0.259 25460 1732 1 4 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.627 -0.126 25460 1733 1 4 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.355 0.175 25460 1734 1 4 . 1 1 78 78 ASP H H 78 8.607 8.607 8.409 0.198 25460 1735 1 4 . 1 1 79 79 TRP N N 79 114.440 114.440 113.379 1.061 25460 1736 1 4 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.630 -0.138 25460 1737 1 4 . 1 1 79 79 TRP C C 79 175.280 175.280 175.470 -0.190 25460 1738 1 4 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.782 -1.153 25460 1739 1 4 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.160 -0.020 25460 1740 1 4 . 1 1 79 79 TRP H H 79 6.768 6.768 7.473 -0.705 25460 1741 1 4 . 1 1 80 80 LEU N N 80 123.450 123.450 124.280 -0.830 25460 1742 1 4 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.727 0.034 25460 1743 1 4 . 1 1 80 80 LEU C C 80 174.270 174.270 175.355 -1.085 25460 1744 1 4 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.587 1.263 25460 1745 1 4 . 1 1 80 80 LEU CB C 80 41.890 41.890 40.925 0.965 25460 1746 1 4 . 1 1 80 80 LEU H H 80 6.577 6.577 6.844 -0.267 25460 1747 1 4 . 1 1 81 81 ALA N N 81 130.910 130.910 130.245 0.665 25460 1748 1 4 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.627 0.040 25460 1749 1 4 . 1 1 81 81 ALA C C 81 175.210 175.210 175.263 -0.053 25460 1750 1 4 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.795 -0.485 25460 1751 1 4 . 1 1 81 81 ALA CB C 81 23.270 23.270 21.853 1.417 25460 1752 1 4 . 1 1 81 81 ALA H H 81 9.037 9.037 8.749 0.288 25460 1753 1 4 . 1 1 82 82 ALA N N 82 119.120 119.120 126.731 -7.611 25460 1754 1 4 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.264 0.413 25460 1755 1 4 . 1 1 82 82 ALA C C 82 177.280 177.280 175.904 1.376 25460 1756 1 4 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.386 0.624 25460 1757 1 4 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.072 1.168 25460 1758 1 4 . 1 1 82 82 ALA H H 82 8.159 8.159 8.364 -0.205 25460 1759 1 4 . 1 1 83 83 GLU N N 83 116.910 116.910 121.861 -4.951 25460 1760 1 4 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.947 -0.009 25460 1761 1 4 . 1 1 83 83 GLU C C 83 172.560 172.560 174.212 -1.652 25460 1762 1 4 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.202 0.808 25460 1763 1 4 . 1 1 83 83 GLU CB C 83 32.470 32.470 30.903 1.567 25460 1764 1 4 . 1 1 83 83 GLU H H 83 8.614 8.614 8.446 0.168 25460 1765 1 4 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.607 0.906 25460 1766 1 4 . 1 1 84 84 PRO C C 84 177.340 177.340 175.692 1.648 25460 1767 1 4 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.649 -0.719 25460 1768 1 4 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.637 0.783 25460 1769 1 5 . 1 1 8 8 GLY N N 8 110.720 110.720 111.254 -0.534 25460 1770 1 5 . 1 1 8 8 GLY C C 8 174.650 174.650 173.734 0.916 25460 1771 1 5 . 1 1 8 8 GLY CA C 8 45.470 45.470 45.017 0.454 25460 1772 1 5 . 1 1 8 8 GLY H H 8 8.462 8.462 8.481 -0.019 25460 1773 1 5 . 1 1 9 9 ARG N N 9 120.430 120.430 121.903 -1.473 25460 1774 1 5 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.372 -0.054 25460 1775 1 5 . 1 1 9 9 ARG C C 9 176.790 176.790 175.976 0.814 25460 1776 1 5 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.802 0.538 25460 1777 1 5 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.442 0.088 25460 1778 1 5 . 1 1 9 9 ARG H H 9 8.206 8.206 8.373 -0.167 25460 1779 1 5 . 1 1 10 10 GLU N N 10 121.220 121.220 121.162 0.058 25460 1780 1 5 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.207 0.003 25460 1781 1 5 . 1 1 10 10 GLU C C 10 176.600 176.600 175.270 1.330 25460 1782 1 5 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.373 0.896 25460 1783 1 5 . 1 1 10 10 GLU CB C 10 29.780 29.780 29.061 0.719 25460 1784 1 5 . 1 1 10 10 GLU H H 10 8.562 8.562 8.121 0.441 25460 1785 1 5 . 1 1 11 11 ASN N N 11 118.900 118.900 123.675 -4.775 25460 1786 1 5 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.755 -0.085 25460 1787 1 5 . 1 1 11 11 ASN C C 11 175.420 175.420 174.861 0.559 25460 1788 1 5 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.599 0.851 25460 1789 1 5 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.417 -0.707 25460 1790 1 5 . 1 1 11 11 ASN H H 11 8.337 8.337 8.194 0.143 25460 1791 1 5 . 1 1 12 12 LEU N N 12 121.830 121.830 126.943 -5.113 25460 1792 1 5 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.039 0.153 25460 1793 1 5 . 1 1 12 12 LEU C C 12 177.290 177.290 175.427 1.863 25460 1794 1 5 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.683 0.947 25460 1795 1 5 . 1 1 12 12 LEU CB C 12 42.260 42.260 39.677 2.583 25460 1796 1 5 . 1 1 12 12 LEU H H 12 7.988 7.988 8.360 -0.372 25460 1797 1 5 . 1 1 13 13 TYR N N 13 119.550 119.550 126.241 -6.691 25460 1798 1 5 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.506 -0.008 25460 1799 1 5 . 1 1 13 13 TYR C C 13 175.950 175.950 174.600 1.350 25460 1800 1 5 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.031 0.899 25460 1801 1 5 . 1 1 13 13 TYR CB C 13 38.590 38.590 39.603 -1.013 25460 1802 1 5 . 1 1 13 13 TYR H H 13 7.966 7.966 8.032 -0.066 25460 1803 1 5 . 1 1 14 14 PHE N N 14 121.130 121.130 127.903 -6.773 25460 1804 1 5 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.407 0.117 25460 1805 1 5 . 1 1 14 14 PHE C C 14 175.820 175.820 175.352 0.468 25460 1806 1 5 . 1 1 14 14 PHE CA C 14 57.950 57.950 57.291 0.659 25460 1807 1 5 . 1 1 14 14 PHE CB C 14 39.510 39.510 38.979 0.531 25460 1808 1 5 . 1 1 14 14 PHE H H 14 8.006 8.006 8.554 -0.548 25460 1809 1 5 . 1 1 15 15 GLN N N 15 121.840 121.840 126.373 -4.533 25460 1810 1 5 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.459 -0.274 25460 1811 1 5 . 1 1 15 15 GLN C C 15 176.420 176.420 177.065 -0.645 25460 1812 1 5 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.198 0.982 25460 1813 1 5 . 1 1 15 15 GLN CB C 15 29.110 29.110 28.322 0.788 25460 1814 1 5 . 1 1 15 15 GLN H H 15 8.217 8.217 8.539 -0.322 25460 1815 1 5 . 1 1 16 16 GLY N N 16 108.430 108.430 116.640 -8.210 25460 1816 1 5 . 1 1 16 16 GLY C C 16 174.140 174.140 174.410 -0.270 25460 1817 1 5 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.268 0.042 25460 1818 1 5 . 1 1 16 16 GLY H H 16 7.907 7.907 8.643 -0.736 25460 1819 1 5 . 1 1 17 17 HIS N N 17 117.990 117.990 120.822 -2.832 25460 1820 1 5 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.544 -0.667 25460 1821 1 5 . 1 1 17 17 HIS C C 17 174.610 174.610 175.119 -0.509 25460 1822 1 5 . 1 1 17 17 HIS CA C 17 55.430 55.430 57.601 -2.171 25460 1823 1 5 . 1 1 17 17 HIS CB C 17 29.280 29.280 30.736 -1.456 25460 1824 1 5 . 1 1 17 17 HIS H H 17 8.250 8.250 8.141 0.109 25460 1825 1 5 . 1 1 18 18 MET N N 18 121.430 121.430 119.548 1.882 25460 1826 1 5 . 1 1 18 18 MET HA H 18 4.395 4.395 4.611 -0.216 25460 1827 1 5 . 1 1 18 18 MET C C 18 175.750 175.750 175.078 0.672 25460 1828 1 5 . 1 1 18 18 MET CA C 18 55.660 55.660 54.574 1.086 25460 1829 1 5 . 1 1 18 18 MET CB C 18 32.740 32.740 34.459 -1.719 25460 1830 1 5 . 1 1 18 18 MET H H 18 8.320 8.320 7.588 0.732 25460 1831 1 5 . 1 1 19 19 ALA N N 19 125.550 125.550 125.251 0.299 25460 1832 1 5 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.453 -0.181 25460 1833 1 5 . 1 1 19 19 ALA C C 19 176.950 176.950 175.989 0.961 25460 1834 1 5 . 1 1 19 19 ALA CA C 19 52.260 52.260 52.295 -0.035 25460 1835 1 5 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.840 0.290 25460 1836 1 5 . 1 1 19 19 ALA H H 19 8.262 8.262 8.606 -0.344 25460 1837 1 5 . 1 1 20 20 ALA N N 20 124.430 124.430 122.308 2.122 25460 1838 1 5 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.721 -0.185 25460 1839 1 5 . 1 1 20 20 ALA C C 20 175.390 175.390 174.622 0.768 25460 1840 1 5 . 1 1 20 20 ALA CA C 20 50.100 50.100 49.480 0.620 25460 1841 1 5 . 1 1 20 20 ALA CB C 20 18.420 18.420 20.437 -2.017 25460 1842 1 5 . 1 1 20 20 ALA H H 20 8.083 8.083 7.511 0.572 25460 1843 1 5 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.631 -0.181 25460 1844 1 5 . 1 1 21 21 PRO C C 21 175.770 175.770 175.569 0.201 25460 1845 1 5 . 1 1 21 21 PRO CA C 21 55.520 55.520 62.684 -7.163 25460 1846 1 5 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.685 0.275 25460 1847 1 5 . 1 1 22 22 ALA N N 22 124.420 124.420 126.882 -2.462 25460 1848 1 5 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.377 -0.044 25460 1849 1 5 . 1 1 22 22 ALA C C 22 176.920 176.920 176.975 -0.055 25460 1850 1 5 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.837 0.513 25460 1851 1 5 . 1 1 22 22 ALA CB C 22 19.190 19.190 20.638 -1.448 25460 1852 1 5 . 1 1 22 22 ALA H H 22 8.235 8.235 8.267 -0.032 25460 1853 1 5 . 1 1 23 23 ARG N N 23 120.140 120.140 119.597 0.543 25460 1854 1 5 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.452 -0.109 25460 1855 1 5 . 1 1 23 23 ARG C C 23 176.220 176.220 174.784 1.436 25460 1856 1 5 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.953 0.047 25460 1857 1 5 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.403 2.087 25460 1858 1 5 . 1 1 23 23 ARG H H 23 9.271 9.271 8.493 0.778 25460 1859 1 5 . 1 1 24 24 PHE N N 24 119.130 119.130 116.086 3.044 25460 1860 1 5 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.520 -0.138 25460 1861 1 5 . 1 1 24 24 PHE C C 24 175.910 175.910 174.329 1.581 25460 1862 1 5 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.523 0.327 25460 1863 1 5 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.751 -0.190 25460 1864 1 5 . 1 1 24 24 PHE H H 24 9.270 9.270 7.753 1.517 25460 1865 1 5 . 1 1 25 25 CYS N N 25 116.300 116.300 118.612 -2.312 25460 1866 1 5 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.342 -0.023 25460 1867 1 5 . 1 1 25 25 CYS C C 25 172.990 172.990 173.772 -0.782 25460 1868 1 5 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.957 -3.757 25460 1869 1 5 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.480 9.260 25460 1870 1 5 . 1 1 25 25 CYS H H 25 9.254 9.254 9.353 -0.099 25460 1871 1 5 . 1 1 26 26 VAL N N 26 126.290 126.290 123.180 3.110 25460 1872 1 5 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.328 0.054 25460 1873 1 5 . 1 1 26 26 VAL C C 26 174.520 174.520 175.041 -0.521 25460 1874 1 5 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.987 -0.247 25460 1875 1 5 . 1 1 26 26 VAL CB C 26 32.380 32.380 31.624 0.756 25460 1876 1 5 . 1 1 26 26 VAL H H 26 9.512 9.512 9.110 0.402 25460 1877 1 5 . 1 1 27 27 TYR N N 27 123.620 123.620 127.767 -4.147 25460 1878 1 5 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.475 -0.331 25460 1879 1 5 . 1 1 27 27 TYR C C 27 175.400 175.400 175.291 0.109 25460 1880 1 5 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.228 0.872 25460 1881 1 5 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.488 0.372 25460 1882 1 5 . 1 1 27 27 TYR H H 27 8.240 8.240 8.985 -0.745 25460 1883 1 5 . 1 1 28 28 TYR N N 28 119.740 119.740 119.599 0.141 25460 1884 1 5 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.303 -0.030 25460 1885 1 5 . 1 1 28 28 TYR C C 28 174.590 174.590 174.901 -0.311 25460 1886 1 5 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.391 0.509 25460 1887 1 5 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.916 1.174 25460 1888 1 5 . 1 1 28 28 TYR H H 28 9.448 9.448 9.303 0.145 25460 1889 1 5 . 1 1 29 29 ASP N N 29 118.650 118.650 123.233 -4.583 25460 1890 1 5 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.033 0.222 25460 1891 1 5 . 1 1 29 29 ASP C C 29 177.670 177.670 176.292 1.378 25460 1892 1 5 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.459 -1.659 25460 1893 1 5 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.557 -0.207 25460 1894 1 5 . 1 1 29 29 ASP H H 29 8.995 8.995 9.068 -0.073 25460 1895 1 5 . 1 1 30 30 GLY N N 30 114.740 114.740 116.291 -1.551 25460 1896 1 5 . 1 1 30 30 GLY C C 30 173.320 173.320 172.855 0.465 25460 1897 1 5 . 1 1 30 30 GLY CA C 30 44.110 44.110 44.932 -0.822 25460 1898 1 5 . 1 1 30 30 GLY H H 30 9.046 9.046 9.161 -0.115 25460 1899 1 5 . 1 1 31 31 HIS N N 31 113.880 113.880 117.260 -3.380 25460 1900 1 5 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.645 -0.152 25460 1901 1 5 . 1 1 31 31 HIS C C 31 175.230 175.230 173.788 1.442 25460 1902 1 5 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.396 0.584 25460 1903 1 5 . 1 1 31 31 HIS CB C 31 30.630 30.630 29.690 0.940 25460 1904 1 5 . 1 1 31 31 HIS H H 31 8.306 8.306 8.396 -0.090 25460 1905 1 5 . 1 1 32 32 LEU N N 32 124.060 124.060 122.965 1.095 25460 1906 1 5 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.689 0.135 25460 1907 1 5 . 1 1 32 32 LEU C C 32 176.030 176.030 175.369 0.661 25460 1908 1 5 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.559 1.521 25460 1909 1 5 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.963 -2.423 25460 1910 1 5 . 1 1 32 32 LEU H H 32 8.477 8.477 7.364 1.113 25460 1911 1 5 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.010 -0.257 25460 1912 1 5 . 1 1 33 33 PRO C C 33 177.880 177.880 178.096 -0.216 25460 1913 1 5 . 1 1 33 33 PRO CA C 33 65.500 65.500 65.560 -0.060 25460 1914 1 5 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.525 0.245 25460 1915 1 5 . 1 1 34 34 ALA N N 34 115.220 115.220 116.774 -1.554 25460 1916 1 5 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.178 0.015 25460 1917 1 5 . 1 1 34 34 ALA C C 34 179.120 179.120 178.758 0.362 25460 1918 1 5 . 1 1 34 34 ALA CA C 34 54.610 54.610 54.092 0.518 25460 1919 1 5 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.754 0.676 25460 1920 1 5 . 1 1 34 34 ALA H H 34 8.193 8.193 7.871 0.322 25460 1921 1 5 . 1 1 35 35 THR N N 35 102.120 102.120 112.225 -10.105 25460 1922 1 5 . 1 1 35 35 THR HA H 35 4.597 4.597 4.408 0.189 25460 1923 1 5 . 1 1 35 35 THR C C 35 175.610 175.610 174.938 0.672 25460 1924 1 5 . 1 1 35 35 THR CA C 35 60.400 60.400 62.186 -1.786 25460 1925 1 5 . 1 1 35 35 THR CB C 35 70.550 70.550 69.696 0.854 25460 1926 1 5 . 1 1 35 35 THR H H 35 7.187 7.187 7.536 -0.349 25460 1927 1 5 . 1 1 36 36 ARG N N 36 122.520 122.520 122.040 0.480 25460 1928 1 5 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.604 0.159 25460 1929 1 5 . 1 1 36 36 ARG C C 36 175.220 175.220 175.983 -0.763 25460 1930 1 5 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.993 0.097 25460 1931 1 5 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.590 -0.710 25460 1932 1 5 . 1 1 36 36 ARG H H 36 7.918 7.918 7.820 0.098 25460 1933 1 5 . 1 1 37 37 VAL N N 37 122.110 122.110 124.539 -2.429 25460 1934 1 5 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.448 -0.107 25460 1935 1 5 . 1 1 37 37 VAL C C 37 175.690 175.690 175.068 0.622 25460 1936 1 5 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.640 0.690 25460 1937 1 5 . 1 1 37 37 VAL CB C 37 35.050 35.050 34.914 0.136 25460 1938 1 5 . 1 1 37 37 VAL H H 37 8.603 8.603 8.748 -0.145 25460 1939 1 5 . 1 1 38 38 LEU N N 38 130.470 130.470 129.494 0.976 25460 1940 1 5 . 1 1 38 38 LEU HA H 38 3.769 3.769 3.965 -0.196 25460 1941 1 5 . 1 1 38 38 LEU C C 38 176.510 176.510 175.936 0.574 25460 1942 1 5 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.370 1.000 25460 1943 1 5 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.507 0.313 25460 1944 1 5 . 1 1 38 38 LEU H H 38 8.708 8.708 8.836 -0.128 25460 1945 1 5 . 1 1 39 39 LEU N N 39 126.440 126.440 128.836 -2.396 25460 1946 1 5 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.361 0.266 25460 1947 1 5 . 1 1 39 39 LEU C C 39 176.800 176.800 177.213 -0.413 25460 1948 1 5 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.086 -0.356 25460 1949 1 5 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.007 -0.676 25460 1950 1 5 . 1 1 39 39 LEU H H 39 9.254 9.254 8.994 0.260 25460 1951 1 5 . 1 1 40 40 MET N N 40 114.550 114.550 111.251 3.299 25460 1952 1 5 . 1 1 40 40 MET HA H 40 4.471 4.471 4.616 -0.145 25460 1953 1 5 . 1 1 40 40 MET C C 40 173.750 173.750 173.539 0.211 25460 1954 1 5 . 1 1 40 40 MET CA C 40 56.040 56.040 54.823 1.217 25460 1955 1 5 . 1 1 40 40 MET CB C 40 36.880 36.880 35.104 1.776 25460 1956 1 5 . 1 1 40 40 MET H H 40 7.054 7.054 7.498 -0.444 25460 1957 1 5 . 1 1 41 41 TYR N N 41 123.270 123.270 119.200 4.070 25460 1958 1 5 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.612 -0.799 25460 1959 1 5 . 1 1 41 41 TYR C C 41 175.680 175.680 176.163 -0.483 25460 1960 1 5 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.073 0.867 25460 1961 1 5 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.388 0.072 25460 1962 1 5 . 1 1 41 41 TYR H H 41 8.563 8.563 8.488 0.075 25460 1963 1 5 . 1 1 42 42 VAL N N 42 123.930 123.930 123.294 0.636 25460 1964 1 5 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.581 -0.172 25460 1965 1 5 . 1 1 42 42 VAL C C 42 175.600 175.600 174.651 0.949 25460 1966 1 5 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.735 0.745 25460 1967 1 5 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.623 -0.313 25460 1968 1 5 . 1 1 42 42 VAL H H 42 9.442 9.442 9.382 0.060 25460 1969 1 5 . 1 1 43 43 ARG N N 43 129.290 129.290 126.951 2.339 25460 1970 1 5 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.163 -0.239 25460 1971 1 5 . 1 1 43 43 ARG C C 43 177.010 177.010 176.182 0.828 25460 1972 1 5 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.556 1.204 25460 1973 1 5 . 1 1 43 43 ARG CB C 43 29.980 29.980 31.080 -1.100 25460 1974 1 5 . 1 1 43 43 ARG H H 43 8.940 8.940 8.729 0.210 25460 1975 1 5 . 1 1 44 44 ILE N N 44 128.260 128.260 126.094 2.166 25460 1976 1 5 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.924 -0.238 25460 1977 1 5 . 1 1 44 44 ILE C C 44 177.020 177.020 176.105 0.915 25460 1978 1 5 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.608 2.322 25460 1979 1 5 . 1 1 44 44 ILE CB C 44 37.240 37.240 36.542 0.698 25460 1980 1 5 . 1 1 44 44 ILE H H 44 8.345 8.345 8.544 -0.199 25460 1981 1 5 . 1 1 45 45 GLY N N 45 115.530 115.530 115.594 -0.064 25460 1982 1 5 . 1 1 45 45 GLY C C 45 174.860 174.860 173.531 1.329 25460 1983 1 5 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.736 -0.496 25460 1984 1 5 . 1 1 45 45 GLY H H 45 9.423 9.423 9.039 0.384 25460 1985 1 5 . 1 1 46 46 THR N N 46 111.410 111.410 113.767 -2.357 25460 1986 1 5 . 1 1 46 46 THR HA H 46 4.974 4.974 4.713 0.261 25460 1987 1 5 . 1 1 46 46 THR C C 46 172.310 172.310 173.374 -1.064 25460 1988 1 5 . 1 1 46 46 THR CA C 46 60.280 60.280 59.768 0.512 25460 1989 1 5 . 1 1 46 46 THR CB C 46 72.160 72.160 71.350 0.811 25460 1990 1 5 . 1 1 46 46 THR H H 46 7.925 7.925 7.900 0.025 25460 1991 1 5 . 1 1 47 47 THR N N 47 109.430 109.430 112.872 -3.442 25460 1992 1 5 . 1 1 47 47 THR HA H 47 5.383 5.383 5.343 0.040 25460 1993 1 5 . 1 1 47 47 THR C C 47 174.560 174.560 173.982 0.578 25460 1994 1 5 . 1 1 47 47 THR CA C 47 59.240 59.240 60.108 -0.868 25460 1995 1 5 . 1 1 47 47 THR CB C 47 71.840 71.840 70.861 0.980 25460 1996 1 5 . 1 1 47 47 THR H H 47 7.784 7.784 8.302 -0.518 25460 1997 1 5 . 1 1 48 48 ALA N N 48 122.630 122.630 124.264 -1.634 25460 1998 1 5 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.581 0.077 25460 1999 1 5 . 1 1 48 48 ALA C C 48 175.620 175.620 175.130 0.490 25460 2000 1 5 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.714 -0.114 25460 2001 1 5 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.162 2.248 25460 2002 1 5 . 1 1 48 48 ALA H H 48 8.681 8.681 8.824 -0.143 25460 2003 1 5 . 1 1 49 49 THR N N 49 116.020 116.020 118.419 -2.399 25460 2004 1 5 . 1 1 49 49 THR HA H 49 4.914 4.914 4.588 0.326 25460 2005 1 5 . 1 1 49 49 THR C C 49 174.400 174.400 173.983 0.417 25460 2006 1 5 . 1 1 49 49 THR CA C 49 62.320 62.320 62.577 -0.257 25460 2007 1 5 . 1 1 49 49 THR CB C 49 69.260 69.260 68.714 0.546 25460 2008 1 5 . 1 1 49 49 THR H H 49 8.347 8.347 8.387 -0.040 25460 2009 1 5 . 1 1 50 50 ILE N N 50 126.050 126.050 129.072 -3.022 25460 2010 1 5 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.259 0.177 25460 2011 1 5 . 1 1 50 50 ILE C C 50 175.080 175.080 175.630 -0.550 25460 2012 1 5 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.818 0.692 25460 2013 1 5 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.972 1.698 25460 2014 1 5 . 1 1 50 50 ILE H H 50 9.199 9.199 9.066 0.133 25460 2015 1 5 . 1 1 51 51 THR N N 51 120.630 120.630 122.382 -1.752 25460 2016 1 5 . 1 1 51 51 THR HA H 51 5.312 5.312 5.368 -0.056 25460 2017 1 5 . 1 1 51 51 THR C C 51 174.250 174.250 173.289 0.961 25460 2018 1 5 . 1 1 51 51 THR CA C 51 61.030 61.030 61.204 -0.174 25460 2019 1 5 . 1 1 51 51 THR CB C 51 69.850 69.850 69.789 0.061 25460 2020 1 5 . 1 1 51 51 THR H H 51 8.500 8.500 8.592 -0.092 25460 2021 1 5 . 1 1 52 52 ALA N N 52 127.710 127.710 127.406 0.304 25460 2022 1 5 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.880 -0.169 25460 2023 1 5 . 1 1 52 52 ALA C C 52 176.530 176.530 176.788 -0.258 25460 2024 1 5 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.834 0.146 25460 2025 1 5 . 1 1 52 52 ALA CB C 52 22.720 22.720 22.052 0.667 25460 2026 1 5 . 1 1 52 52 ALA H H 52 9.202 9.202 9.337 -0.135 25460 2027 1 5 . 1 1 53 53 ARG N N 53 118.780 118.780 122.149 -3.369 25460 2028 1 5 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.931 -0.075 25460 2029 1 5 . 1 1 53 53 ARG C C 53 177.070 177.070 175.845 1.225 25460 2030 1 5 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.597 0.433 25460 2031 1 5 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.936 -0.896 25460 2032 1 5 . 1 1 53 53 ARG H H 53 9.303 9.303 9.187 0.116 25460 2033 1 5 . 1 1 54 54 GLY N N 54 104.070 104.070 103.322 0.748 25460 2034 1 5 . 1 1 54 54 GLY C C 54 174.110 174.110 173.503 0.607 25460 2035 1 5 . 1 1 54 54 GLY CA C 54 45.360 45.360 44.827 0.533 25460 2036 1 5 . 1 1 54 54 GLY H H 54 8.714 8.714 8.364 0.350 25460 2037 1 5 . 1 1 55 55 HIS N N 55 119.170 119.170 119.614 -0.444 25460 2038 1 5 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.638 0.138 25460 2039 1 5 . 1 1 55 55 HIS C C 55 172.310 172.310 173.290 -0.980 25460 2040 1 5 . 1 1 55 55 HIS CA C 55 54.030 54.030 54.958 -0.928 25460 2041 1 5 . 1 1 55 55 HIS CB C 55 32.100 32.100 32.118 -0.018 25460 2042 1 5 . 1 1 55 55 HIS H H 55 8.227 8.227 8.082 0.145 25460 2043 1 5 . 1 1 56 56 GLU N N 56 119.640 119.640 122.724 -3.084 25460 2044 1 5 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.019 0.068 25460 2045 1 5 . 1 1 56 56 GLU C C 56 176.150 176.150 175.579 0.571 25460 2046 1 5 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.470 -0.380 25460 2047 1 5 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.526 1.254 25460 2048 1 5 . 1 1 56 56 GLU H H 56 8.024 8.024 8.602 -0.578 25460 2049 1 5 . 1 1 57 57 PHE N N 57 121.660 121.660 124.340 -2.680 25460 2050 1 5 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.737 0.037 25460 2051 1 5 . 1 1 57 57 PHE C C 57 173.930 173.930 174.593 -0.663 25460 2052 1 5 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.649 -0.179 25460 2053 1 5 . 1 1 57 57 PHE CB C 57 41.450 41.450 42.064 -0.614 25460 2054 1 5 . 1 1 57 57 PHE H H 57 9.219 9.219 9.295 -0.076 25460 2055 1 5 . 1 1 58 58 GLU N N 58 125.630 125.630 126.927 -1.297 25460 2056 1 5 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.936 0.288 25460 2057 1 5 . 1 1 58 58 GLU C C 58 175.820 175.820 175.850 -0.030 25460 2058 1 5 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.329 0.131 25460 2059 1 5 . 1 1 58 58 GLU CB C 58 29.950 29.950 30.364 -0.414 25460 2060 1 5 . 1 1 58 58 GLU H H 58 8.597 8.597 8.923 -0.326 25460 2061 1 5 . 1 1 59 59 VAL N N 59 120.690 120.690 121.290 -0.600 25460 2062 1 5 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.565 0.850 25460 2063 1 5 . 1 1 59 59 VAL C C 59 174.790 174.790 173.949 0.841 25460 2064 1 5 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.996 -1.446 25460 2065 1 5 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.119 0.031 25460 2066 1 5 . 1 1 59 59 VAL H H 59 8.809 8.809 8.870 -0.061 25460 2067 1 5 . 1 1 60 60 GLU N N 60 118.570 118.570 125.278 -6.708 25460 2068 1 5 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.786 -0.169 25460 2069 1 5 . 1 1 60 60 GLU C C 60 176.050 176.050 175.495 0.555 25460 2070 1 5 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.292 -0.112 25460 2071 1 5 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.041 0.009 25460 2072 1 5 . 1 1 60 60 GLU H H 60 8.024 8.024 8.857 -0.833 25460 2073 1 5 . 1 1 61 61 ALA N N 61 132.630 132.630 131.415 1.215 25460 2074 1 5 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.602 0.097 25460 2075 1 5 . 1 1 61 61 ALA C C 61 176.260 176.260 176.683 -0.423 25460 2076 1 5 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.785 -1.265 25460 2077 1 5 . 1 1 61 61 ALA CB C 61 17.710 17.710 19.088 -1.378 25460 2078 1 5 . 1 1 61 61 ALA H H 61 8.230 8.230 8.688 -0.458 25460 2079 1 5 . 1 1 62 62 LYS N N 62 126.080 126.080 122.108 3.972 25460 2080 1 5 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.297 -0.299 25460 2081 1 5 . 1 1 62 62 LYS C C 62 177.030 177.030 176.331 0.699 25460 2082 1 5 . 1 1 62 62 LYS CA C 62 59.590 59.590 56.754 2.836 25460 2083 1 5 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.268 1.272 25460 2084 1 5 . 1 1 62 62 LYS H H 62 9.070 9.070 8.242 0.828 25460 2085 1 5 . 1 1 63 63 ASP N N 63 110.550 110.550 117.976 -7.426 25460 2086 1 5 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.711 -0.325 25460 2087 1 5 . 1 1 63 63 ASP C C 63 175.810 175.810 175.930 -0.120 25460 2088 1 5 . 1 1 63 63 ASP CA C 63 53.150 53.150 53.048 0.102 25460 2089 1 5 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.468 -2.218 25460 2090 1 5 . 1 1 63 63 ASP H H 63 7.507 7.507 7.716 -0.209 25460 2091 1 5 . 1 1 64 64 GLN N N 64 112.740 112.740 118.868 -6.128 25460 2092 1 5 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.202 -0.102 25460 2093 1 5 . 1 1 64 64 GLN C C 64 175.950 175.950 175.668 0.282 25460 2094 1 5 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.418 0.272 25460 2095 1 5 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.525 -0.685 25460 2096 1 5 . 1 1 64 64 GLN H H 64 8.410 8.410 8.624 -0.214 25460 2097 1 5 . 1 1 65 65 ASN N N 65 117.790 117.790 117.600 0.190 25460 2098 1 5 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.937 -0.358 25460 2099 1 5 . 1 1 65 65 ASN C C 65 177.250 177.250 174.442 2.808 25460 2100 1 5 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.772 1.348 25460 2101 1 5 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.881 -1.971 25460 2102 1 5 . 1 1 65 65 ASN H H 65 8.747 8.747 8.489 0.259 25460 2103 1 5 . 1 1 66 66 CYS N N 66 112.640 112.640 116.002 -3.362 25460 2104 1 5 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.217 0.208 25460 2105 1 5 . 1 1 66 66 CYS C C 66 174.970 174.970 174.412 0.558 25460 2106 1 5 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.686 -3.556 25460 2107 1 5 . 1 1 66 66 CYS CB C 66 36.160 36.160 25.053 11.107 25460 2108 1 5 . 1 1 66 66 CYS H H 66 8.527 8.527 7.685 0.842 25460 2109 1 5 . 1 1 67 67 LYS N N 67 116.240 116.240 120.969 -4.729 25460 2110 1 5 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.329 -0.152 25460 2111 1 5 . 1 1 67 67 LYS C C 67 178.480 178.480 176.033 2.447 25460 2112 1 5 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.528 2.332 25460 2113 1 5 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.439 0.681 25460 2114 1 5 . 1 1 67 67 LYS H H 67 8.014 8.014 8.206 -0.192 25460 2115 1 5 . 1 1 68 68 VAL N N 68 126.980 126.980 126.053 0.927 25460 2116 1 5 . 1 1 68 68 VAL HA H 68 3.675 3.675 3.987 -0.312 25460 2117 1 5 . 1 1 68 68 VAL C C 68 174.460 174.460 174.541 -0.081 25460 2118 1 5 . 1 1 68 68 VAL CA C 68 64.750 64.750 62.820 1.930 25460 2119 1 5 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.707 -1.548 25460 2120 1 5 . 1 1 68 68 VAL H H 68 8.967 8.967 7.826 1.141 25460 2121 1 5 . 1 1 69 69 ILE N N 69 132.540 132.540 128.355 4.185 25460 2122 1 5 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.533 -0.354 25460 2123 1 5 . 1 1 69 69 ILE C C 69 175.060 175.060 174.888 0.172 25460 2124 1 5 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.630 0.930 25460 2125 1 5 . 1 1 69 69 ILE CB C 69 41.490 41.490 41.275 0.215 25460 2126 1 5 . 1 1 69 69 ILE H H 69 8.689 8.689 7.755 0.934 25460 2127 1 5 . 1 1 70 70 LEU N N 70 125.290 125.290 126.578 -1.288 25460 2128 1 5 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.918 0.380 25460 2129 1 5 . 1 1 70 70 LEU C C 70 180.800 180.800 178.874 1.926 25460 2130 1 5 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.294 -1.104 25460 2131 1 5 . 1 1 70 70 LEU CB C 70 41.150 41.150 43.109 -1.959 25460 2132 1 5 . 1 1 70 70 LEU H H 70 8.829 8.829 9.318 -0.489 25460 2133 1 5 . 1 1 71 71 THR N N 71 115.510 115.510 114.052 1.458 25460 2134 1 5 . 1 1 71 71 THR HA H 71 4.094 4.094 4.127 -0.033 25460 2135 1 5 . 1 1 71 71 THR C C 71 176.240 176.240 175.669 0.571 25460 2136 1 5 . 1 1 71 71 THR CA C 71 63.950 63.950 64.838 -0.888 25460 2137 1 5 . 1 1 71 71 THR CB C 71 68.280 68.280 68.654 -0.374 25460 2138 1 5 . 1 1 71 71 THR H H 71 8.546 8.546 8.715 -0.169 25460 2139 1 5 . 1 1 72 72 ASN N N 72 117.010 117.010 118.632 -1.622 25460 2140 1 5 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.756 -0.192 25460 2141 1 5 . 1 1 72 72 ASN C C 72 177.340 177.340 175.763 1.577 25460 2142 1 5 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.539 -0.829 25460 2143 1 5 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.696 -1.476 25460 2144 1 5 . 1 1 72 72 ASN H H 72 8.162 8.162 8.158 0.004 25460 2145 1 5 . 1 1 73 73 GLY N N 73 106.660 106.660 108.431 -1.771 25460 2146 1 5 . 1 1 73 73 GLY C C 73 175.020 175.020 173.648 1.372 25460 2147 1 5 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.407 0.292 25460 2148 1 5 . 1 1 73 73 GLY H H 73 7.985 7.985 7.935 0.050 25460 2149 1 5 . 1 1 74 74 LYS N N 74 120.730 120.730 119.674 1.056 25460 2150 1 5 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.523 -0.225 25460 2151 1 5 . 1 1 74 74 LYS C C 74 175.720 175.720 175.587 0.133 25460 2152 1 5 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.281 1.449 25460 2153 1 5 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.809 -1.319 25460 2154 1 5 . 1 1 74 74 LYS H H 74 7.820 7.820 7.417 0.403 25460 2155 1 5 . 1 1 75 75 GLN N N 75 119.590 119.590 123.401 -3.811 25460 2156 1 5 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.339 -0.183 25460 2157 1 5 . 1 1 75 75 GLN C C 75 176.490 176.490 174.843 1.647 25460 2158 1 5 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.060 0.520 25460 2159 1 5 . 1 1 75 75 GLN CB C 75 29.020 29.020 28.855 0.165 25460 2160 1 5 . 1 1 75 75 GLN H H 75 8.273 8.273 8.846 -0.573 25460 2161 1 5 . 1 1 76 76 ALA N N 76 129.340 129.340 120.503 8.837 25460 2162 1 5 . 1 1 76 76 ALA HA H 76 4.166 4.166 3.939 0.227 25460 2163 1 5 . 1 1 76 76 ALA C C 76 174.920 174.920 174.651 0.269 25460 2164 1 5 . 1 1 76 76 ALA CA C 76 50.080 50.080 51.762 -1.682 25460 2165 1 5 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.485 0.395 25460 2166 1 5 . 1 1 76 76 ALA H H 76 8.698 8.698 7.574 1.124 25460 2167 1 5 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.371 -0.134 25460 2168 1 5 . 1 1 77 77 PRO C C 77 178.170 178.170 176.759 1.411 25460 2169 1 5 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.719 0.451 25460 2170 1 5 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.610 -0.140 25460 2171 1 5 . 1 1 78 78 ASP N N 78 121.040 121.040 120.281 0.759 25460 2172 1 5 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.278 -0.061 25460 2173 1 5 . 1 1 78 78 ASP C C 78 176.610 176.610 177.065 -0.455 25460 2174 1 5 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.531 -0.031 25460 2175 1 5 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.830 -0.300 25460 2176 1 5 . 1 1 78 78 ASP H H 78 8.607 8.607 8.539 0.068 25460 2177 1 5 . 1 1 79 79 TRP N N 79 114.440 114.440 114.412 0.028 25460 2178 1 5 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.717 -0.225 25460 2179 1 5 . 1 1 79 79 TRP C C 79 175.280 175.280 175.473 -0.193 25460 2180 1 5 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.703 -1.073 25460 2181 1 5 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.020 0.119 25460 2182 1 5 . 1 1 79 79 TRP H H 79 6.768 6.768 7.704 -0.936 25460 2183 1 5 . 1 1 80 80 LEU N N 80 123.450 123.450 123.920 -0.470 25460 2184 1 5 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.873 -0.112 25460 2185 1 5 . 1 1 80 80 LEU C C 80 174.270 174.270 175.528 -1.258 25460 2186 1 5 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.757 1.093 25460 2187 1 5 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.377 0.513 25460 2188 1 5 . 1 1 80 80 LEU H H 80 6.577 6.577 6.953 -0.376 25460 2189 1 5 . 1 1 81 81 ALA N N 81 130.910 130.910 130.199 0.711 25460 2190 1 5 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.712 -0.045 25460 2191 1 5 . 1 1 81 81 ALA C C 81 175.210 175.210 175.347 -0.137 25460 2192 1 5 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.642 -0.332 25460 2193 1 5 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.535 0.735 25460 2194 1 5 . 1 1 81 81 ALA H H 81 9.037 9.037 8.837 0.200 25460 2195 1 5 . 1 1 82 82 ALA N N 82 119.120 119.120 124.585 -5.465 25460 2196 1 5 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.344 0.333 25460 2197 1 5 . 1 1 82 82 ALA C C 82 177.280 177.280 175.897 1.383 25460 2198 1 5 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.903 0.107 25460 2199 1 5 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.386 0.854 25460 2200 1 5 . 1 1 82 82 ALA H H 82 8.159 8.159 8.326 -0.167 25460 2201 1 5 . 1 1 83 83 GLU N N 83 116.910 116.910 122.243 -5.333 25460 2202 1 5 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.931 0.007 25460 2203 1 5 . 1 1 83 83 GLU C C 83 172.560 172.560 174.315 -1.755 25460 2204 1 5 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.437 0.573 25460 2205 1 5 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.182 1.288 25460 2206 1 5 . 1 1 83 83 GLU H H 83 8.614 8.614 8.528 0.086 25460 2207 1 5 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.690 0.823 25460 2208 1 5 . 1 1 84 84 PRO C C 84 177.340 177.340 175.749 1.591 25460 2209 1 5 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.504 -0.574 25460 2210 1 5 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.253 0.167 25460 2211 1 6 . 1 1 8 8 GLY N N 8 110.720 110.720 109.973 0.747 25460 2212 1 6 . 1 1 8 8 GLY C C 8 174.650 174.650 174.104 0.546 25460 2213 1 6 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.743 0.727 25460 2214 1 6 . 1 1 8 8 GLY H H 8 8.462 8.462 8.341 0.121 25460 2215 1 6 . 1 1 9 9 ARG N N 9 120.430 120.430 122.282 -1.852 25460 2216 1 6 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.350 -0.032 25460 2217 1 6 . 1 1 9 9 ARG C C 9 176.790 176.790 175.515 1.275 25460 2218 1 6 . 1 1 9 9 ARG CA C 9 56.340 56.340 56.126 0.214 25460 2219 1 6 . 1 1 9 9 ARG CB C 9 30.530 30.530 29.474 1.056 25460 2220 1 6 . 1 1 9 9 ARG H H 9 8.206 8.206 8.405 -0.199 25460 2221 1 6 . 1 1 10 10 GLU N N 10 121.220 121.220 119.589 1.631 25460 2222 1 6 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.520 -0.310 25460 2223 1 6 . 1 1 10 10 GLU C C 10 176.600 176.600 176.316 0.284 25460 2224 1 6 . 1 1 10 10 GLU CA C 10 57.270 57.270 55.461 1.810 25460 2225 1 6 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.163 -0.383 25460 2226 1 6 . 1 1 10 10 GLU H H 10 8.562 8.562 8.131 0.431 25460 2227 1 6 . 1 1 11 11 ASN N N 11 118.900 118.900 119.501 -0.601 25460 2228 1 6 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.527 0.143 25460 2229 1 6 . 1 1 11 11 ASN C C 11 175.420 175.420 174.973 0.447 25460 2230 1 6 . 1 1 11 11 ASN CA C 11 53.450 53.450 55.060 -1.610 25460 2231 1 6 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.905 -0.195 25460 2232 1 6 . 1 1 11 11 ASN H H 11 8.337 8.337 8.204 0.133 25460 2233 1 6 . 1 1 12 12 LEU N N 12 121.830 121.830 118.717 3.113 25460 2234 1 6 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.503 -0.311 25460 2235 1 6 . 1 1 12 12 LEU C C 12 177.290 177.290 175.033 2.257 25460 2236 1 6 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.482 1.148 25460 2237 1 6 . 1 1 12 12 LEU CB C 12 42.260 42.260 42.124 0.136 25460 2238 1 6 . 1 1 12 12 LEU H H 12 7.988 7.988 7.525 0.463 25460 2239 1 6 . 1 1 13 13 TYR N N 13 119.550 119.550 125.371 -5.821 25460 2240 1 6 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.763 -0.265 25460 2241 1 6 . 1 1 13 13 TYR C C 13 175.950 175.950 174.150 1.800 25460 2242 1 6 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.597 0.333 25460 2243 1 6 . 1 1 13 13 TYR CB C 13 38.590 38.590 40.488 -1.898 25460 2244 1 6 . 1 1 13 13 TYR H H 13 7.966 7.966 8.344 -0.378 25460 2245 1 6 . 1 1 14 14 PHE N N 14 121.130 121.130 129.203 -8.073 25460 2246 1 6 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.587 -0.063 25460 2247 1 6 . 1 1 14 14 PHE C C 14 175.820 175.820 174.154 1.666 25460 2248 1 6 . 1 1 14 14 PHE CA C 14 57.950 57.950 57.590 0.360 25460 2249 1 6 . 1 1 14 14 PHE CB C 14 39.510 39.510 39.666 -0.157 25460 2250 1 6 . 1 1 14 14 PHE H H 14 8.006 8.006 8.459 -0.453 25460 2251 1 6 . 1 1 15 15 GLN N N 15 121.840 121.840 128.216 -6.376 25460 2252 1 6 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.426 -0.241 25460 2253 1 6 . 1 1 15 15 GLN C C 15 176.420 176.420 174.112 2.308 25460 2254 1 6 . 1 1 15 15 GLN CA C 15 56.180 56.180 54.961 1.219 25460 2255 1 6 . 1 1 15 15 GLN CB C 15 29.110 29.110 30.307 -1.197 25460 2256 1 6 . 1 1 15 15 GLN H H 15 8.217 8.217 8.377 -0.160 25460 2257 1 6 . 1 1 16 16 GLY N N 16 108.430 108.430 110.626 -2.196 25460 2258 1 6 . 1 1 16 16 GLY C C 16 174.140 174.140 173.458 0.682 25460 2259 1 6 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.252 0.058 25460 2260 1 6 . 1 1 16 16 GLY H H 16 7.907 7.907 7.852 0.055 25460 2261 1 6 . 1 1 17 17 HIS N N 17 117.990 117.990 118.377 -0.387 25460 2262 1 6 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.803 -0.926 25460 2263 1 6 . 1 1 17 17 HIS C C 17 174.610 174.610 175.034 -0.424 25460 2264 1 6 . 1 1 17 17 HIS CA C 17 55.430 55.430 56.325 -0.895 25460 2265 1 6 . 1 1 17 17 HIS CB C 17 29.280 29.280 30.278 -0.998 25460 2266 1 6 . 1 1 17 17 HIS H H 17 8.250 8.250 8.570 -0.320 25460 2267 1 6 . 1 1 18 18 MET N N 18 121.430 121.430 117.887 3.543 25460 2268 1 6 . 1 1 18 18 MET HA H 18 4.395 4.395 4.785 -0.390 25460 2269 1 6 . 1 1 18 18 MET C C 18 175.750 175.750 175.400 0.350 25460 2270 1 6 . 1 1 18 18 MET CA C 18 55.660 55.660 53.890 1.770 25460 2271 1 6 . 1 1 18 18 MET CB C 18 32.740 32.740 34.715 -1.975 25460 2272 1 6 . 1 1 18 18 MET H H 18 8.320 8.320 7.669 0.651 25460 2273 1 6 . 1 1 19 19 ALA N N 19 125.550 125.550 123.625 1.925 25460 2274 1 6 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.521 -0.249 25460 2275 1 6 . 1 1 19 19 ALA C C 19 176.950 176.950 176.640 0.310 25460 2276 1 6 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.583 0.677 25460 2277 1 6 . 1 1 19 19 ALA CB C 19 19.130 19.130 17.415 1.716 25460 2278 1 6 . 1 1 19 19 ALA H H 19 8.262 8.262 8.429 -0.167 25460 2279 1 6 . 1 1 20 20 ALA N N 20 124.430 124.430 126.796 -2.366 25460 2280 1 6 . 1 1 20 20 ALA HA H 20 4.536 4.536 3.994 0.542 25460 2281 1 6 . 1 1 20 20 ALA C C 20 175.390 175.390 175.694 -0.304 25460 2282 1 6 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.225 -1.125 25460 2283 1 6 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.973 0.447 25460 2284 1 6 . 1 1 20 20 ALA H H 20 8.083 8.083 7.666 0.417 25460 2285 1 6 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.373 0.077 25460 2286 1 6 . 1 1 21 21 PRO C C 21 175.770 175.770 175.814 -0.044 25460 2287 1 6 . 1 1 21 21 PRO CA C 21 55.520 55.520 62.541 -7.021 25460 2288 1 6 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.779 0.180 25460 2289 1 6 . 1 1 22 22 ALA N N 22 124.420 124.420 123.739 0.681 25460 2290 1 6 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.275 0.058 25460 2291 1 6 . 1 1 22 22 ALA C C 22 176.920 176.920 177.600 -0.680 25460 2292 1 6 . 1 1 22 22 ALA CA C 22 52.350 52.350 52.532 -0.183 25460 2293 1 6 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.535 -0.345 25460 2294 1 6 . 1 1 22 22 ALA H H 22 8.235 8.235 8.198 0.037 25460 2295 1 6 . 1 1 23 23 ARG N N 23 120.140 120.140 122.418 -2.278 25460 2296 1 6 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.170 0.173 25460 2297 1 6 . 1 1 23 23 ARG C C 23 176.220 176.220 175.310 0.910 25460 2298 1 6 . 1 1 23 23 ARG CA C 23 57.000 57.000 57.874 -0.874 25460 2299 1 6 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.265 2.225 25460 2300 1 6 . 1 1 23 23 ARG H H 23 9.271 9.271 8.653 0.618 25460 2301 1 6 . 1 1 24 24 PHE N N 24 119.130 119.130 114.839 4.291 25460 2302 1 6 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.530 -0.148 25460 2303 1 6 . 1 1 24 24 PHE C C 24 175.910 175.910 174.626 1.284 25460 2304 1 6 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.444 0.406 25460 2305 1 6 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.440 0.120 25460 2306 1 6 . 1 1 24 24 PHE H H 24 9.270 9.270 7.599 1.671 25460 2307 1 6 . 1 1 25 25 CYS N N 25 116.300 116.300 119.109 -2.809 25460 2308 1 6 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.390 -0.071 25460 2309 1 6 . 1 1 25 25 CYS C C 25 172.990 172.990 173.143 -0.153 25460 2310 1 6 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.009 -2.809 25460 2311 1 6 . 1 1 25 25 CYS CB C 25 39.740 39.740 29.738 10.002 25460 2312 1 6 . 1 1 25 25 CYS H H 25 9.254 9.254 9.199 0.055 25460 2313 1 6 . 1 1 26 26 VAL N N 26 126.290 126.290 126.998 -0.708 25460 2314 1 6 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.620 -0.238 25460 2315 1 6 . 1 1 26 26 VAL C C 26 174.520 174.520 174.606 -0.086 25460 2316 1 6 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.404 0.336 25460 2317 1 6 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.865 -0.485 25460 2318 1 6 . 1 1 26 26 VAL H H 26 9.512 9.512 8.982 0.530 25460 2319 1 6 . 1 1 27 27 TYR N N 27 123.620 123.620 126.048 -2.428 25460 2320 1 6 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.623 -0.479 25460 2321 1 6 . 1 1 27 27 TYR C C 27 175.400 175.400 175.297 0.103 25460 2322 1 6 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.733 1.367 25460 2323 1 6 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.692 0.168 25460 2324 1 6 . 1 1 27 27 TYR H H 27 8.240 8.240 8.999 -0.759 25460 2325 1 6 . 1 1 28 28 TYR N N 28 119.740 119.740 119.918 -0.178 25460 2326 1 6 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.242 0.031 25460 2327 1 6 . 1 1 28 28 TYR C C 28 174.590 174.590 174.813 -0.223 25460 2328 1 6 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.336 0.564 25460 2329 1 6 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.823 1.267 25460 2330 1 6 . 1 1 28 28 TYR H H 28 9.448 9.448 9.325 0.123 25460 2331 1 6 . 1 1 29 29 ASP N N 29 118.650 118.650 122.771 -4.121 25460 2332 1 6 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.009 0.246 25460 2333 1 6 . 1 1 29 29 ASP C C 29 177.670 177.670 176.151 1.519 25460 2334 1 6 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.463 -1.663 25460 2335 1 6 . 1 1 29 29 ASP CB C 29 41.350 41.350 42.125 -0.775 25460 2336 1 6 . 1 1 29 29 ASP H H 29 8.995 8.995 9.133 -0.138 25460 2337 1 6 . 1 1 30 30 GLY N N 30 114.740 114.740 114.697 0.043 25460 2338 1 6 . 1 1 30 30 GLY C C 30 173.320 173.320 172.622 0.698 25460 2339 1 6 . 1 1 30 30 GLY CA C 30 44.110 44.110 44.991 -0.881 25460 2340 1 6 . 1 1 30 30 GLY H H 30 9.046 9.046 9.035 0.011 25460 2341 1 6 . 1 1 31 31 HIS N N 31 113.880 113.880 117.070 -3.190 25460 2342 1 6 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.595 -0.102 25460 2343 1 6 . 1 1 31 31 HIS C C 31 175.230 175.230 174.809 0.421 25460 2344 1 6 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.802 0.178 25460 2345 1 6 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.228 0.402 25460 2346 1 6 . 1 1 31 31 HIS H H 31 8.306 8.306 8.574 -0.268 25460 2347 1 6 . 1 1 32 32 LEU N N 32 124.060 124.060 123.419 0.641 25460 2348 1 6 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.559 0.265 25460 2349 1 6 . 1 1 32 32 LEU C C 32 176.030 176.030 175.350 0.680 25460 2350 1 6 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.552 1.528 25460 2351 1 6 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.655 -2.115 25460 2352 1 6 . 1 1 32 32 LEU H H 32 8.477 8.477 7.490 0.987 25460 2353 1 6 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.247 -0.494 25460 2354 1 6 . 1 1 33 33 PRO C C 33 177.880 177.880 176.515 1.365 25460 2355 1 6 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.121 1.379 25460 2356 1 6 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.868 -0.098 25460 2357 1 6 . 1 1 34 34 ALA N N 34 115.220 115.220 121.973 -6.753 25460 2358 1 6 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.230 -0.037 25460 2359 1 6 . 1 1 34 34 ALA C C 34 179.120 179.120 178.317 0.803 25460 2360 1 6 . 1 1 34 34 ALA CA C 34 54.610 54.610 54.423 0.187 25460 2361 1 6 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.228 0.202 25460 2362 1 6 . 1 1 34 34 ALA H H 34 8.193 8.193 7.825 0.368 25460 2363 1 6 . 1 1 35 35 THR N N 35 102.120 102.120 109.518 -7.398 25460 2364 1 6 . 1 1 35 35 THR HA H 35 4.597 4.597 4.425 0.172 25460 2365 1 6 . 1 1 35 35 THR C C 35 175.610 175.610 174.886 0.724 25460 2366 1 6 . 1 1 35 35 THR CA C 35 60.400 60.400 60.869 -0.469 25460 2367 1 6 . 1 1 35 35 THR CB C 35 70.550 70.550 69.118 1.431 25460 2368 1 6 . 1 1 35 35 THR H H 35 7.187 7.187 7.711 -0.524 25460 2369 1 6 . 1 1 36 36 ARG N N 36 122.520 122.520 122.856 -0.336 25460 2370 1 6 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.541 0.222 25460 2371 1 6 . 1 1 36 36 ARG C C 36 175.220 175.220 175.437 -0.217 25460 2372 1 6 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.186 0.904 25460 2373 1 6 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.502 -0.622 25460 2374 1 6 . 1 1 36 36 ARG H H 36 7.918 7.918 7.454 0.464 25460 2375 1 6 . 1 1 37 37 VAL N N 37 122.110 122.110 122.564 -0.454 25460 2376 1 6 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.324 0.017 25460 2377 1 6 . 1 1 37 37 VAL C C 37 175.690 175.690 175.314 0.376 25460 2378 1 6 . 1 1 37 37 VAL CA C 37 61.330 61.330 61.075 0.255 25460 2379 1 6 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.625 1.425 25460 2380 1 6 . 1 1 37 37 VAL H H 37 8.603 8.603 8.667 -0.064 25460 2381 1 6 . 1 1 38 38 LEU N N 38 130.470 130.470 129.598 0.872 25460 2382 1 6 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.120 -0.351 25460 2383 1 6 . 1 1 38 38 LEU C C 38 176.510 176.510 175.956 0.554 25460 2384 1 6 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.546 0.824 25460 2385 1 6 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.698 0.122 25460 2386 1 6 . 1 1 38 38 LEU H H 38 8.708 8.708 8.874 -0.166 25460 2387 1 6 . 1 1 39 39 LEU N N 39 126.440 126.440 128.342 -1.902 25460 2388 1 6 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.445 0.182 25460 2389 1 6 . 1 1 39 39 LEU C C 39 176.800 176.800 177.046 -0.246 25460 2390 1 6 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.824 -0.094 25460 2391 1 6 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.213 -0.883 25460 2392 1 6 . 1 1 39 39 LEU H H 39 9.254 9.254 9.011 0.243 25460 2393 1 6 . 1 1 40 40 MET N N 40 114.550 114.550 113.631 0.919 25460 2394 1 6 . 1 1 40 40 MET HA H 40 4.471 4.471 4.677 -0.206 25460 2395 1 6 . 1 1 40 40 MET C C 40 173.750 173.750 173.690 0.060 25460 2396 1 6 . 1 1 40 40 MET CA C 40 56.040 56.040 54.820 1.220 25460 2397 1 6 . 1 1 40 40 MET CB C 40 36.880 36.880 37.690 -0.810 25460 2398 1 6 . 1 1 40 40 MET H H 40 7.054 7.054 7.509 -0.455 25460 2399 1 6 . 1 1 41 41 TYR N N 41 123.270 123.270 119.354 3.916 25460 2400 1 6 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.576 -0.763 25460 2401 1 6 . 1 1 41 41 TYR C C 41 175.680 175.680 175.856 -0.176 25460 2402 1 6 . 1 1 41 41 TYR CA C 41 57.940 57.940 56.792 1.148 25460 2403 1 6 . 1 1 41 41 TYR CB C 41 39.460 39.460 40.069 -0.609 25460 2404 1 6 . 1 1 41 41 TYR H H 41 8.563 8.563 8.518 0.045 25460 2405 1 6 . 1 1 42 42 VAL N N 42 123.930 123.930 122.904 1.026 25460 2406 1 6 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.490 -0.081 25460 2407 1 6 . 1 1 42 42 VAL C C 42 175.600 175.600 174.754 0.846 25460 2408 1 6 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.969 0.511 25460 2409 1 6 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.380 -0.070 25460 2410 1 6 . 1 1 42 42 VAL H H 42 9.442 9.442 9.329 0.113 25460 2411 1 6 . 1 1 43 43 ARG N N 43 129.290 129.290 126.845 2.445 25460 2412 1 6 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.389 -0.465 25460 2413 1 6 . 1 1 43 43 ARG C C 43 177.010 177.010 176.492 0.518 25460 2414 1 6 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.289 1.471 25460 2415 1 6 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.504 -0.524 25460 2416 1 6 . 1 1 43 43 ARG H H 43 8.940 8.940 8.799 0.141 25460 2417 1 6 . 1 1 44 44 ILE N N 44 128.260 128.260 126.766 1.494 25460 2418 1 6 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.910 -0.224 25460 2419 1 6 . 1 1 44 44 ILE C C 44 177.020 177.020 176.833 0.187 25460 2420 1 6 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.219 2.711 25460 2421 1 6 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.339 1.901 25460 2422 1 6 . 1 1 44 44 ILE H H 44 8.345 8.345 8.374 -0.029 25460 2423 1 6 . 1 1 45 45 GLY N N 45 115.530 115.530 116.642 -1.112 25460 2424 1 6 . 1 1 45 45 GLY C C 45 174.860 174.860 173.994 0.866 25460 2425 1 6 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.867 -0.627 25460 2426 1 6 . 1 1 45 45 GLY H H 45 9.423 9.423 9.219 0.204 25460 2427 1 6 . 1 1 46 46 THR N N 46 111.410 111.410 114.234 -2.824 25460 2428 1 6 . 1 1 46 46 THR HA H 46 4.974 4.974 4.722 0.252 25460 2429 1 6 . 1 1 46 46 THR C C 46 172.310 172.310 173.878 -1.568 25460 2430 1 6 . 1 1 46 46 THR CA C 46 60.280 60.280 60.191 0.089 25460 2431 1 6 . 1 1 46 46 THR CB C 46 72.160 72.160 71.251 0.909 25460 2432 1 6 . 1 1 46 46 THR H H 46 7.925 7.925 8.039 -0.114 25460 2433 1 6 . 1 1 47 47 THR N N 47 109.430 109.430 112.130 -2.700 25460 2434 1 6 . 1 1 47 47 THR HA H 47 5.383 5.383 5.210 0.173 25460 2435 1 6 . 1 1 47 47 THR C C 47 174.560 174.560 173.838 0.722 25460 2436 1 6 . 1 1 47 47 THR CA C 47 59.240 59.240 60.307 -1.067 25460 2437 1 6 . 1 1 47 47 THR CB C 47 71.840 71.840 70.693 1.147 25460 2438 1 6 . 1 1 47 47 THR H H 47 7.784 7.784 8.321 -0.537 25460 2439 1 6 . 1 1 48 48 ALA N N 48 122.630 122.630 124.912 -2.282 25460 2440 1 6 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.673 -0.015 25460 2441 1 6 . 1 1 48 48 ALA C C 48 175.620 175.620 175.188 0.432 25460 2442 1 6 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.756 -0.156 25460 2443 1 6 . 1 1 48 48 ALA CB C 48 24.410 24.410 21.522 2.888 25460 2444 1 6 . 1 1 48 48 ALA H H 48 8.681 8.681 8.860 -0.179 25460 2445 1 6 . 1 1 49 49 THR N N 49 116.020 116.020 117.607 -1.587 25460 2446 1 6 . 1 1 49 49 THR HA H 49 4.914 4.914 4.892 0.022 25460 2447 1 6 . 1 1 49 49 THR C C 49 174.400 174.400 173.742 0.658 25460 2448 1 6 . 1 1 49 49 THR CA C 49 62.320 62.320 61.607 0.713 25460 2449 1 6 . 1 1 49 49 THR CB C 49 69.260 69.260 68.739 0.521 25460 2450 1 6 . 1 1 49 49 THR H H 49 8.347 8.347 8.459 -0.112 25460 2451 1 6 . 1 1 50 50 ILE N N 50 126.050 126.050 128.340 -2.290 25460 2452 1 6 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.333 0.103 25460 2453 1 6 . 1 1 50 50 ILE C C 50 175.080 175.080 175.435 -0.355 25460 2454 1 6 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.608 0.902 25460 2455 1 6 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.135 1.536 25460 2456 1 6 . 1 1 50 50 ILE H H 50 9.199 9.199 8.970 0.229 25460 2457 1 6 . 1 1 51 51 THR N N 51 120.630 120.630 122.557 -1.927 25460 2458 1 6 . 1 1 51 51 THR HA H 51 5.312 5.312 5.323 -0.011 25460 2459 1 6 . 1 1 51 51 THR C C 51 174.250 174.250 173.287 0.963 25460 2460 1 6 . 1 1 51 51 THR CA C 51 61.030 61.030 61.157 -0.127 25460 2461 1 6 . 1 1 51 51 THR CB C 51 69.850 69.850 70.030 -0.180 25460 2462 1 6 . 1 1 51 51 THR H H 51 8.500 8.500 8.611 -0.111 25460 2463 1 6 . 1 1 52 52 ALA N N 52 127.710 127.710 128.009 -0.299 25460 2464 1 6 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.873 -0.162 25460 2465 1 6 . 1 1 52 52 ALA C C 52 176.530 176.530 176.723 -0.193 25460 2466 1 6 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.938 0.042 25460 2467 1 6 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.913 0.807 25460 2468 1 6 . 1 1 52 52 ALA H H 52 9.202 9.202 9.344 -0.142 25460 2469 1 6 . 1 1 53 53 ARG N N 53 118.780 118.780 122.186 -3.406 25460 2470 1 6 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.937 -0.081 25460 2471 1 6 . 1 1 53 53 ARG C C 53 177.070 177.070 175.909 1.161 25460 2472 1 6 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.630 0.400 25460 2473 1 6 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.874 -0.834 25460 2474 1 6 . 1 1 53 53 ARG H H 53 9.303 9.303 9.199 0.104 25460 2475 1 6 . 1 1 54 54 GLY N N 54 104.070 104.070 103.317 0.753 25460 2476 1 6 . 1 1 54 54 GLY C C 54 174.110 174.110 173.632 0.478 25460 2477 1 6 . 1 1 54 54 GLY CA C 54 45.360 45.360 44.862 0.498 25460 2478 1 6 . 1 1 54 54 GLY H H 54 8.714 8.714 8.380 0.334 25460 2479 1 6 . 1 1 55 55 HIS N N 55 119.170 119.170 119.745 -0.575 25460 2480 1 6 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.588 0.188 25460 2481 1 6 . 1 1 55 55 HIS C C 55 172.310 172.310 173.243 -0.933 25460 2482 1 6 . 1 1 55 55 HIS CA C 55 54.030 54.030 54.918 -0.888 25460 2483 1 6 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.882 0.218 25460 2484 1 6 . 1 1 55 55 HIS H H 55 8.227 8.227 8.221 0.006 25460 2485 1 6 . 1 1 56 56 GLU N N 56 119.640 119.640 123.333 -3.693 25460 2486 1 6 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.091 -0.004 25460 2487 1 6 . 1 1 56 56 GLU C C 56 176.150 176.150 175.476 0.674 25460 2488 1 6 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.139 -0.049 25460 2489 1 6 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.503 1.277 25460 2490 1 6 . 1 1 56 56 GLU H H 56 8.024 8.024 8.641 -0.617 25460 2491 1 6 . 1 1 57 57 PHE N N 57 121.660 121.660 125.152 -3.492 25460 2492 1 6 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.678 0.096 25460 2493 1 6 . 1 1 57 57 PHE C C 57 173.930 173.930 174.862 -0.932 25460 2494 1 6 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.822 -0.352 25460 2495 1 6 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.108 1.342 25460 2496 1 6 . 1 1 57 57 PHE H H 57 9.219 9.219 9.178 0.041 25460 2497 1 6 . 1 1 58 58 GLU N N 58 125.630 125.630 126.391 -0.761 25460 2498 1 6 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.842 0.382 25460 2499 1 6 . 1 1 58 58 GLU C C 58 175.820 175.820 175.952 -0.132 25460 2500 1 6 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.195 0.265 25460 2501 1 6 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.800 0.150 25460 2502 1 6 . 1 1 58 58 GLU H H 58 8.597 8.597 8.962 -0.365 25460 2503 1 6 . 1 1 59 59 VAL N N 59 120.690 120.690 120.750 -0.060 25460 2504 1 6 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.493 0.922 25460 2505 1 6 . 1 1 59 59 VAL C C 59 174.790 174.790 174.198 0.592 25460 2506 1 6 . 1 1 59 59 VAL CA C 59 58.550 58.550 60.027 -1.477 25460 2507 1 6 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.349 -0.199 25460 2508 1 6 . 1 1 59 59 VAL H H 59 8.809 8.809 8.963 -0.154 25460 2509 1 6 . 1 1 60 60 GLU N N 60 118.570 118.570 123.889 -5.319 25460 2510 1 6 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.646 -0.029 25460 2511 1 6 . 1 1 60 60 GLU C C 60 176.050 176.050 175.306 0.744 25460 2512 1 6 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.544 -0.363 25460 2513 1 6 . 1 1 60 60 GLU CB C 60 32.050 32.050 31.969 0.081 25460 2514 1 6 . 1 1 60 60 GLU H H 60 8.024 8.024 8.598 -0.574 25460 2515 1 6 . 1 1 61 61 ALA N N 61 132.630 132.630 131.644 0.986 25460 2516 1 6 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.745 -0.046 25460 2517 1 6 . 1 1 61 61 ALA C C 61 176.260 176.260 176.829 -0.569 25460 2518 1 6 . 1 1 61 61 ALA CA C 61 50.520 50.520 50.720 -0.200 25460 2519 1 6 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.447 -0.737 25460 2520 1 6 . 1 1 61 61 ALA H H 61 8.230 8.230 8.848 -0.618 25460 2521 1 6 . 1 1 62 62 LYS N N 62 126.080 126.080 120.794 5.286 25460 2522 1 6 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.241 -0.243 25460 2523 1 6 . 1 1 62 62 LYS C C 62 177.030 177.030 176.125 0.905 25460 2524 1 6 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.197 2.393 25460 2525 1 6 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.835 1.705 25460 2526 1 6 . 1 1 62 62 LYS H H 62 9.070 9.070 7.866 1.204 25460 2527 1 6 . 1 1 63 63 ASP N N 63 110.550 110.550 119.110 -8.560 25460 2528 1 6 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.802 -0.416 25460 2529 1 6 . 1 1 63 63 ASP C C 63 175.810 175.810 176.568 -0.758 25460 2530 1 6 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.688 0.462 25460 2531 1 6 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.861 -2.611 25460 2532 1 6 . 1 1 63 63 ASP H H 63 7.507 7.507 7.704 -0.197 25460 2533 1 6 . 1 1 64 64 GLN N N 64 112.740 112.740 122.371 -9.631 25460 2534 1 6 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.072 0.028 25460 2535 1 6 . 1 1 64 64 GLN C C 64 175.950 175.950 175.955 -0.005 25460 2536 1 6 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.954 -0.264 25460 2537 1 6 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.155 -0.315 25460 2538 1 6 . 1 1 64 64 GLN H H 64 8.410 8.410 8.776 -0.366 25460 2539 1 6 . 1 1 65 65 ASN N N 65 117.790 117.790 117.638 0.152 25460 2540 1 6 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.646 -0.067 25460 2541 1 6 . 1 1 65 65 ASN C C 65 177.250 177.250 175.683 1.567 25460 2542 1 6 . 1 1 65 65 ASN CA C 65 55.120 55.120 54.169 0.951 25460 2543 1 6 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.535 -1.625 25460 2544 1 6 . 1 1 65 65 ASN H H 65 8.747 8.747 8.270 0.477 25460 2545 1 6 . 1 1 66 66 CYS N N 66 112.640 112.640 116.192 -3.552 25460 2546 1 6 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.216 0.209 25460 2547 1 6 . 1 1 66 66 CYS C C 66 174.970 174.970 174.217 0.753 25460 2548 1 6 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.958 -3.828 25460 2549 1 6 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.714 11.446 25460 2550 1 6 . 1 1 66 66 CYS H H 66 8.527 8.527 7.773 0.754 25460 2551 1 6 . 1 1 67 67 LYS N N 67 116.240 116.240 121.196 -4.956 25460 2552 1 6 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.143 0.034 25460 2553 1 6 . 1 1 67 67 LYS C C 67 178.480 178.480 176.138 2.342 25460 2554 1 6 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.677 1.183 25460 2555 1 6 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.496 0.624 25460 2556 1 6 . 1 1 67 67 LYS H H 67 8.014 8.014 7.975 0.039 25460 2557 1 6 . 1 1 68 68 VAL N N 68 126.980 126.980 127.451 -0.471 25460 2558 1 6 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.417 -0.742 25460 2559 1 6 . 1 1 68 68 VAL C C 68 174.460 174.460 174.211 0.249 25460 2560 1 6 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.198 3.552 25460 2561 1 6 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.358 -2.199 25460 2562 1 6 . 1 1 68 68 VAL H H 68 8.967 8.967 7.911 1.056 25460 2563 1 6 . 1 1 69 69 ILE N N 69 132.540 132.540 128.859 3.681 25460 2564 1 6 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.566 -0.387 25460 2565 1 6 . 1 1 69 69 ILE C C 69 175.060 175.060 175.315 -0.255 25460 2566 1 6 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.548 1.012 25460 2567 1 6 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.930 0.560 25460 2568 1 6 . 1 1 69 69 ILE H H 69 8.689 8.689 7.652 1.037 25460 2569 1 6 . 1 1 70 70 LEU N N 70 125.290 125.290 124.476 0.814 25460 2570 1 6 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.683 0.615 25460 2571 1 6 . 1 1 70 70 LEU C C 70 180.800 180.800 179.144 1.656 25460 2572 1 6 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.983 -1.793 25460 2573 1 6 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.461 -1.311 25460 2574 1 6 . 1 1 70 70 LEU H H 70 8.829 8.829 9.063 -0.234 25460 2575 1 6 . 1 1 71 71 THR N N 71 115.510 115.510 114.131 1.379 25460 2576 1 6 . 1 1 71 71 THR HA H 71 4.094 4.094 4.156 -0.062 25460 2577 1 6 . 1 1 71 71 THR C C 71 176.240 176.240 175.862 0.378 25460 2578 1 6 . 1 1 71 71 THR CA C 71 63.950 63.950 65.299 -1.349 25460 2579 1 6 . 1 1 71 71 THR CB C 71 68.280 68.280 68.737 -0.457 25460 2580 1 6 . 1 1 71 71 THR H H 71 8.546 8.546 8.911 -0.365 25460 2581 1 6 . 1 1 72 72 ASN N N 72 117.010 117.010 118.495 -1.485 25460 2582 1 6 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.740 -0.176 25460 2583 1 6 . 1 1 72 72 ASN C C 72 177.340 177.340 175.919 1.421 25460 2584 1 6 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.352 -0.642 25460 2585 1 6 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.641 -1.421 25460 2586 1 6 . 1 1 72 72 ASN H H 72 8.162 8.162 8.203 -0.041 25460 2587 1 6 . 1 1 73 73 GLY N N 73 106.660 106.660 107.998 -1.338 25460 2588 1 6 . 1 1 73 73 GLY C C 73 175.020 175.020 173.695 1.325 25460 2589 1 6 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.464 0.236 25460 2590 1 6 . 1 1 73 73 GLY H H 73 7.985 7.985 8.063 -0.078 25460 2591 1 6 . 1 1 74 74 LYS N N 74 120.730 120.730 119.594 1.136 25460 2592 1 6 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.577 -0.279 25460 2593 1 6 . 1 1 74 74 LYS C C 74 175.720 175.720 176.085 -0.365 25460 2594 1 6 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.577 1.153 25460 2595 1 6 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.574 -1.084 25460 2596 1 6 . 1 1 74 74 LYS H H 74 7.820 7.820 7.731 0.089 25460 2597 1 6 . 1 1 75 75 GLN N N 75 119.590 119.590 120.650 -1.060 25460 2598 1 6 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.195 -0.039 25460 2599 1 6 . 1 1 75 75 GLN C C 75 176.490 176.490 175.831 0.659 25460 2600 1 6 . 1 1 75 75 GLN CA C 75 55.580 55.580 56.437 -0.857 25460 2601 1 6 . 1 1 75 75 GLN CB C 75 29.020 29.020 29.566 -0.546 25460 2602 1 6 . 1 1 75 75 GLN H H 75 8.273 8.273 8.572 -0.299 25460 2603 1 6 . 1 1 76 76 ALA N N 76 129.340 129.340 126.158 3.182 25460 2604 1 6 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.398 -0.232 25460 2605 1 6 . 1 1 76 76 ALA C C 76 174.920 174.920 175.375 -0.455 25460 2606 1 6 . 1 1 76 76 ALA CA C 76 50.080 50.080 49.807 0.273 25460 2607 1 6 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.146 -0.266 25460 2608 1 6 . 1 1 76 76 ALA H H 76 8.698 8.698 8.420 0.278 25460 2609 1 6 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.057 0.180 25460 2610 1 6 . 1 1 77 77 PRO C C 77 178.170 178.170 176.672 1.498 25460 2611 1 6 . 1 1 77 77 PRO CA C 77 62.170 62.170 62.101 0.069 25460 2612 1 6 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.169 0.301 25460 2613 1 6 . 1 1 78 78 ASP N N 78 121.040 121.040 120.608 0.432 25460 2614 1 6 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.325 -0.108 25460 2615 1 6 . 1 1 78 78 ASP C C 78 176.610 176.610 176.484 0.126 25460 2616 1 6 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.574 -0.074 25460 2617 1 6 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.712 -0.183 25460 2618 1 6 . 1 1 78 78 ASP H H 78 8.607 8.607 8.529 0.078 25460 2619 1 6 . 1 1 79 79 TRP N N 79 114.440 114.440 114.420 0.020 25460 2620 1 6 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.621 -0.129 25460 2621 1 6 . 1 1 79 79 TRP C C 79 175.280 175.280 174.902 0.378 25460 2622 1 6 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.722 -1.092 25460 2623 1 6 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.004 0.136 25460 2624 1 6 . 1 1 79 79 TRP H H 79 6.768 6.768 7.469 -0.701 25460 2625 1 6 . 1 1 80 80 LEU N N 80 123.450 123.450 124.188 -0.738 25460 2626 1 6 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.839 -0.078 25460 2627 1 6 . 1 1 80 80 LEU C C 80 174.270 174.270 175.578 -1.308 25460 2628 1 6 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.650 1.200 25460 2629 1 6 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.751 0.139 25460 2630 1 6 . 1 1 80 80 LEU H H 80 6.577 6.577 6.794 -0.217 25460 2631 1 6 . 1 1 81 81 ALA N N 81 130.910 130.910 130.334 0.576 25460 2632 1 6 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.699 -0.032 25460 2633 1 6 . 1 1 81 81 ALA C C 81 175.210 175.210 175.491 -0.281 25460 2634 1 6 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.880 -0.570 25460 2635 1 6 . 1 1 81 81 ALA CB C 81 23.270 23.270 21.721 1.549 25460 2636 1 6 . 1 1 81 81 ALA H H 81 9.037 9.037 9.062 -0.025 25460 2637 1 6 . 1 1 82 82 ALA N N 82 119.120 119.120 126.018 -6.898 25460 2638 1 6 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.111 0.566 25460 2639 1 6 . 1 1 82 82 ALA C C 82 177.280 177.280 176.203 1.077 25460 2640 1 6 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.557 0.453 25460 2641 1 6 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.219 1.021 25460 2642 1 6 . 1 1 82 82 ALA H H 82 8.159 8.159 8.477 -0.318 25460 2643 1 6 . 1 1 83 83 GLU N N 83 116.910 116.910 122.505 -5.595 25460 2644 1 6 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.846 0.092 25460 2645 1 6 . 1 1 83 83 GLU C C 83 172.560 172.560 174.406 -1.846 25460 2646 1 6 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.564 0.446 25460 2647 1 6 . 1 1 83 83 GLU CB C 83 32.470 32.470 32.976 -0.506 25460 2648 1 6 . 1 1 83 83 GLU H H 83 8.614 8.614 8.559 0.055 25460 2649 1 6 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.565 0.948 25460 2650 1 6 . 1 1 84 84 PRO C C 84 177.340 177.340 175.630 1.710 25460 2651 1 6 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.066 -0.137 25460 2652 1 6 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.072 0.348 25460 2653 1 7 . 1 1 8 8 GLY N N 8 110.720 110.720 110.067 0.653 25460 2654 1 7 . 1 1 8 8 GLY C C 8 174.650 174.650 173.815 0.835 25460 2655 1 7 . 1 1 8 8 GLY CA C 8 45.470 45.470 45.329 0.141 25460 2656 1 7 . 1 1 8 8 GLY H H 8 8.462 8.462 8.644 -0.182 25460 2657 1 7 . 1 1 9 9 ARG N N 9 120.430 120.430 121.328 -0.898 25460 2658 1 7 . 1 1 9 9 ARG HA H 9 4.318 4.318 3.968 0.350 25460 2659 1 7 . 1 1 9 9 ARG C C 9 176.790 176.790 174.634 2.156 25460 2660 1 7 . 1 1 9 9 ARG CA C 9 56.340 56.340 56.785 -0.445 25460 2661 1 7 . 1 1 9 9 ARG CB C 9 30.530 30.530 29.273 1.257 25460 2662 1 7 . 1 1 9 9 ARG H H 9 8.206 8.206 8.213 -0.007 25460 2663 1 7 . 1 1 10 10 GLU N N 10 121.220 121.220 120.612 0.608 25460 2664 1 7 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.503 -0.293 25460 2665 1 7 . 1 1 10 10 GLU C C 10 176.600 176.600 175.217 1.383 25460 2666 1 7 . 1 1 10 10 GLU CA C 10 57.270 57.270 54.415 2.855 25460 2667 1 7 . 1 1 10 10 GLU CB C 10 29.780 29.780 32.466 -2.686 25460 2668 1 7 . 1 1 10 10 GLU H H 10 8.562 8.562 8.215 0.347 25460 2669 1 7 . 1 1 11 11 ASN N N 11 118.900 118.900 117.429 1.471 25460 2670 1 7 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.596 0.074 25460 2671 1 7 . 1 1 11 11 ASN C C 11 175.420 175.420 175.162 0.258 25460 2672 1 7 . 1 1 11 11 ASN CA C 11 53.450 53.450 54.769 -1.319 25460 2673 1 7 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.976 -0.266 25460 2674 1 7 . 1 1 11 11 ASN H H 11 8.337 8.337 8.344 -0.007 25460 2675 1 7 . 1 1 12 12 LEU N N 12 121.830 121.830 119.424 2.406 25460 2676 1 7 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.315 -0.123 25460 2677 1 7 . 1 1 12 12 LEU C C 12 177.290 177.290 175.474 1.816 25460 2678 1 7 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.097 1.533 25460 2679 1 7 . 1 1 12 12 LEU CB C 12 42.260 42.260 43.178 -0.918 25460 2680 1 7 . 1 1 12 12 LEU H H 12 7.988 7.988 7.775 0.213 25460 2681 1 7 . 1 1 13 13 TYR N N 13 119.550 119.550 122.401 -2.851 25460 2682 1 7 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.572 -0.074 25460 2683 1 7 . 1 1 13 13 TYR C C 13 175.950 175.950 175.424 0.526 25460 2684 1 7 . 1 1 13 13 TYR CA C 13 57.930 57.930 56.547 1.383 25460 2685 1 7 . 1 1 13 13 TYR CB C 13 38.590 38.590 37.068 1.522 25460 2686 1 7 . 1 1 13 13 TYR H H 13 7.966 7.966 8.472 -0.506 25460 2687 1 7 . 1 1 14 14 PHE N N 14 121.130 121.130 123.450 -2.320 25460 2688 1 7 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.537 -0.013 25460 2689 1 7 . 1 1 14 14 PHE C C 14 175.820 175.820 176.854 -1.034 25460 2690 1 7 . 1 1 14 14 PHE CA C 14 57.950 57.950 59.353 -1.403 25460 2691 1 7 . 1 1 14 14 PHE CB C 14 39.510 39.510 38.974 0.536 25460 2692 1 7 . 1 1 14 14 PHE H H 14 8.006 8.006 8.204 -0.198 25460 2693 1 7 . 1 1 15 15 GLN N N 15 121.840 121.840 119.543 2.297 25460 2694 1 7 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.019 0.166 25460 2695 1 7 . 1 1 15 15 GLN C C 15 176.420 176.420 176.067 0.353 25460 2696 1 7 . 1 1 15 15 GLN CA C 15 56.180 56.180 56.782 -0.602 25460 2697 1 7 . 1 1 15 15 GLN CB C 15 29.110 29.110 26.344 2.766 25460 2698 1 7 . 1 1 15 15 GLN H H 15 8.217 8.217 9.081 -0.864 25460 2699 1 7 . 1 1 16 16 GLY N N 16 108.430 108.430 106.532 1.898 25460 2700 1 7 . 1 1 16 16 GLY C C 16 174.140 174.140 174.310 -0.170 25460 2701 1 7 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.760 -0.450 25460 2702 1 7 . 1 1 16 16 GLY H H 16 7.907 7.907 7.984 -0.077 25460 2703 1 7 . 1 1 17 17 HIS N N 17 117.990 117.990 117.357 0.633 25460 2704 1 7 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.710 -0.833 25460 2705 1 7 . 1 1 17 17 HIS C C 17 174.610 174.610 174.336 0.274 25460 2706 1 7 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.481 -0.051 25460 2707 1 7 . 1 1 17 17 HIS CB C 17 29.280 29.280 32.316 -3.036 25460 2708 1 7 . 1 1 17 17 HIS H H 17 8.250 8.250 7.853 0.397 25460 2709 1 7 . 1 1 18 18 MET N N 18 121.430 121.430 120.872 0.558 25460 2710 1 7 . 1 1 18 18 MET HA H 18 4.395 4.395 4.530 -0.135 25460 2711 1 7 . 1 1 18 18 MET C C 18 175.750 175.750 176.254 -0.504 25460 2712 1 7 . 1 1 18 18 MET CA C 18 55.660 55.660 55.260 0.400 25460 2713 1 7 . 1 1 18 18 MET CB C 18 32.740 32.740 33.194 -0.454 25460 2714 1 7 . 1 1 18 18 MET H H 18 8.320 8.320 7.948 0.372 25460 2715 1 7 . 1 1 19 19 ALA N N 19 125.550 125.550 122.588 2.962 25460 2716 1 7 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.650 -0.378 25460 2717 1 7 . 1 1 19 19 ALA C C 19 176.950 176.950 176.904 0.046 25460 2718 1 7 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.336 0.924 25460 2719 1 7 . 1 1 19 19 ALA CB C 19 19.130 19.130 19.219 -0.089 25460 2720 1 7 . 1 1 19 19 ALA H H 19 8.262 8.262 8.314 -0.052 25460 2721 1 7 . 1 1 20 20 ALA N N 20 124.430 124.430 122.996 1.434 25460 2722 1 7 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.505 0.031 25460 2723 1 7 . 1 1 20 20 ALA C C 20 175.390 175.390 175.738 -0.348 25460 2724 1 7 . 1 1 20 20 ALA CA C 20 50.100 50.100 50.581 -0.481 25460 2725 1 7 . 1 1 20 20 ALA CB C 20 18.420 18.420 18.592 -0.172 25460 2726 1 7 . 1 1 20 20 ALA H H 20 8.083 8.083 7.776 0.307 25460 2727 1 7 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.175 0.275 25460 2728 1 7 . 1 1 21 21 PRO C C 21 175.770 175.770 176.149 -0.379 25460 2729 1 7 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.506 -7.986 25460 2730 1 7 . 1 1 21 21 PRO CB C 21 32.960 32.960 31.925 1.035 25460 2731 1 7 . 1 1 22 22 ALA N N 22 124.420 124.420 126.544 -2.124 25460 2732 1 7 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.328 0.005 25460 2733 1 7 . 1 1 22 22 ALA C C 22 176.920 176.920 177.518 -0.598 25460 2734 1 7 . 1 1 22 22 ALA CA C 22 52.350 52.350 52.351 -0.001 25460 2735 1 7 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.533 -0.343 25460 2736 1 7 . 1 1 22 22 ALA H H 22 8.235 8.235 8.133 0.102 25460 2737 1 7 . 1 1 23 23 ARG N N 23 120.140 120.140 122.100 -1.960 25460 2738 1 7 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.195 0.148 25460 2739 1 7 . 1 1 23 23 ARG C C 23 176.220 176.220 175.239 0.981 25460 2740 1 7 . 1 1 23 23 ARG CA C 23 57.000 57.000 57.439 -0.439 25460 2741 1 7 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.305 2.185 25460 2742 1 7 . 1 1 23 23 ARG H H 23 9.271 9.271 8.575 0.696 25460 2743 1 7 . 1 1 24 24 PHE N N 24 119.130 119.130 115.611 3.519 25460 2744 1 7 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.320 0.062 25460 2745 1 7 . 1 1 24 24 PHE C C 24 175.910 175.910 174.587 1.323 25460 2746 1 7 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.807 0.043 25460 2747 1 7 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.196 0.364 25460 2748 1 7 . 1 1 24 24 PHE H H 24 9.270 9.270 7.444 1.826 25460 2749 1 7 . 1 1 25 25 CYS N N 25 116.300 116.300 118.799 -2.499 25460 2750 1 7 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.552 -0.233 25460 2751 1 7 . 1 1 25 25 CYS C C 25 172.990 172.990 172.968 0.022 25460 2752 1 7 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.229 -3.029 25460 2753 1 7 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.070 9.670 25460 2754 1 7 . 1 1 25 25 CYS H H 25 9.254 9.254 9.298 -0.044 25460 2755 1 7 . 1 1 26 26 VAL N N 26 126.290 126.290 125.452 0.838 25460 2756 1 7 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.793 -0.411 25460 2757 1 7 . 1 1 26 26 VAL C C 26 174.520 174.520 174.325 0.195 25460 2758 1 7 . 1 1 26 26 VAL CA C 26 60.740 60.740 59.899 0.841 25460 2759 1 7 . 1 1 26 26 VAL CB C 26 32.380 32.380 34.148 -1.768 25460 2760 1 7 . 1 1 26 26 VAL H H 26 9.512 9.512 8.994 0.518 25460 2761 1 7 . 1 1 27 27 TYR N N 27 123.620 123.620 123.453 0.167 25460 2762 1 7 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.607 -0.463 25460 2763 1 7 . 1 1 27 27 TYR C C 27 175.400 175.400 175.198 0.202 25460 2764 1 7 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.621 1.479 25460 2765 1 7 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.872 -0.012 25460 2766 1 7 . 1 1 27 27 TYR H H 27 8.240 8.240 8.788 -0.548 25460 2767 1 7 . 1 1 28 28 TYR N N 28 119.740 119.740 120.310 -0.570 25460 2768 1 7 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.223 0.050 25460 2769 1 7 . 1 1 28 28 TYR C C 28 174.590 174.590 174.584 0.006 25460 2770 1 7 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.278 0.622 25460 2771 1 7 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.939 1.151 25460 2772 1 7 . 1 1 28 28 TYR H H 28 9.448 9.448 9.265 0.183 25460 2773 1 7 . 1 1 29 29 ASP N N 29 118.650 118.650 122.480 -3.830 25460 2774 1 7 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.036 0.219 25460 2775 1 7 . 1 1 29 29 ASP C C 29 177.670 177.670 176.093 1.577 25460 2776 1 7 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.084 -1.284 25460 2777 1 7 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.761 -0.411 25460 2778 1 7 . 1 1 29 29 ASP H H 29 8.995 8.995 9.023 -0.028 25460 2779 1 7 . 1 1 30 30 GLY N N 30 114.740 114.740 116.079 -1.339 25460 2780 1 7 . 1 1 30 30 GLY C C 30 173.320 173.320 173.564 -0.244 25460 2781 1 7 . 1 1 30 30 GLY CA C 30 44.110 44.110 44.795 -0.685 25460 2782 1 7 . 1 1 30 30 GLY H H 30 9.046 9.046 9.084 -0.038 25460 2783 1 7 . 1 1 31 31 HIS N N 31 113.880 113.880 118.095 -4.215 25460 2784 1 7 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.518 -0.025 25460 2785 1 7 . 1 1 31 31 HIS C C 31 175.230 175.230 174.040 1.190 25460 2786 1 7 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.927 0.053 25460 2787 1 7 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.258 0.372 25460 2788 1 7 . 1 1 31 31 HIS H H 31 8.306 8.306 8.370 -0.064 25460 2789 1 7 . 1 1 32 32 LEU N N 32 124.060 124.060 123.231 0.829 25460 2790 1 7 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.742 0.082 25460 2791 1 7 . 1 1 32 32 LEU C C 32 176.030 176.030 175.274 0.756 25460 2792 1 7 . 1 1 32 32 LEU CA C 32 52.080 52.080 51.795 0.285 25460 2793 1 7 . 1 1 32 32 LEU CB C 32 41.540 41.540 42.306 -0.766 25460 2794 1 7 . 1 1 32 32 LEU H H 32 8.477 8.477 7.644 0.833 25460 2795 1 7 . 1 1 33 33 PRO HA H 33 3.753 3.753 3.962 -0.209 25460 2796 1 7 . 1 1 33 33 PRO C C 33 177.880 177.880 177.899 -0.019 25460 2797 1 7 . 1 1 33 33 PRO CA C 33 65.500 65.500 65.777 -0.277 25460 2798 1 7 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.687 0.083 25460 2799 1 7 . 1 1 34 34 ALA N N 34 115.220 115.220 115.751 -0.531 25460 2800 1 7 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.239 -0.046 25460 2801 1 7 . 1 1 34 34 ALA C C 34 179.120 179.120 178.769 0.351 25460 2802 1 7 . 1 1 34 34 ALA CA C 34 54.610 54.610 54.125 0.485 25460 2803 1 7 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.757 0.673 25460 2804 1 7 . 1 1 34 34 ALA H H 34 8.193 8.193 8.579 -0.386 25460 2805 1 7 . 1 1 35 35 THR N N 35 102.120 102.120 113.498 -11.378 25460 2806 1 7 . 1 1 35 35 THR HA H 35 4.597 4.597 4.301 0.296 25460 2807 1 7 . 1 1 35 35 THR C C 35 175.610 175.610 175.066 0.544 25460 2808 1 7 . 1 1 35 35 THR CA C 35 60.400 60.400 62.368 -1.968 25460 2809 1 7 . 1 1 35 35 THR CB C 35 70.550 70.550 69.171 1.379 25460 2810 1 7 . 1 1 35 35 THR H H 35 7.187 7.187 7.583 -0.396 25460 2811 1 7 . 1 1 36 36 ARG N N 36 122.520 122.520 121.973 0.547 25460 2812 1 7 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.575 0.188 25460 2813 1 7 . 1 1 36 36 ARG C C 36 175.220 175.220 175.570 -0.350 25460 2814 1 7 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.501 0.589 25460 2815 1 7 . 1 1 36 36 ARG CB C 36 29.880 29.880 31.325 -1.445 25460 2816 1 7 . 1 1 36 36 ARG H H 36 7.918 7.918 7.545 0.373 25460 2817 1 7 . 1 1 37 37 VAL N N 37 122.110 122.110 120.975 1.135 25460 2818 1 7 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.357 -0.016 25460 2819 1 7 . 1 1 37 37 VAL C C 37 175.690 175.690 175.657 0.033 25460 2820 1 7 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.438 0.892 25460 2821 1 7 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.520 1.530 25460 2822 1 7 . 1 1 37 37 VAL H H 37 8.603 8.603 8.329 0.274 25460 2823 1 7 . 1 1 38 38 LEU N N 38 130.470 130.470 128.250 2.220 25460 2824 1 7 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.148 -0.379 25460 2825 1 7 . 1 1 38 38 LEU C C 38 176.510 176.510 175.709 0.801 25460 2826 1 7 . 1 1 38 38 LEU CA C 38 57.370 57.370 55.928 1.442 25460 2827 1 7 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.795 0.025 25460 2828 1 7 . 1 1 38 38 LEU H H 38 8.708 8.708 8.657 0.051 25460 2829 1 7 . 1 1 39 39 LEU N N 39 126.440 126.440 127.433 -0.993 25460 2830 1 7 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.494 0.133 25460 2831 1 7 . 1 1 39 39 LEU C C 39 176.800 176.800 176.477 0.323 25460 2832 1 7 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.564 0.166 25460 2833 1 7 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.081 -0.751 25460 2834 1 7 . 1 1 39 39 LEU H H 39 9.254 9.254 8.773 0.481 25460 2835 1 7 . 1 1 40 40 MET N N 40 114.550 114.550 113.918 0.632 25460 2836 1 7 . 1 1 40 40 MET HA H 40 4.471 4.471 4.697 -0.226 25460 2837 1 7 . 1 1 40 40 MET C C 40 173.750 173.750 173.716 0.034 25460 2838 1 7 . 1 1 40 40 MET CA C 40 56.040 56.040 54.953 1.087 25460 2839 1 7 . 1 1 40 40 MET CB C 40 36.880 36.880 37.488 -0.608 25460 2840 1 7 . 1 1 40 40 MET H H 40 7.054 7.054 7.448 -0.394 25460 2841 1 7 . 1 1 41 41 TYR N N 41 123.270 123.270 119.253 4.017 25460 2842 1 7 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.530 -0.717 25460 2843 1 7 . 1 1 41 41 TYR C C 41 175.680 175.680 175.616 0.064 25460 2844 1 7 . 1 1 41 41 TYR CA C 41 57.940 57.940 56.686 1.254 25460 2845 1 7 . 1 1 41 41 TYR CB C 41 39.460 39.460 40.691 -1.231 25460 2846 1 7 . 1 1 41 41 TYR H H 41 8.563 8.563 8.411 0.152 25460 2847 1 7 . 1 1 42 42 VAL N N 42 123.930 123.930 121.391 2.539 25460 2848 1 7 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.627 -0.218 25460 2849 1 7 . 1 1 42 42 VAL C C 42 175.600 175.600 174.185 1.415 25460 2850 1 7 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.915 0.565 25460 2851 1 7 . 1 1 42 42 VAL CB C 42 35.310 35.310 36.267 -0.957 25460 2852 1 7 . 1 1 42 42 VAL H H 42 9.442 9.442 9.468 -0.026 25460 2853 1 7 . 1 1 43 43 ARG N N 43 129.290 129.290 125.612 3.678 25460 2854 1 7 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.622 -0.698 25460 2855 1 7 . 1 1 43 43 ARG C C 43 177.010 177.010 176.382 0.628 25460 2856 1 7 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.796 0.964 25460 2857 1 7 . 1 1 43 43 ARG CB C 43 29.980 29.980 31.663 -1.683 25460 2858 1 7 . 1 1 43 43 ARG H H 43 8.940 8.940 8.901 0.039 25460 2859 1 7 . 1 1 44 44 ILE N N 44 128.260 128.260 125.249 3.011 25460 2860 1 7 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.727 -0.041 25460 2861 1 7 . 1 1 44 44 ILE C C 44 177.020 177.020 176.680 0.340 25460 2862 1 7 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.527 2.403 25460 2863 1 7 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.799 1.441 25460 2864 1 7 . 1 1 44 44 ILE H H 44 8.345 8.345 8.276 0.069 25460 2865 1 7 . 1 1 45 45 GLY N N 45 115.530 115.530 116.537 -1.007 25460 2866 1 7 . 1 1 45 45 GLY C C 45 174.860 174.860 173.933 0.927 25460 2867 1 7 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.985 -0.745 25460 2868 1 7 . 1 1 45 45 GLY H H 45 9.423 9.423 9.137 0.286 25460 2869 1 7 . 1 1 46 46 THR N N 46 111.410 111.410 114.183 -2.773 25460 2870 1 7 . 1 1 46 46 THR HA H 46 4.974 4.974 4.743 0.231 25460 2871 1 7 . 1 1 46 46 THR C C 46 172.310 172.310 174.118 -1.808 25460 2872 1 7 . 1 1 46 46 THR CA C 46 60.280 60.280 59.792 0.488 25460 2873 1 7 . 1 1 46 46 THR CB C 46 72.160 72.160 71.060 1.100 25460 2874 1 7 . 1 1 46 46 THR H H 46 7.925 7.925 7.844 0.081 25460 2875 1 7 . 1 1 47 47 THR N N 47 109.430 109.430 111.890 -2.460 25460 2876 1 7 . 1 1 47 47 THR HA H 47 5.383 5.383 5.108 0.275 25460 2877 1 7 . 1 1 47 47 THR C C 47 174.560 174.560 173.970 0.590 25460 2878 1 7 . 1 1 47 47 THR CA C 47 59.240 59.240 60.219 -0.979 25460 2879 1 7 . 1 1 47 47 THR CB C 47 71.840 71.840 70.914 0.926 25460 2880 1 7 . 1 1 47 47 THR H H 47 7.784 7.784 8.241 -0.457 25460 2881 1 7 . 1 1 48 48 ALA N N 48 122.630 122.630 122.964 -0.334 25460 2882 1 7 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.581 0.077 25460 2883 1 7 . 1 1 48 48 ALA C C 48 175.620 175.620 175.410 0.210 25460 2884 1 7 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.714 -0.114 25460 2885 1 7 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.169 2.241 25460 2886 1 7 . 1 1 48 48 ALA H H 48 8.681 8.681 8.952 -0.271 25460 2887 1 7 . 1 1 49 49 THR N N 49 116.020 116.020 117.953 -1.933 25460 2888 1 7 . 1 1 49 49 THR HA H 49 4.914 4.914 4.860 0.054 25460 2889 1 7 . 1 1 49 49 THR C C 49 174.400 174.400 174.006 0.394 25460 2890 1 7 . 1 1 49 49 THR CA C 49 62.320 62.320 62.361 -0.041 25460 2891 1 7 . 1 1 49 49 THR CB C 49 69.260 69.260 68.737 0.523 25460 2892 1 7 . 1 1 49 49 THR H H 49 8.347 8.347 8.331 0.016 25460 2893 1 7 . 1 1 50 50 ILE N N 50 126.050 126.050 128.885 -2.835 25460 2894 1 7 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.276 0.160 25460 2895 1 7 . 1 1 50 50 ILE C C 50 175.080 175.080 175.474 -0.394 25460 2896 1 7 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.828 0.682 25460 2897 1 7 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.985 1.685 25460 2898 1 7 . 1 1 50 50 ILE H H 50 9.199 9.199 9.132 0.067 25460 2899 1 7 . 1 1 51 51 THR N N 51 120.630 120.630 122.400 -1.770 25460 2900 1 7 . 1 1 51 51 THR HA H 51 5.312 5.312 5.447 -0.135 25460 2901 1 7 . 1 1 51 51 THR C C 51 174.250 174.250 173.197 1.053 25460 2902 1 7 . 1 1 51 51 THR CA C 51 61.030 61.030 61.334 -0.304 25460 2903 1 7 . 1 1 51 51 THR CB C 51 69.850 69.850 70.046 -0.196 25460 2904 1 7 . 1 1 51 51 THR H H 51 8.500 8.500 8.575 -0.075 25460 2905 1 7 . 1 1 52 52 ALA N N 52 127.710 127.710 127.369 0.341 25460 2906 1 7 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.882 -0.171 25460 2907 1 7 . 1 1 52 52 ALA C C 52 176.530 176.530 176.872 -0.342 25460 2908 1 7 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.858 0.122 25460 2909 1 7 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.913 0.807 25460 2910 1 7 . 1 1 52 52 ALA H H 52 9.202 9.202 9.165 0.037 25460 2911 1 7 . 1 1 53 53 ARG N N 53 118.780 118.780 122.302 -3.522 25460 2912 1 7 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.986 -0.130 25460 2913 1 7 . 1 1 53 53 ARG C C 53 177.070 177.070 175.907 1.163 25460 2914 1 7 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.583 0.447 25460 2915 1 7 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.995 -0.955 25460 2916 1 7 . 1 1 53 53 ARG H H 53 9.303 9.303 9.200 0.103 25460 2917 1 7 . 1 1 54 54 GLY N N 54 104.070 104.070 103.363 0.707 25460 2918 1 7 . 1 1 54 54 GLY C C 54 174.110 174.110 173.883 0.227 25460 2919 1 7 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.076 0.284 25460 2920 1 7 . 1 1 54 54 GLY H H 54 8.714 8.714 8.449 0.265 25460 2921 1 7 . 1 1 55 55 HIS N N 55 119.170 119.170 120.713 -1.543 25460 2922 1 7 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.470 0.306 25460 2923 1 7 . 1 1 55 55 HIS C C 55 172.310 172.310 173.589 -1.279 25460 2924 1 7 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.426 -1.396 25460 2925 1 7 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.735 1.365 25460 2926 1 7 . 1 1 55 55 HIS H H 55 8.227 8.227 8.150 0.077 25460 2927 1 7 . 1 1 56 56 GLU N N 56 119.640 119.640 123.627 -3.987 25460 2928 1 7 . 1 1 56 56 GLU HA H 56 5.087 5.087 4.915 0.172 25460 2929 1 7 . 1 1 56 56 GLU C C 56 176.150 176.150 175.426 0.724 25460 2930 1 7 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.163 -0.073 25460 2931 1 7 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.394 1.386 25460 2932 1 7 . 1 1 56 56 GLU H H 56 8.024 8.024 8.636 -0.612 25460 2933 1 7 . 1 1 57 57 PHE N N 57 121.660 121.660 125.333 -3.673 25460 2934 1 7 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.691 0.083 25460 2935 1 7 . 1 1 57 57 PHE C C 57 173.930 173.930 174.754 -0.824 25460 2936 1 7 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.791 -0.321 25460 2937 1 7 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.209 1.241 25460 2938 1 7 . 1 1 57 57 PHE H H 57 9.219 9.219 9.162 0.057 25460 2939 1 7 . 1 1 58 58 GLU N N 58 125.630 125.630 126.363 -0.733 25460 2940 1 7 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.759 0.465 25460 2941 1 7 . 1 1 58 58 GLU C C 58 175.820 175.820 175.767 0.053 25460 2942 1 7 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.351 0.109 25460 2943 1 7 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.826 0.124 25460 2944 1 7 . 1 1 58 58 GLU H H 58 8.597 8.597 8.967 -0.370 25460 2945 1 7 . 1 1 59 59 VAL N N 59 120.690 120.690 120.420 0.270 25460 2946 1 7 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.617 0.798 25460 2947 1 7 . 1 1 59 59 VAL C C 59 174.790 174.790 174.004 0.786 25460 2948 1 7 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.397 -0.847 25460 2949 1 7 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.725 -0.575 25460 2950 1 7 . 1 1 59 59 VAL H H 59 8.809 8.809 9.092 -0.283 25460 2951 1 7 . 1 1 60 60 GLU N N 60 118.570 118.570 122.696 -4.126 25460 2952 1 7 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.670 -0.053 25460 2953 1 7 . 1 1 60 60 GLU C C 60 176.050 176.050 175.378 0.672 25460 2954 1 7 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.179 0.001 25460 2955 1 7 . 1 1 60 60 GLU CB C 60 32.050 32.050 33.167 -1.117 25460 2956 1 7 . 1 1 60 60 GLU H H 60 8.024 8.024 8.604 -0.580 25460 2957 1 7 . 1 1 61 61 ALA N N 61 132.630 132.630 132.492 0.138 25460 2958 1 7 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.561 0.138 25460 2959 1 7 . 1 1 61 61 ALA C C 61 176.260 176.260 177.567 -1.307 25460 2960 1 7 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.733 -1.213 25460 2961 1 7 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.851 -1.141 25460 2962 1 7 . 1 1 61 61 ALA H H 61 8.230 8.230 9.058 -0.828 25460 2963 1 7 . 1 1 62 62 LYS N N 62 126.080 126.080 123.705 2.375 25460 2964 1 7 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.127 -0.129 25460 2965 1 7 . 1 1 62 62 LYS C C 62 177.030 177.030 176.826 0.204 25460 2966 1 7 . 1 1 62 62 LYS CA C 62 59.590 59.590 58.606 0.984 25460 2967 1 7 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.894 1.646 25460 2968 1 7 . 1 1 62 62 LYS H H 62 9.070 9.070 8.094 0.976 25460 2969 1 7 . 1 1 63 63 ASP N N 63 110.550 110.550 112.897 -2.347 25460 2970 1 7 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.781 -0.395 25460 2971 1 7 . 1 1 63 63 ASP C C 63 175.810 175.810 176.126 -0.316 25460 2972 1 7 . 1 1 63 63 ASP CA C 63 53.150 53.150 53.213 -0.063 25460 2973 1 7 . 1 1 63 63 ASP CB C 63 41.250 41.250 42.775 -1.525 25460 2974 1 7 . 1 1 63 63 ASP H H 63 7.507 7.507 7.871 -0.364 25460 2975 1 7 . 1 1 64 64 GLN N N 64 112.740 112.740 118.479 -5.739 25460 2976 1 7 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.100 -0.000 25460 2977 1 7 . 1 1 64 64 GLN C C 64 175.950 175.950 176.508 -0.558 25460 2978 1 7 . 1 1 64 64 GLN CA C 64 57.690 57.690 58.344 -0.654 25460 2979 1 7 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.712 -0.872 25460 2980 1 7 . 1 1 64 64 GLN H H 64 8.410 8.410 8.662 -0.252 25460 2981 1 7 . 1 1 65 65 ASN N N 65 117.790 117.790 115.477 2.313 25460 2982 1 7 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.709 -0.130 25460 2983 1 7 . 1 1 65 65 ASN C C 65 177.250 177.250 174.937 2.313 25460 2984 1 7 . 1 1 65 65 ASN CA C 65 55.120 55.120 54.384 0.736 25460 2985 1 7 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.417 -1.507 25460 2986 1 7 . 1 1 65 65 ASN H H 65 8.747 8.747 7.769 0.978 25460 2987 1 7 . 1 1 66 66 CYS N N 66 112.640 112.640 115.487 -2.847 25460 2988 1 7 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.193 0.232 25460 2989 1 7 . 1 1 66 66 CYS C C 66 174.970 174.970 173.848 1.122 25460 2990 1 7 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.250 -4.120 25460 2991 1 7 . 1 1 66 66 CYS CB C 66 36.160 36.160 25.132 11.028 25460 2992 1 7 . 1 1 66 66 CYS H H 66 8.527 8.527 7.713 0.814 25460 2993 1 7 . 1 1 67 67 LYS N N 67 116.240 116.240 121.556 -5.316 25460 2994 1 7 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.474 -0.297 25460 2995 1 7 . 1 1 67 67 LYS C C 67 178.480 178.480 175.760 2.720 25460 2996 1 7 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.583 2.277 25460 2997 1 7 . 1 1 67 67 LYS CB C 67 32.120 32.120 33.859 -1.739 25460 2998 1 7 . 1 1 67 67 LYS H H 67 8.014 8.014 8.226 -0.212 25460 2999 1 7 . 1 1 68 68 VAL N N 68 126.980 126.980 128.191 -1.211 25460 3000 1 7 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.164 -0.489 25460 3001 1 7 . 1 1 68 68 VAL C C 68 174.460 174.460 174.208 0.252 25460 3002 1 7 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.809 2.942 25460 3003 1 7 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.846 -1.687 25460 3004 1 7 . 1 1 68 68 VAL H H 68 8.967 8.967 8.745 0.222 25460 3005 1 7 . 1 1 69 69 ILE N N 69 132.540 132.540 129.421 3.119 25460 3006 1 7 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.664 -0.485 25460 3007 1 7 . 1 1 69 69 ILE C C 69 175.060 175.060 175.355 -0.295 25460 3008 1 7 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.731 0.829 25460 3009 1 7 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.237 1.253 25460 3010 1 7 . 1 1 69 69 ILE H H 69 8.689 8.689 7.812 0.877 25460 3011 1 7 . 1 1 70 70 LEU N N 70 125.290 125.290 125.164 0.126 25460 3012 1 7 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.780 0.518 25460 3013 1 7 . 1 1 70 70 LEU C C 70 180.800 180.800 179.276 1.524 25460 3014 1 7 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.597 -1.407 25460 3015 1 7 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.493 -1.343 25460 3016 1 7 . 1 1 70 70 LEU H H 70 8.829 8.829 9.257 -0.428 25460 3017 1 7 . 1 1 71 71 THR N N 71 115.510 115.510 112.702 2.808 25460 3018 1 7 . 1 1 71 71 THR HA H 71 4.094 4.094 4.186 -0.092 25460 3019 1 7 . 1 1 71 71 THR C C 71 176.240 176.240 175.827 0.413 25460 3020 1 7 . 1 1 71 71 THR CA C 71 63.950 63.950 64.858 -0.908 25460 3021 1 7 . 1 1 71 71 THR CB C 71 68.280 68.280 68.685 -0.405 25460 3022 1 7 . 1 1 71 71 THR H H 71 8.546 8.546 8.709 -0.163 25460 3023 1 7 . 1 1 72 72 ASN N N 72 117.010 117.010 118.571 -1.561 25460 3024 1 7 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.744 -0.180 25460 3025 1 7 . 1 1 72 72 ASN C C 72 177.340 177.340 175.835 1.505 25460 3026 1 7 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.580 -0.870 25460 3027 1 7 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.683 -1.463 25460 3028 1 7 . 1 1 72 72 ASN H H 72 8.162 8.162 8.219 -0.057 25460 3029 1 7 . 1 1 73 73 GLY N N 73 106.660 106.660 107.265 -0.605 25460 3030 1 7 . 1 1 73 73 GLY C C 73 175.020 175.020 173.616 1.404 25460 3031 1 7 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.568 0.133 25460 3032 1 7 . 1 1 73 73 GLY H H 73 7.985 7.985 7.800 0.185 25460 3033 1 7 . 1 1 74 74 LYS N N 74 120.730 120.730 119.614 1.116 25460 3034 1 7 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.573 -0.275 25460 3035 1 7 . 1 1 74 74 LYS C C 74 175.720 175.720 175.818 -0.098 25460 3036 1 7 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.608 1.121 25460 3037 1 7 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.536 -1.046 25460 3038 1 7 . 1 1 74 74 LYS H H 74 7.820 7.820 7.968 -0.148 25460 3039 1 7 . 1 1 75 75 GLN N N 75 119.590 119.590 121.425 -1.835 25460 3040 1 7 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.587 -0.431 25460 3041 1 7 . 1 1 75 75 GLN C C 75 176.490 176.490 176.057 0.433 25460 3042 1 7 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.863 -0.283 25460 3043 1 7 . 1 1 75 75 GLN CB C 75 29.020 29.020 28.971 0.049 25460 3044 1 7 . 1 1 75 75 GLN H H 75 8.273 8.273 8.662 -0.389 25460 3045 1 7 . 1 1 76 76 ALA N N 76 129.340 129.340 129.320 0.020 25460 3046 1 7 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.278 -0.112 25460 3047 1 7 . 1 1 76 76 ALA C C 76 174.920 174.920 175.496 -0.576 25460 3048 1 7 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.701 -0.621 25460 3049 1 7 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.955 -0.075 25460 3050 1 7 . 1 1 76 76 ALA H H 76 8.698 8.698 8.408 0.290 25460 3051 1 7 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.213 0.024 25460 3052 1 7 . 1 1 77 77 PRO C C 77 178.170 178.170 177.594 0.576 25460 3053 1 7 . 1 1 77 77 PRO CA C 77 62.170 62.170 62.960 -0.790 25460 3054 1 7 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.928 -0.458 25460 3055 1 7 . 1 1 78 78 ASP N N 78 121.040 121.040 121.821 -0.781 25460 3056 1 7 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.259 -0.042 25460 3057 1 7 . 1 1 78 78 ASP C C 78 176.610 176.610 176.958 -0.348 25460 3058 1 7 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.996 -0.496 25460 3059 1 7 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.574 -0.044 25460 3060 1 7 . 1 1 78 78 ASP H H 78 8.607 8.607 8.552 0.055 25460 3061 1 7 . 1 1 79 79 TRP N N 79 114.440 114.440 113.257 1.183 25460 3062 1 7 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.555 -0.063 25460 3063 1 7 . 1 1 79 79 TRP C C 79 175.280 175.280 175.700 -0.420 25460 3064 1 7 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.584 -0.954 25460 3065 1 7 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.188 -0.048 25460 3066 1 7 . 1 1 79 79 TRP H H 79 6.768 6.768 7.546 -0.778 25460 3067 1 7 . 1 1 80 80 LEU N N 80 123.450 123.450 124.556 -1.106 25460 3068 1 7 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.686 0.075 25460 3069 1 7 . 1 1 80 80 LEU C C 80 174.270 174.270 175.174 -0.904 25460 3070 1 7 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.449 1.401 25460 3071 1 7 . 1 1 80 80 LEU CB C 80 41.890 41.890 40.878 1.012 25460 3072 1 7 . 1 1 80 80 LEU H H 80 6.577 6.577 7.148 -0.571 25460 3073 1 7 . 1 1 81 81 ALA N N 81 130.910 130.910 130.244 0.666 25460 3074 1 7 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.659 0.008 25460 3075 1 7 . 1 1 81 81 ALA C C 81 175.210 175.210 175.454 -0.244 25460 3076 1 7 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.760 -0.450 25460 3077 1 7 . 1 1 81 81 ALA CB C 81 23.270 23.270 21.331 1.938 25460 3078 1 7 . 1 1 81 81 ALA H H 81 9.037 9.037 8.812 0.225 25460 3079 1 7 . 1 1 82 82 ALA N N 82 119.120 119.120 127.627 -8.507 25460 3080 1 7 . 1 1 82 82 ALA HA H 82 5.677 5.677 4.923 0.754 25460 3081 1 7 . 1 1 82 82 ALA C C 82 177.280 177.280 176.480 0.800 25460 3082 1 7 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.440 0.570 25460 3083 1 7 . 1 1 82 82 ALA CB C 82 22.240 22.240 20.615 1.625 25460 3084 1 7 . 1 1 82 82 ALA H H 82 8.159 8.159 8.565 -0.406 25460 3085 1 7 . 1 1 83 83 GLU N N 83 116.910 116.910 122.235 -5.325 25460 3086 1 7 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.910 0.028 25460 3087 1 7 . 1 1 83 83 GLU C C 83 172.560 172.560 174.299 -1.739 25460 3088 1 7 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.735 0.275 25460 3089 1 7 . 1 1 83 83 GLU CB C 83 32.470 32.470 32.344 0.126 25460 3090 1 7 . 1 1 83 83 GLU H H 83 8.614 8.614 8.620 -0.006 25460 3091 1 7 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.463 1.050 25460 3092 1 7 . 1 1 84 84 PRO C C 84 177.340 177.340 175.733 1.607 25460 3093 1 7 . 1 1 84 84 PRO CA C 84 62.930 62.930 62.995 -0.065 25460 3094 1 7 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.875 0.545 25460 3095 1 8 . 1 1 8 8 GLY N N 8 110.720 110.720 109.841 0.879 25460 3096 1 8 . 1 1 8 8 GLY C C 8 174.650 174.650 173.584 1.066 25460 3097 1 8 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.909 0.561 25460 3098 1 8 . 1 1 8 8 GLY H H 8 8.462 8.462 8.235 0.227 25460 3099 1 8 . 1 1 9 9 ARG N N 9 120.430 120.430 123.337 -2.907 25460 3100 1 8 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.449 -0.131 25460 3101 1 8 . 1 1 9 9 ARG C C 9 176.790 176.790 175.330 1.460 25460 3102 1 8 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.356 0.984 25460 3103 1 8 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.906 -0.376 25460 3104 1 8 . 1 1 9 9 ARG H H 9 8.206 8.206 8.507 -0.301 25460 3105 1 8 . 1 1 10 10 GLU N N 10 121.220 121.220 125.122 -3.902 25460 3106 1 8 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.110 0.100 25460 3107 1 8 . 1 1 10 10 GLU C C 10 176.600 176.600 175.960 0.640 25460 3108 1 8 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.934 0.336 25460 3109 1 8 . 1 1 10 10 GLU CB C 10 29.780 29.780 28.874 0.906 25460 3110 1 8 . 1 1 10 10 GLU H H 10 8.562 8.562 8.757 -0.195 25460 3111 1 8 . 1 1 11 11 ASN N N 11 118.900 118.900 121.180 -2.280 25460 3112 1 8 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.285 0.385 25460 3113 1 8 . 1 1 11 11 ASN C C 11 175.420 175.420 174.241 1.179 25460 3114 1 8 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.574 0.876 25460 3115 1 8 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.615 0.094 25460 3116 1 8 . 1 1 11 11 ASN H H 11 8.337 8.337 8.516 -0.179 25460 3117 1 8 . 1 1 12 12 LEU N N 12 121.830 121.830 122.066 -0.236 25460 3118 1 8 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.145 0.047 25460 3119 1 8 . 1 1 12 12 LEU C C 12 177.290 177.290 174.763 2.527 25460 3120 1 8 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.186 1.444 25460 3121 1 8 . 1 1 12 12 LEU CB C 12 42.260 42.260 40.841 1.419 25460 3122 1 8 . 1 1 12 12 LEU H H 12 7.988 7.988 7.314 0.674 25460 3123 1 8 . 1 1 13 13 TYR N N 13 119.550 119.550 126.169 -6.619 25460 3124 1 8 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.529 -0.031 25460 3125 1 8 . 1 1 13 13 TYR C C 13 175.950 175.950 175.711 0.239 25460 3126 1 8 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.090 0.840 25460 3127 1 8 . 1 1 13 13 TYR CB C 13 38.590 38.590 38.683 -0.093 25460 3128 1 8 . 1 1 13 13 TYR H H 13 7.966 7.966 7.754 0.212 25460 3129 1 8 . 1 1 14 14 PHE N N 14 121.130 121.130 124.741 -3.611 25460 3130 1 8 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.523 0.001 25460 3131 1 8 . 1 1 14 14 PHE C C 14 175.820 175.820 176.114 -0.294 25460 3132 1 8 . 1 1 14 14 PHE CA C 14 57.950 57.950 58.054 -0.104 25460 3133 1 8 . 1 1 14 14 PHE CB C 14 39.510 39.510 38.928 0.582 25460 3134 1 8 . 1 1 14 14 PHE H H 14 8.006 8.006 8.986 -0.980 25460 3135 1 8 . 1 1 15 15 GLN N N 15 121.840 121.840 126.710 -4.870 25460 3136 1 8 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.593 -0.408 25460 3137 1 8 . 1 1 15 15 GLN C C 15 176.420 176.420 175.582 0.838 25460 3138 1 8 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.258 0.922 25460 3139 1 8 . 1 1 15 15 GLN CB C 15 29.110 29.110 28.223 0.887 25460 3140 1 8 . 1 1 15 15 GLN H H 15 8.217 8.217 8.927 -0.710 25460 3141 1 8 . 1 1 16 16 GLY N N 16 108.430 108.430 110.852 -2.422 25460 3142 1 8 . 1 1 16 16 GLY C C 16 174.140 174.140 174.426 -0.286 25460 3143 1 8 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.043 0.267 25460 3144 1 8 . 1 1 16 16 GLY H H 16 7.907 7.907 8.498 -0.591 25460 3145 1 8 . 1 1 17 17 HIS N N 17 117.990 117.990 120.627 -2.637 25460 3146 1 8 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.532 -0.655 25460 3147 1 8 . 1 1 17 17 HIS C C 17 174.610 174.610 174.359 0.251 25460 3148 1 8 . 1 1 17 17 HIS CA C 17 55.430 55.430 56.314 -0.884 25460 3149 1 8 . 1 1 17 17 HIS CB C 17 29.280 29.280 28.930 0.350 25460 3150 1 8 . 1 1 17 17 HIS H H 17 8.250 8.250 8.120 0.130 25460 3151 1 8 . 1 1 18 18 MET N N 18 121.430 121.430 123.760 -2.330 25460 3152 1 8 . 1 1 18 18 MET HA H 18 4.395 4.395 4.746 -0.351 25460 3153 1 8 . 1 1 18 18 MET C C 18 175.750 175.750 175.492 0.258 25460 3154 1 8 . 1 1 18 18 MET CA C 18 55.660 55.660 53.809 1.851 25460 3155 1 8 . 1 1 18 18 MET CB C 18 32.740 32.740 34.683 -1.943 25460 3156 1 8 . 1 1 18 18 MET H H 18 8.320 8.320 8.169 0.151 25460 3157 1 8 . 1 1 19 19 ALA N N 19 125.550 125.550 123.483 2.067 25460 3158 1 8 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.416 -0.144 25460 3159 1 8 . 1 1 19 19 ALA C C 19 176.950 176.950 176.942 0.008 25460 3160 1 8 . 1 1 19 19 ALA CA C 19 52.260 52.260 52.198 0.062 25460 3161 1 8 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.407 0.723 25460 3162 1 8 . 1 1 19 19 ALA H H 19 8.262 8.262 8.504 -0.242 25460 3163 1 8 . 1 1 20 20 ALA N N 20 124.430 124.430 120.344 4.086 25460 3164 1 8 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.158 0.378 25460 3165 1 8 . 1 1 20 20 ALA C C 20 175.390 175.390 174.790 0.600 25460 3166 1 8 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.428 -1.329 25460 3167 1 8 . 1 1 20 20 ALA CB C 20 18.420 18.420 18.108 0.312 25460 3168 1 8 . 1 1 20 20 ALA H H 20 8.083 8.083 7.693 0.390 25460 3169 1 8 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.387 0.063 25460 3170 1 8 . 1 1 21 21 PRO C C 21 175.770 175.770 175.961 -0.191 25460 3171 1 8 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.039 -7.519 25460 3172 1 8 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.285 0.675 25460 3173 1 8 . 1 1 22 22 ALA N N 22 124.420 124.420 126.754 -2.334 25460 3174 1 8 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.282 0.051 25460 3175 1 8 . 1 1 22 22 ALA C C 22 176.920 176.920 177.379 -0.459 25460 3176 1 8 . 1 1 22 22 ALA CA C 22 52.350 52.350 52.252 0.098 25460 3177 1 8 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.680 -0.490 25460 3178 1 8 . 1 1 22 22 ALA H H 22 8.235 8.235 8.263 -0.028 25460 3179 1 8 . 1 1 23 23 ARG N N 23 120.140 120.140 121.323 -1.183 25460 3180 1 8 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.392 -0.049 25460 3181 1 8 . 1 1 23 23 ARG C C 23 176.220 176.220 176.290 -0.070 25460 3182 1 8 . 1 1 23 23 ARG CA C 23 57.000 57.000 58.115 -1.115 25460 3183 1 8 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.972 1.518 25460 3184 1 8 . 1 1 23 23 ARG H H 23 9.271 9.271 8.912 0.359 25460 3185 1 8 . 1 1 24 24 PHE N N 24 119.130 119.130 116.169 2.961 25460 3186 1 8 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.532 -0.150 25460 3187 1 8 . 1 1 24 24 PHE C C 24 175.910 175.910 174.183 1.727 25460 3188 1 8 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.630 0.220 25460 3189 1 8 . 1 1 24 24 PHE CB C 24 43.560 43.560 44.056 -0.496 25460 3190 1 8 . 1 1 24 24 PHE H H 24 9.270 9.270 8.030 1.240 25460 3191 1 8 . 1 1 25 25 CYS N N 25 116.300 116.300 119.176 -2.876 25460 3192 1 8 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.151 0.168 25460 3193 1 8 . 1 1 25 25 CYS C C 25 172.990 172.990 173.931 -0.941 25460 3194 1 8 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.972 -3.772 25460 3195 1 8 . 1 1 25 25 CYS CB C 25 39.740 39.740 29.256 10.483 25460 3196 1 8 . 1 1 25 25 CYS H H 25 9.254 9.254 9.115 0.139 25460 3197 1 8 . 1 1 26 26 VAL N N 26 126.290 126.290 124.140 2.150 25460 3198 1 8 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.123 0.259 25460 3199 1 8 . 1 1 26 26 VAL C C 26 174.520 174.520 174.741 -0.221 25460 3200 1 8 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.211 -0.471 25460 3201 1 8 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.112 0.268 25460 3202 1 8 . 1 1 26 26 VAL H H 26 9.512 9.512 9.032 0.480 25460 3203 1 8 . 1 1 27 27 TYR N N 27 123.620 123.620 126.462 -2.842 25460 3204 1 8 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.547 -0.403 25460 3205 1 8 . 1 1 27 27 TYR C C 27 175.400 175.400 175.342 0.058 25460 3206 1 8 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.870 1.230 25460 3207 1 8 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.715 0.145 25460 3208 1 8 . 1 1 27 27 TYR H H 27 8.240 8.240 8.819 -0.579 25460 3209 1 8 . 1 1 28 28 TYR N N 28 119.740 119.740 119.837 -0.097 25460 3210 1 8 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.274 -0.001 25460 3211 1 8 . 1 1 28 28 TYR C C 28 174.590 174.590 174.731 -0.141 25460 3212 1 8 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.391 0.509 25460 3213 1 8 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.694 1.396 25460 3214 1 8 . 1 1 28 28 TYR H H 28 9.448 9.448 9.362 0.086 25460 3215 1 8 . 1 1 29 29 ASP N N 29 118.650 118.650 123.078 -4.428 25460 3216 1 8 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.172 0.083 25460 3217 1 8 . 1 1 29 29 ASP C C 29 177.670 177.670 175.895 1.775 25460 3218 1 8 . 1 1 29 29 ASP CA C 29 52.800 52.800 53.349 -0.549 25460 3219 1 8 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.331 0.019 25460 3220 1 8 . 1 1 29 29 ASP H H 29 8.995 8.995 9.196 -0.201 25460 3221 1 8 . 1 1 30 30 GLY N N 30 114.740 114.740 115.444 -0.704 25460 3222 1 8 . 1 1 30 30 GLY C C 30 173.320 173.320 172.874 0.446 25460 3223 1 8 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.206 -1.095 25460 3224 1 8 . 1 1 30 30 GLY H H 30 9.046 9.046 8.846 0.200 25460 3225 1 8 . 1 1 31 31 HIS N N 31 113.880 113.880 120.411 -6.531 25460 3226 1 8 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.539 -0.046 25460 3227 1 8 . 1 1 31 31 HIS C C 31 175.230 175.230 174.121 1.109 25460 3228 1 8 . 1 1 31 31 HIS CA C 31 55.980 55.980 57.386 -1.406 25460 3229 1 8 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.121 0.509 25460 3230 1 8 . 1 1 31 31 HIS H H 31 8.306 8.306 8.642 -0.336 25460 3231 1 8 . 1 1 32 32 LEU N N 32 124.060 124.060 119.013 5.047 25460 3232 1 8 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.675 0.149 25460 3233 1 8 . 1 1 32 32 LEU C C 32 176.030 176.030 175.168 0.862 25460 3234 1 8 . 1 1 32 32 LEU CA C 32 52.080 52.080 51.160 0.920 25460 3235 1 8 . 1 1 32 32 LEU CB C 32 41.540 41.540 45.187 -3.647 25460 3236 1 8 . 1 1 32 32 LEU H H 32 8.477 8.477 7.631 0.846 25460 3237 1 8 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.312 -0.559 25460 3238 1 8 . 1 1 33 33 PRO C C 33 177.880 177.880 176.377 1.503 25460 3239 1 8 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.502 0.998 25460 3240 1 8 . 1 1 33 33 PRO CB C 33 31.770 31.770 32.025 -0.255 25460 3241 1 8 . 1 1 34 34 ALA N N 34 115.220 115.220 116.340 -1.120 25460 3242 1 8 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.313 -0.120 25460 3243 1 8 . 1 1 34 34 ALA C C 34 179.120 179.120 177.890 1.230 25460 3244 1 8 . 1 1 34 34 ALA CA C 34 54.610 54.610 52.709 1.901 25460 3245 1 8 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.341 0.089 25460 3246 1 8 . 1 1 34 34 ALA H H 34 8.193 8.193 7.560 0.633 25460 3247 1 8 . 1 1 35 35 THR N N 35 102.120 102.120 112.855 -10.735 25460 3248 1 8 . 1 1 35 35 THR HA H 35 4.597 4.597 4.443 0.154 25460 3249 1 8 . 1 1 35 35 THR C C 35 175.610 175.610 174.067 1.543 25460 3250 1 8 . 1 1 35 35 THR CA C 35 60.400 60.400 61.291 -0.891 25460 3251 1 8 . 1 1 35 35 THR CB C 35 70.550 70.550 69.732 0.818 25460 3252 1 8 . 1 1 35 35 THR H H 35 7.187 7.187 7.910 -0.723 25460 3253 1 8 . 1 1 36 36 ARG N N 36 122.520 122.520 121.904 0.616 25460 3254 1 8 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.801 -0.038 25460 3255 1 8 . 1 1 36 36 ARG C C 36 175.220 175.220 175.189 0.031 25460 3256 1 8 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.843 1.247 25460 3257 1 8 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.866 -0.986 25460 3258 1 8 . 1 1 36 36 ARG H H 36 7.918 7.918 7.546 0.372 25460 3259 1 8 . 1 1 37 37 VAL N N 37 122.110 122.110 123.925 -1.815 25460 3260 1 8 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.342 -0.001 25460 3261 1 8 . 1 1 37 37 VAL C C 37 175.690 175.690 174.993 0.697 25460 3262 1 8 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.775 0.555 25460 3263 1 8 . 1 1 37 37 VAL CB C 37 35.050 35.050 34.926 0.124 25460 3264 1 8 . 1 1 37 37 VAL H H 37 8.603 8.603 8.744 -0.141 25460 3265 1 8 . 1 1 38 38 LEU N N 38 130.470 130.470 128.963 1.507 25460 3266 1 8 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.041 -0.272 25460 3267 1 8 . 1 1 38 38 LEU C C 38 176.510 176.510 175.888 0.622 25460 3268 1 8 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.270 1.100 25460 3269 1 8 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.366 0.454 25460 3270 1 8 . 1 1 38 38 LEU H H 38 8.708 8.708 8.766 -0.058 25460 3271 1 8 . 1 1 39 39 LEU N N 39 126.440 126.440 129.155 -2.715 25460 3272 1 8 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.360 0.267 25460 3273 1 8 . 1 1 39 39 LEU C C 39 176.800 176.800 177.299 -0.499 25460 3274 1 8 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.132 -0.402 25460 3275 1 8 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.968 -0.638 25460 3276 1 8 . 1 1 39 39 LEU H H 39 9.254 9.254 8.998 0.256 25460 3277 1 8 . 1 1 40 40 MET N N 40 114.550 114.550 111.146 3.404 25460 3278 1 8 . 1 1 40 40 MET HA H 40 4.471 4.471 4.708 -0.237 25460 3279 1 8 . 1 1 40 40 MET C C 40 173.750 173.750 173.632 0.118 25460 3280 1 8 . 1 1 40 40 MET CA C 40 56.040 56.040 54.928 1.112 25460 3281 1 8 . 1 1 40 40 MET CB C 40 36.880 36.880 34.970 1.910 25460 3282 1 8 . 1 1 40 40 MET H H 40 7.054 7.054 7.547 -0.493 25460 3283 1 8 . 1 1 41 41 TYR N N 41 123.270 123.270 118.794 4.476 25460 3284 1 8 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.609 -0.796 25460 3285 1 8 . 1 1 41 41 TYR C C 41 175.680 175.680 176.328 -0.648 25460 3286 1 8 . 1 1 41 41 TYR CA C 41 57.940 57.940 56.822 1.118 25460 3287 1 8 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.705 -0.245 25460 3288 1 8 . 1 1 41 41 TYR H H 41 8.563 8.563 8.493 0.070 25460 3289 1 8 . 1 1 42 42 VAL N N 42 123.930 123.930 122.345 1.585 25460 3290 1 8 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.536 -0.127 25460 3291 1 8 . 1 1 42 42 VAL C C 42 175.600 175.600 174.924 0.676 25460 3292 1 8 . 1 1 42 42 VAL CA C 42 61.480 61.480 61.123 0.356 25460 3293 1 8 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.140 0.170 25460 3294 1 8 . 1 1 42 42 VAL H H 42 9.442 9.442 9.241 0.201 25460 3295 1 8 . 1 1 43 43 ARG N N 43 129.290 129.290 127.601 1.689 25460 3296 1 8 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.221 -0.297 25460 3297 1 8 . 1 1 43 43 ARG C C 43 177.010 177.010 176.481 0.529 25460 3298 1 8 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.350 1.410 25460 3299 1 8 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.365 -0.385 25460 3300 1 8 . 1 1 43 43 ARG H H 43 8.940 8.940 8.936 0.004 25460 3301 1 8 . 1 1 44 44 ILE N N 44 128.260 128.260 126.769 1.491 25460 3302 1 8 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.894 -0.208 25460 3303 1 8 . 1 1 44 44 ILE C C 44 177.020 177.020 176.865 0.155 25460 3304 1 8 . 1 1 44 44 ILE CA C 44 64.930 64.930 61.922 3.008 25460 3305 1 8 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.279 1.961 25460 3306 1 8 . 1 1 44 44 ILE H H 44 8.345 8.345 8.300 0.045 25460 3307 1 8 . 1 1 45 45 GLY N N 45 115.530 115.530 116.605 -1.075 25460 3308 1 8 . 1 1 45 45 GLY C C 45 174.860 174.860 173.778 1.082 25460 3309 1 8 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.896 -0.656 25460 3310 1 8 . 1 1 45 45 GLY H H 45 9.423 9.423 9.186 0.237 25460 3311 1 8 . 1 1 46 46 THR N N 46 111.410 111.410 113.908 -2.498 25460 3312 1 8 . 1 1 46 46 THR HA H 46 4.974 4.974 4.751 0.223 25460 3313 1 8 . 1 1 46 46 THR C C 46 172.310 172.310 173.851 -1.541 25460 3314 1 8 . 1 1 46 46 THR CA C 46 60.280 60.280 59.736 0.544 25460 3315 1 8 . 1 1 46 46 THR CB C 46 72.160 72.160 71.376 0.784 25460 3316 1 8 . 1 1 46 46 THR H H 46 7.925 7.925 7.903 0.022 25460 3317 1 8 . 1 1 47 47 THR N N 47 109.430 109.430 112.018 -2.588 25460 3318 1 8 . 1 1 47 47 THR HA H 47 5.383 5.383 5.305 0.078 25460 3319 1 8 . 1 1 47 47 THR C C 47 174.560 174.560 174.099 0.461 25460 3320 1 8 . 1 1 47 47 THR CA C 47 59.240 59.240 60.068 -0.828 25460 3321 1 8 . 1 1 47 47 THR CB C 47 71.840 71.840 70.837 1.003 25460 3322 1 8 . 1 1 47 47 THR H H 47 7.784 7.784 8.253 -0.469 25460 3323 1 8 . 1 1 48 48 ALA N N 48 122.630 122.630 124.775 -2.145 25460 3324 1 8 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.652 0.006 25460 3325 1 8 . 1 1 48 48 ALA C C 48 175.620 175.620 175.264 0.356 25460 3326 1 8 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.795 -0.195 25460 3327 1 8 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.362 2.048 25460 3328 1 8 . 1 1 48 48 ALA H H 48 8.681 8.681 8.880 -0.199 25460 3329 1 8 . 1 1 49 49 THR N N 49 116.020 116.020 118.427 -2.407 25460 3330 1 8 . 1 1 49 49 THR HA H 49 4.914 4.914 4.906 0.008 25460 3331 1 8 . 1 1 49 49 THR C C 49 174.400 174.400 173.999 0.401 25460 3332 1 8 . 1 1 49 49 THR CA C 49 62.320 62.320 62.071 0.249 25460 3333 1 8 . 1 1 49 49 THR CB C 49 69.260 69.260 69.204 0.056 25460 3334 1 8 . 1 1 49 49 THR H H 49 8.347 8.347 8.375 -0.028 25460 3335 1 8 . 1 1 50 50 ILE N N 50 126.050 126.050 128.444 -2.394 25460 3336 1 8 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.346 0.090 25460 3337 1 8 . 1 1 50 50 ILE C C 50 175.080 175.080 175.622 -0.542 25460 3338 1 8 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.812 0.698 25460 3339 1 8 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.283 1.387 25460 3340 1 8 . 1 1 50 50 ILE H H 50 9.199 9.199 9.102 0.097 25460 3341 1 8 . 1 1 51 51 THR N N 51 120.630 120.630 122.566 -1.936 25460 3342 1 8 . 1 1 51 51 THR HA H 51 5.312 5.312 5.518 -0.206 25460 3343 1 8 . 1 1 51 51 THR C C 51 174.250 174.250 173.246 1.004 25460 3344 1 8 . 1 1 51 51 THR CA C 51 61.030 61.030 61.094 -0.064 25460 3345 1 8 . 1 1 51 51 THR CB C 51 69.850 69.850 70.247 -0.397 25460 3346 1 8 . 1 1 51 51 THR H H 51 8.500 8.500 8.636 -0.136 25460 3347 1 8 . 1 1 52 52 ALA N N 52 127.710 127.710 127.803 -0.093 25460 3348 1 8 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.852 -0.141 25460 3349 1 8 . 1 1 52 52 ALA C C 52 176.530 176.530 176.756 -0.226 25460 3350 1 8 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.835 0.145 25460 3351 1 8 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.806 0.914 25460 3352 1 8 . 1 1 52 52 ALA H H 52 9.202 9.202 9.194 0.008 25460 3353 1 8 . 1 1 53 53 ARG N N 53 118.780 118.780 122.120 -3.340 25460 3354 1 8 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.986 -0.130 25460 3355 1 8 . 1 1 53 53 ARG C C 53 177.070 177.070 175.948 1.122 25460 3356 1 8 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.557 0.473 25460 3357 1 8 . 1 1 53 53 ARG CB C 53 27.040 27.040 28.039 -0.999 25460 3358 1 8 . 1 1 53 53 ARG H H 53 9.303 9.303 9.154 0.149 25460 3359 1 8 . 1 1 54 54 GLY N N 54 104.070 104.070 103.212 0.858 25460 3360 1 8 . 1 1 54 54 GLY C C 54 174.110 174.110 173.936 0.174 25460 3361 1 8 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.122 0.238 25460 3362 1 8 . 1 1 54 54 GLY H H 54 8.714 8.714 8.451 0.263 25460 3363 1 8 . 1 1 55 55 HIS N N 55 119.170 119.170 120.856 -1.686 25460 3364 1 8 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.455 0.321 25460 3365 1 8 . 1 1 55 55 HIS C C 55 172.310 172.310 173.568 -1.258 25460 3366 1 8 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.509 -1.479 25460 3367 1 8 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.726 1.374 25460 3368 1 8 . 1 1 55 55 HIS H H 55 8.227 8.227 8.126 0.101 25460 3369 1 8 . 1 1 56 56 GLU N N 56 119.640 119.640 123.583 -3.943 25460 3370 1 8 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.009 0.078 25460 3371 1 8 . 1 1 56 56 GLU C C 56 176.150 176.150 175.459 0.691 25460 3372 1 8 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.081 0.009 25460 3373 1 8 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.506 1.274 25460 3374 1 8 . 1 1 56 56 GLU H H 56 8.024 8.024 8.613 -0.589 25460 3375 1 8 . 1 1 57 57 PHE N N 57 121.660 121.660 126.007 -4.347 25460 3376 1 8 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.664 0.110 25460 3377 1 8 . 1 1 57 57 PHE C C 57 173.930 173.930 174.875 -0.945 25460 3378 1 8 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.720 -0.250 25460 3379 1 8 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.366 1.084 25460 3380 1 8 . 1 1 57 57 PHE H H 57 9.219 9.219 9.262 -0.043 25460 3381 1 8 . 1 1 58 58 GLU N N 58 125.630 125.630 127.052 -1.422 25460 3382 1 8 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.743 0.481 25460 3383 1 8 . 1 1 58 58 GLU C C 58 175.820 175.820 175.762 0.058 25460 3384 1 8 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.000 0.460 25460 3385 1 8 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.882 0.068 25460 3386 1 8 . 1 1 58 58 GLU H H 58 8.597 8.597 9.039 -0.442 25460 3387 1 8 . 1 1 59 59 VAL N N 59 120.690 120.690 122.034 -1.344 25460 3388 1 8 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.525 0.890 25460 3389 1 8 . 1 1 59 59 VAL C C 59 174.790 174.790 174.032 0.758 25460 3390 1 8 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.968 -1.418 25460 3391 1 8 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.226 -0.076 25460 3392 1 8 . 1 1 59 59 VAL H H 59 8.809 8.809 8.986 -0.177 25460 3393 1 8 . 1 1 60 60 GLU N N 60 118.570 118.570 126.401 -7.831 25460 3394 1 8 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.623 -0.006 25460 3395 1 8 . 1 1 60 60 GLU C C 60 176.050 176.050 175.565 0.485 25460 3396 1 8 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.539 -0.359 25460 3397 1 8 . 1 1 60 60 GLU CB C 60 32.050 32.050 31.578 0.472 25460 3398 1 8 . 1 1 60 60 GLU H H 60 8.024 8.024 8.416 -0.392 25460 3399 1 8 . 1 1 61 61 ALA N N 61 132.630 132.630 131.444 1.186 25460 3400 1 8 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.701 -0.002 25460 3401 1 8 . 1 1 61 61 ALA C C 61 176.260 176.260 176.907 -0.647 25460 3402 1 8 . 1 1 61 61 ALA CA C 61 50.520 50.520 50.970 -0.450 25460 3403 1 8 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.512 -0.802 25460 3404 1 8 . 1 1 61 61 ALA H H 61 8.230 8.230 8.827 -0.597 25460 3405 1 8 . 1 1 62 62 LYS N N 62 126.080 126.080 121.441 4.639 25460 3406 1 8 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.208 -0.210 25460 3407 1 8 . 1 1 62 62 LYS C C 62 177.030 177.030 176.340 0.690 25460 3408 1 8 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.266 2.324 25460 3409 1 8 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.801 1.739 25460 3410 1 8 . 1 1 62 62 LYS H H 62 9.070 9.070 8.007 1.063 25460 3411 1 8 . 1 1 63 63 ASP N N 63 110.550 110.550 118.915 -8.365 25460 3412 1 8 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.806 -0.420 25460 3413 1 8 . 1 1 63 63 ASP C C 63 175.810 175.810 175.914 -0.104 25460 3414 1 8 . 1 1 63 63 ASP CA C 63 53.150 53.150 53.178 -0.028 25460 3415 1 8 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.926 -2.676 25460 3416 1 8 . 1 1 63 63 ASP H H 63 7.507 7.507 7.724 -0.217 25460 3417 1 8 . 1 1 64 64 GLN N N 64 112.740 112.740 122.151 -9.411 25460 3418 1 8 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.168 -0.068 25460 3419 1 8 . 1 1 64 64 GLN C C 64 175.950 175.950 175.872 0.078 25460 3420 1 8 . 1 1 64 64 GLN CA C 64 57.690 57.690 56.955 0.736 25460 3421 1 8 . 1 1 64 64 GLN CB C 64 27.840 27.840 27.874 -0.034 25460 3422 1 8 . 1 1 64 64 GLN H H 64 8.410 8.410 8.756 -0.346 25460 3423 1 8 . 1 1 65 65 ASN N N 65 117.790 117.790 116.428 1.362 25460 3424 1 8 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.884 -0.305 25460 3425 1 8 . 1 1 65 65 ASN C C 65 177.250 177.250 174.804 2.446 25460 3426 1 8 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.312 1.808 25460 3427 1 8 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.952 -2.042 25460 3428 1 8 . 1 1 65 65 ASN H H 65 8.747 8.747 7.948 0.799 25460 3429 1 8 . 1 1 66 66 CYS N N 66 112.640 112.640 114.999 -2.359 25460 3430 1 8 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.099 0.326 25460 3431 1 8 . 1 1 66 66 CYS C C 66 174.970 174.970 174.365 0.605 25460 3432 1 8 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.884 -3.754 25460 3433 1 8 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.698 11.462 25460 3434 1 8 . 1 1 66 66 CYS H H 66 8.527 8.527 7.959 0.568 25460 3435 1 8 . 1 1 67 67 LYS N N 67 116.240 116.240 121.167 -4.927 25460 3436 1 8 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.359 -0.182 25460 3437 1 8 . 1 1 67 67 LYS C C 67 178.480 178.480 175.224 3.256 25460 3438 1 8 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.103 1.757 25460 3439 1 8 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.266 0.854 25460 3440 1 8 . 1 1 67 67 LYS H H 67 8.014 8.014 7.799 0.215 25460 3441 1 8 . 1 1 68 68 VAL N N 68 126.980 126.980 125.891 1.089 25460 3442 1 8 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.535 -0.860 25460 3443 1 8 . 1 1 68 68 VAL C C 68 174.460 174.460 174.536 -0.076 25460 3444 1 8 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.555 3.195 25460 3445 1 8 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.979 -2.819 25460 3446 1 8 . 1 1 68 68 VAL H H 68 8.967 8.967 7.737 1.230 25460 3447 1 8 . 1 1 69 69 ILE N N 69 132.540 132.540 129.767 2.773 25460 3448 1 8 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.596 -0.417 25460 3449 1 8 . 1 1 69 69 ILE C C 69 175.060 175.060 175.224 -0.164 25460 3450 1 8 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.567 0.993 25460 3451 1 8 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.650 0.840 25460 3452 1 8 . 1 1 69 69 ILE H H 69 8.689 8.689 7.892 0.797 25460 3453 1 8 . 1 1 70 70 LEU N N 70 125.290 125.290 128.268 -2.978 25460 3454 1 8 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.774 0.524 25460 3455 1 8 . 1 1 70 70 LEU C C 70 180.800 180.800 179.196 1.604 25460 3456 1 8 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.814 -1.624 25460 3457 1 8 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.802 -1.652 25460 3458 1 8 . 1 1 70 70 LEU H H 70 8.829 8.829 9.187 -0.358 25460 3459 1 8 . 1 1 71 71 THR N N 71 115.510 115.510 116.283 -0.773 25460 3460 1 8 . 1 1 71 71 THR HA H 71 4.094 4.094 4.104 -0.010 25460 3461 1 8 . 1 1 71 71 THR C C 71 176.240 176.240 175.696 0.544 25460 3462 1 8 . 1 1 71 71 THR CA C 71 63.950 63.950 65.384 -1.434 25460 3463 1 8 . 1 1 71 71 THR CB C 71 68.280 68.280 68.511 -0.231 25460 3464 1 8 . 1 1 71 71 THR H H 71 8.546 8.546 8.595 -0.049 25460 3465 1 8 . 1 1 72 72 ASN N N 72 117.010 117.010 118.447 -1.437 25460 3466 1 8 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.791 -0.227 25460 3467 1 8 . 1 1 72 72 ASN C C 72 177.340 177.340 175.693 1.647 25460 3468 1 8 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.395 -0.685 25460 3469 1 8 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.935 -1.715 25460 3470 1 8 . 1 1 72 72 ASN H H 72 8.162 8.162 8.129 0.033 25460 3471 1 8 . 1 1 73 73 GLY N N 73 106.660 106.660 108.434 -1.774 25460 3472 1 8 . 1 1 73 73 GLY C C 73 175.020 175.020 173.813 1.207 25460 3473 1 8 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.238 0.462 25460 3474 1 8 . 1 1 73 73 GLY H H 73 7.985 7.985 8.064 -0.079 25460 3475 1 8 . 1 1 74 74 LYS N N 74 120.730 120.730 120.068 0.662 25460 3476 1 8 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.475 -0.177 25460 3477 1 8 . 1 1 74 74 LYS C C 74 175.720 175.720 176.509 -0.789 25460 3478 1 8 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.859 0.870 25460 3479 1 8 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.085 -0.595 25460 3480 1 8 . 1 1 74 74 LYS H H 74 7.820 7.820 7.600 0.220 25460 3481 1 8 . 1 1 75 75 GLN N N 75 119.590 119.590 121.699 -2.109 25460 3482 1 8 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.328 -0.172 25460 3483 1 8 . 1 1 75 75 GLN C C 75 176.490 176.490 174.910 1.580 25460 3484 1 8 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.166 0.414 25460 3485 1 8 . 1 1 75 75 GLN CB C 75 29.020 29.020 28.790 0.230 25460 3486 1 8 . 1 1 75 75 GLN H H 75 8.273 8.273 8.760 -0.487 25460 3487 1 8 . 1 1 76 76 ALA N N 76 129.340 129.340 120.937 8.403 25460 3488 1 8 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.014 0.152 25460 3489 1 8 . 1 1 76 76 ALA C C 76 174.920 174.920 174.422 0.498 25460 3490 1 8 . 1 1 76 76 ALA CA C 76 50.080 50.080 51.626 -1.546 25460 3491 1 8 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.800 0.080 25460 3492 1 8 . 1 1 76 76 ALA H H 76 8.698 8.698 7.539 1.159 25460 3493 1 8 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.134 0.103 25460 3494 1 8 . 1 1 77 77 PRO C C 77 178.170 178.170 176.661 1.509 25460 3495 1 8 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.871 0.299 25460 3496 1 8 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.104 0.366 25460 3497 1 8 . 1 1 78 78 ASP N N 78 121.040 121.040 121.064 -0.024 25460 3498 1 8 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.316 -0.099 25460 3499 1 8 . 1 1 78 78 ASP C C 78 176.610 176.610 177.265 -0.655 25460 3500 1 8 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.922 -0.422 25460 3501 1 8 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.588 -0.058 25460 3502 1 8 . 1 1 78 78 ASP H H 78 8.607 8.607 8.552 0.055 25460 3503 1 8 . 1 1 79 79 TRP N N 79 114.440 114.440 114.681 -0.241 25460 3504 1 8 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.633 -0.141 25460 3505 1 8 . 1 1 79 79 TRP C C 79 175.280 175.280 175.133 0.147 25460 3506 1 8 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.774 -1.144 25460 3507 1 8 . 1 1 79 79 TRP CB C 79 29.140 29.140 28.965 0.175 25460 3508 1 8 . 1 1 79 79 TRP H H 79 6.768 6.768 7.551 -0.783 25460 3509 1 8 . 1 1 80 80 LEU N N 80 123.450 123.450 124.376 -0.926 25460 3510 1 8 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.898 -0.137 25460 3511 1 8 . 1 1 80 80 LEU C C 80 174.270 174.270 175.636 -1.366 25460 3512 1 8 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.692 1.158 25460 3513 1 8 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.250 0.640 25460 3514 1 8 . 1 1 80 80 LEU H H 80 6.577 6.577 6.835 -0.258 25460 3515 1 8 . 1 1 81 81 ALA N N 81 130.910 130.910 130.254 0.656 25460 3516 1 8 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.705 -0.038 25460 3517 1 8 . 1 1 81 81 ALA C C 81 175.210 175.210 175.440 -0.230 25460 3518 1 8 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.790 -0.480 25460 3519 1 8 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.163 1.107 25460 3520 1 8 . 1 1 81 81 ALA H H 81 9.037 9.037 8.973 0.064 25460 3521 1 8 . 1 1 82 82 ALA N N 82 119.120 119.120 125.021 -5.901 25460 3522 1 8 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.469 0.208 25460 3523 1 8 . 1 1 82 82 ALA C C 82 177.280 177.280 176.271 1.009 25460 3524 1 8 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.792 0.218 25460 3525 1 8 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.948 0.292 25460 3526 1 8 . 1 1 82 82 ALA H H 82 8.159 8.159 8.359 -0.200 25460 3527 1 8 . 1 1 83 83 GLU N N 83 116.910 116.910 120.808 -3.898 25460 3528 1 8 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.858 0.080 25460 3529 1 8 . 1 1 83 83 GLU C C 83 172.560 172.560 173.961 -1.401 25460 3530 1 8 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.708 0.302 25460 3531 1 8 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.445 1.025 25460 3532 1 8 . 1 1 83 83 GLU H H 83 8.614 8.614 8.567 0.047 25460 3533 1 8 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.588 0.925 25460 3534 1 8 . 1 1 84 84 PRO C C 84 177.340 177.340 175.731 1.609 25460 3535 1 8 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.432 -0.502 25460 3536 1 8 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.092 0.328 25460 3537 1 9 . 1 1 8 8 GLY N N 8 110.720 110.720 110.573 0.147 25460 3538 1 9 . 1 1 8 8 GLY C C 8 174.650 174.650 174.594 0.056 25460 3539 1 9 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.865 0.605 25460 3540 1 9 . 1 1 8 8 GLY H H 8 8.462 8.462 8.161 0.301 25460 3541 1 9 . 1 1 9 9 ARG N N 9 120.430 120.430 121.755 -1.325 25460 3542 1 9 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.377 -0.059 25460 3543 1 9 . 1 1 9 9 ARG C C 9 176.790 176.790 175.292 1.498 25460 3544 1 9 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.346 0.994 25460 3545 1 9 . 1 1 9 9 ARG CB C 9 30.530 30.530 29.400 1.130 25460 3546 1 9 . 1 1 9 9 ARG H H 9 8.206 8.206 8.041 0.165 25460 3547 1 9 . 1 1 10 10 GLU N N 10 121.220 121.220 121.090 0.130 25460 3548 1 9 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.010 0.200 25460 3549 1 9 . 1 1 10 10 GLU C C 10 176.600 176.600 175.721 0.879 25460 3550 1 9 . 1 1 10 10 GLU CA C 10 57.270 57.270 57.158 0.112 25460 3551 1 9 . 1 1 10 10 GLU CB C 10 29.780 29.780 28.552 1.228 25460 3552 1 9 . 1 1 10 10 GLU H H 10 8.562 8.562 8.339 0.223 25460 3553 1 9 . 1 1 11 11 ASN N N 11 118.900 118.900 118.012 0.888 25460 3554 1 9 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.675 -0.005 25460 3555 1 9 . 1 1 11 11 ASN C C 11 175.420 175.420 174.185 1.235 25460 3556 1 9 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.640 0.810 25460 3557 1 9 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.369 -0.659 25460 3558 1 9 . 1 1 11 11 ASN H H 11 8.337 8.337 8.374 -0.037 25460 3559 1 9 . 1 1 12 12 LEU N N 12 121.830 121.830 121.890 -0.060 25460 3560 1 9 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.483 -0.291 25460 3561 1 9 . 1 1 12 12 LEU C C 12 177.290 177.290 176.036 1.254 25460 3562 1 9 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.362 1.268 25460 3563 1 9 . 1 1 12 12 LEU CB C 12 42.260 42.260 42.220 0.040 25460 3564 1 9 . 1 1 12 12 LEU H H 12 7.988 7.988 7.516 0.472 25460 3565 1 9 . 1 1 13 13 TYR N N 13 119.550 119.550 125.126 -5.576 25460 3566 1 9 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.603 -0.105 25460 3567 1 9 . 1 1 13 13 TYR C C 13 175.950 175.950 175.474 0.476 25460 3568 1 9 . 1 1 13 13 TYR CA C 13 57.930 57.930 58.718 -0.788 25460 3569 1 9 . 1 1 13 13 TYR CB C 13 38.590 38.590 37.718 0.872 25460 3570 1 9 . 1 1 13 13 TYR H H 13 7.966 7.966 8.833 -0.867 25460 3571 1 9 . 1 1 14 14 PHE N N 14 121.130 121.130 122.877 -1.747 25460 3572 1 9 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.775 -0.251 25460 3573 1 9 . 1 1 14 14 PHE C C 14 175.820 175.820 174.493 1.327 25460 3574 1 9 . 1 1 14 14 PHE CA C 14 57.950 57.950 57.319 0.631 25460 3575 1 9 . 1 1 14 14 PHE CB C 14 39.510 39.510 41.943 -2.433 25460 3576 1 9 . 1 1 14 14 PHE H H 14 8.006 8.006 8.109 -0.103 25460 3577 1 9 . 1 1 15 15 GLN N N 15 121.840 121.840 126.045 -4.205 25460 3578 1 9 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.347 -0.162 25460 3579 1 9 . 1 1 15 15 GLN C C 15 176.420 176.420 175.498 0.922 25460 3580 1 9 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.494 0.686 25460 3581 1 9 . 1 1 15 15 GLN CB C 15 29.110 29.110 27.838 1.272 25460 3582 1 9 . 1 1 15 15 GLN H H 15 8.217 8.217 8.113 0.104 25460 3583 1 9 . 1 1 16 16 GLY N N 16 108.430 108.430 114.406 -5.976 25460 3584 1 9 . 1 1 16 16 GLY C C 16 174.140 174.140 173.242 0.898 25460 3585 1 9 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.816 0.494 25460 3586 1 9 . 1 1 16 16 GLY H H 16 7.907 7.907 8.150 -0.243 25460 3587 1 9 . 1 1 17 17 HIS N N 17 117.990 117.990 119.285 -1.295 25460 3588 1 9 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.771 -0.894 25460 3589 1 9 . 1 1 17 17 HIS C C 17 174.610 174.610 173.870 0.740 25460 3590 1 9 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.717 -0.287 25460 3591 1 9 . 1 1 17 17 HIS CB C 17 29.280 29.280 31.323 -2.043 25460 3592 1 9 . 1 1 17 17 HIS H H 17 8.250 8.250 8.548 -0.298 25460 3593 1 9 . 1 1 18 18 MET N N 18 121.430 121.430 125.293 -3.863 25460 3594 1 9 . 1 1 18 18 MET HA H 18 4.395 4.395 4.814 -0.419 25460 3595 1 9 . 1 1 18 18 MET C C 18 175.750 175.750 174.669 1.081 25460 3596 1 9 . 1 1 18 18 MET CA C 18 55.660 55.660 55.000 0.660 25460 3597 1 9 . 1 1 18 18 MET CB C 18 32.740 32.740 34.336 -1.596 25460 3598 1 9 . 1 1 18 18 MET H H 18 8.320 8.320 8.277 0.043 25460 3599 1 9 . 1 1 19 19 ALA N N 19 125.550 125.550 128.926 -3.376 25460 3600 1 9 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.270 0.002 25460 3601 1 9 . 1 1 19 19 ALA C C 19 176.950 176.950 176.293 0.657 25460 3602 1 9 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.866 0.394 25460 3603 1 9 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.575 0.555 25460 3604 1 9 . 1 1 19 19 ALA H H 19 8.262 8.262 8.739 -0.477 25460 3605 1 9 . 1 1 20 20 ALA N N 20 124.430 124.430 119.372 5.058 25460 3606 1 9 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.049 0.487 25460 3607 1 9 . 1 1 20 20 ALA C C 20 175.390 175.390 175.435 -0.045 25460 3608 1 9 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.390 -1.290 25460 3609 1 9 . 1 1 20 20 ALA CB C 20 18.420 18.420 16.790 1.630 25460 3610 1 9 . 1 1 20 20 ALA H H 20 8.083 8.083 8.154 -0.071 25460 3611 1 9 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.277 0.173 25460 3612 1 9 . 1 1 21 21 PRO C C 21 175.770 175.770 176.692 -0.922 25460 3613 1 9 . 1 1 21 21 PRO CA C 21 55.520 55.520 64.441 -8.921 25460 3614 1 9 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.110 0.850 25460 3615 1 9 . 1 1 22 22 ALA N N 22 124.420 124.420 120.396 4.024 25460 3616 1 9 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.283 0.050 25460 3617 1 9 . 1 1 22 22 ALA C C 22 176.920 176.920 177.118 -0.198 25460 3618 1 9 . 1 1 22 22 ALA CA C 22 52.350 52.350 52.324 0.026 25460 3619 1 9 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.153 0.037 25460 3620 1 9 . 1 1 22 22 ALA H H 22 8.235 8.235 8.260 -0.025 25460 3621 1 9 . 1 1 23 23 ARG N N 23 120.140 120.140 121.630 -1.490 25460 3622 1 9 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.512 -0.169 25460 3623 1 9 . 1 1 23 23 ARG C C 23 176.220 176.220 174.831 1.389 25460 3624 1 9 . 1 1 23 23 ARG CA C 23 57.000 57.000 55.793 1.207 25460 3625 1 9 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.505 1.985 25460 3626 1 9 . 1 1 23 23 ARG H H 23 9.271 9.271 8.681 0.590 25460 3627 1 9 . 1 1 24 24 PHE N N 24 119.130 119.130 117.981 1.149 25460 3628 1 9 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.646 -0.264 25460 3629 1 9 . 1 1 24 24 PHE C C 24 175.910 175.910 174.229 1.681 25460 3630 1 9 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.372 0.478 25460 3631 1 9 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.805 -0.245 25460 3632 1 9 . 1 1 24 24 PHE H H 24 9.270 9.270 7.841 1.429 25460 3633 1 9 . 1 1 25 25 CYS N N 25 116.300 116.300 119.075 -2.775 25460 3634 1 9 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.359 -0.040 25460 3635 1 9 . 1 1 25 25 CYS C C 25 172.990 172.990 173.863 -0.873 25460 3636 1 9 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.694 -3.494 25460 3637 1 9 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.504 9.236 25460 3638 1 9 . 1 1 25 25 CYS H H 25 9.254 9.254 9.335 -0.081 25460 3639 1 9 . 1 1 26 26 VAL N N 26 126.290 126.290 121.625 4.665 25460 3640 1 9 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.510 -0.128 25460 3641 1 9 . 1 1 26 26 VAL C C 26 174.520 174.520 174.849 -0.329 25460 3642 1 9 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.941 -0.201 25460 3643 1 9 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.813 -0.433 25460 3644 1 9 . 1 1 26 26 VAL H H 26 9.512 9.512 9.101 0.411 25460 3645 1 9 . 1 1 27 27 TYR N N 27 123.620 123.620 126.304 -2.684 25460 3646 1 9 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.467 -0.323 25460 3647 1 9 . 1 1 27 27 TYR C C 27 175.400 175.400 175.244 0.156 25460 3648 1 9 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.930 1.170 25460 3649 1 9 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.160 0.700 25460 3650 1 9 . 1 1 27 27 TYR H H 27 8.240 8.240 9.084 -0.844 25460 3651 1 9 . 1 1 28 28 TYR N N 28 119.740 119.740 120.261 -0.521 25460 3652 1 9 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.295 -0.022 25460 3653 1 9 . 1 1 28 28 TYR C C 28 174.590 174.590 174.551 0.039 25460 3654 1 9 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.269 0.631 25460 3655 1 9 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.977 1.113 25460 3656 1 9 . 1 1 28 28 TYR H H 28 9.448 9.448 9.306 0.142 25460 3657 1 9 . 1 1 29 29 ASP N N 29 118.650 118.650 122.648 -3.998 25460 3658 1 9 . 1 1 29 29 ASP HA H 29 5.255 5.255 4.998 0.257 25460 3659 1 9 . 1 1 29 29 ASP C C 29 177.670 177.670 176.019 1.651 25460 3660 1 9 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.140 -1.340 25460 3661 1 9 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.818 -0.468 25460 3662 1 9 . 1 1 29 29 ASP H H 29 8.995 8.995 9.070 -0.075 25460 3663 1 9 . 1 1 30 30 GLY N N 30 114.740 114.740 114.149 0.591 25460 3664 1 9 . 1 1 30 30 GLY C C 30 173.320 173.320 172.492 0.828 25460 3665 1 9 . 1 1 30 30 GLY CA C 30 44.110 44.110 44.993 -0.883 25460 3666 1 9 . 1 1 30 30 GLY H H 30 9.046 9.046 8.922 0.124 25460 3667 1 9 . 1 1 31 31 HIS N N 31 113.880 113.880 116.985 -3.105 25460 3668 1 9 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.659 -0.166 25460 3669 1 9 . 1 1 31 31 HIS C C 31 175.230 175.230 174.299 0.931 25460 3670 1 9 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.407 0.573 25460 3671 1 9 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.108 0.522 25460 3672 1 9 . 1 1 31 31 HIS H H 31 8.306 8.306 8.539 -0.233 25460 3673 1 9 . 1 1 32 32 LEU N N 32 124.060 124.060 123.041 1.019 25460 3674 1 9 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.694 0.130 25460 3675 1 9 . 1 1 32 32 LEU C C 32 176.030 176.030 175.627 0.403 25460 3676 1 9 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.428 1.652 25460 3677 1 9 . 1 1 32 32 LEU CB C 32 41.540 41.540 44.242 -2.702 25460 3678 1 9 . 1 1 32 32 LEU H H 32 8.477 8.477 7.549 0.928 25460 3679 1 9 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.181 -0.428 25460 3680 1 9 . 1 1 33 33 PRO C C 33 177.880 177.880 177.853 0.027 25460 3681 1 9 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.794 0.705 25460 3682 1 9 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.619 0.151 25460 3683 1 9 . 1 1 34 34 ALA N N 34 115.220 115.220 119.810 -4.590 25460 3684 1 9 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.268 -0.075 25460 3685 1 9 . 1 1 34 34 ALA C C 34 179.120 179.120 179.109 0.011 25460 3686 1 9 . 1 1 34 34 ALA CA C 34 54.610 54.610 54.225 0.385 25460 3687 1 9 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.745 0.685 25460 3688 1 9 . 1 1 34 34 ALA H H 34 8.193 8.193 8.173 0.020 25460 3689 1 9 . 1 1 35 35 THR N N 35 102.120 102.120 112.031 -9.911 25460 3690 1 9 . 1 1 35 35 THR HA H 35 4.597 4.597 4.452 0.145 25460 3691 1 9 . 1 1 35 35 THR C C 35 175.610 175.610 173.451 2.159 25460 3692 1 9 . 1 1 35 35 THR CA C 35 60.400 60.400 60.697 -0.297 25460 3693 1 9 . 1 1 35 35 THR CB C 35 70.550 70.550 69.165 1.385 25460 3694 1 9 . 1 1 35 35 THR H H 35 7.187 7.187 7.645 -0.458 25460 3695 1 9 . 1 1 36 36 ARG N N 36 122.520 122.520 122.472 0.048 25460 3696 1 9 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.761 0.002 25460 3697 1 9 . 1 1 36 36 ARG C C 36 175.220 175.220 175.430 -0.210 25460 3698 1 9 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.598 1.492 25460 3699 1 9 . 1 1 36 36 ARG CB C 36 29.880 29.880 29.812 0.068 25460 3700 1 9 . 1 1 36 36 ARG H H 36 7.918 7.918 7.558 0.360 25460 3701 1 9 . 1 1 37 37 VAL N N 37 122.110 122.110 126.251 -4.141 25460 3702 1 9 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.307 0.034 25460 3703 1 9 . 1 1 37 37 VAL C C 37 175.690 175.690 175.171 0.519 25460 3704 1 9 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.565 0.765 25460 3705 1 9 . 1 1 37 37 VAL CB C 37 35.050 35.050 32.854 2.196 25460 3706 1 9 . 1 1 37 37 VAL H H 37 8.603 8.603 8.922 -0.319 25460 3707 1 9 . 1 1 38 38 LEU N N 38 130.470 130.470 130.118 0.352 25460 3708 1 9 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.030 -0.261 25460 3709 1 9 . 1 1 38 38 LEU C C 38 176.510 176.510 175.924 0.586 25460 3710 1 9 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.234 1.136 25460 3711 1 9 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.250 0.570 25460 3712 1 9 . 1 1 38 38 LEU H H 38 8.708 8.708 8.906 -0.198 25460 3713 1 9 . 1 1 39 39 LEU N N 39 126.440 126.440 129.143 -2.703 25460 3714 1 9 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.339 0.288 25460 3715 1 9 . 1 1 39 39 LEU C C 39 176.800 176.800 177.161 -0.361 25460 3716 1 9 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.035 -0.305 25460 3717 1 9 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.002 -0.672 25460 3718 1 9 . 1 1 39 39 LEU H H 39 9.254 9.254 8.959 0.295 25460 3719 1 9 . 1 1 40 40 MET N N 40 114.550 114.550 111.192 3.358 25460 3720 1 9 . 1 1 40 40 MET HA H 40 4.471 4.471 4.597 -0.126 25460 3721 1 9 . 1 1 40 40 MET C C 40 173.750 173.750 173.502 0.248 25460 3722 1 9 . 1 1 40 40 MET CA C 40 56.040 56.040 54.762 1.278 25460 3723 1 9 . 1 1 40 40 MET CB C 40 36.880 36.880 35.127 1.753 25460 3724 1 9 . 1 1 40 40 MET H H 40 7.054 7.054 7.490 -0.436 25460 3725 1 9 . 1 1 41 41 TYR N N 41 123.270 123.270 118.608 4.662 25460 3726 1 9 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.744 -0.931 25460 3727 1 9 . 1 1 41 41 TYR C C 41 175.680 175.680 176.359 -0.679 25460 3728 1 9 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.031 0.909 25460 3729 1 9 . 1 1 41 41 TYR CB C 41 39.460 39.460 40.296 -0.836 25460 3730 1 9 . 1 1 41 41 TYR H H 41 8.563 8.563 8.400 0.163 25460 3731 1 9 . 1 1 42 42 VAL N N 42 123.930 123.930 121.348 2.582 25460 3732 1 9 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.448 -0.039 25460 3733 1 9 . 1 1 42 42 VAL C C 42 175.600 175.600 174.404 1.196 25460 3734 1 9 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.929 0.551 25460 3735 1 9 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.879 -0.569 25460 3736 1 9 . 1 1 42 42 VAL H H 42 9.442 9.442 9.358 0.084 25460 3737 1 9 . 1 1 43 43 ARG N N 43 129.290 129.290 126.500 2.790 25460 3738 1 9 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.436 -0.512 25460 3739 1 9 . 1 1 43 43 ARG C C 43 177.010 177.010 176.179 0.831 25460 3740 1 9 . 1 1 43 43 ARG CA C 43 56.760 56.760 54.522 2.238 25460 3741 1 9 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.652 -0.672 25460 3742 1 9 . 1 1 43 43 ARG H H 43 8.940 8.940 8.717 0.223 25460 3743 1 9 . 1 1 44 44 ILE N N 44 128.260 128.260 127.279 0.981 25460 3744 1 9 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.662 0.024 25460 3745 1 9 . 1 1 44 44 ILE C C 44 177.020 177.020 176.615 0.405 25460 3746 1 9 . 1 1 44 44 ILE CA C 44 64.930 64.930 63.540 1.390 25460 3747 1 9 . 1 1 44 44 ILE CB C 44 37.240 37.240 37.264 -0.024 25460 3748 1 9 . 1 1 44 44 ILE H H 44 8.345 8.345 8.521 -0.176 25460 3749 1 9 . 1 1 45 45 GLY N N 45 115.530 115.530 116.107 -0.577 25460 3750 1 9 . 1 1 45 45 GLY C C 45 174.860 174.860 173.895 0.965 25460 3751 1 9 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.721 -0.481 25460 3752 1 9 . 1 1 45 45 GLY H H 45 9.423 9.423 8.779 0.644 25460 3753 1 9 . 1 1 46 46 THR N N 46 111.410 111.410 113.645 -2.235 25460 3754 1 9 . 1 1 46 46 THR HA H 46 4.974 4.974 4.758 0.216 25460 3755 1 9 . 1 1 46 46 THR C C 46 172.310 172.310 173.575 -1.265 25460 3756 1 9 . 1 1 46 46 THR CA C 46 60.280 60.280 59.546 0.734 25460 3757 1 9 . 1 1 46 46 THR CB C 46 72.160 72.160 71.482 0.678 25460 3758 1 9 . 1 1 46 46 THR H H 46 7.925 7.925 7.874 0.051 25460 3759 1 9 . 1 1 47 47 THR N N 47 109.430 109.430 112.414 -2.984 25460 3760 1 9 . 1 1 47 47 THR HA H 47 5.383 5.383 5.150 0.233 25460 3761 1 9 . 1 1 47 47 THR C C 47 174.560 174.560 174.042 0.518 25460 3762 1 9 . 1 1 47 47 THR CA C 47 59.240 59.240 60.179 -0.939 25460 3763 1 9 . 1 1 47 47 THR CB C 47 71.840 71.840 70.740 1.100 25460 3764 1 9 . 1 1 47 47 THR H H 47 7.784 7.784 8.281 -0.497 25460 3765 1 9 . 1 1 48 48 ALA N N 48 122.630 122.630 124.713 -2.083 25460 3766 1 9 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.614 0.044 25460 3767 1 9 . 1 1 48 48 ALA C C 48 175.620 175.620 175.316 0.304 25460 3768 1 9 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.788 -0.188 25460 3769 1 9 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.178 2.232 25460 3770 1 9 . 1 1 48 48 ALA H H 48 8.681 8.681 8.903 -0.222 25460 3771 1 9 . 1 1 49 49 THR N N 49 116.020 116.020 119.416 -3.396 25460 3772 1 9 . 1 1 49 49 THR HA H 49 4.914 4.914 4.930 -0.016 25460 3773 1 9 . 1 1 49 49 THR C C 49 174.400 174.400 173.978 0.422 25460 3774 1 9 . 1 1 49 49 THR CA C 49 62.320 62.320 62.088 0.232 25460 3775 1 9 . 1 1 49 49 THR CB C 49 69.260 69.260 69.153 0.106 25460 3776 1 9 . 1 1 49 49 THR H H 49 8.347 8.347 8.370 -0.023 25460 3777 1 9 . 1 1 50 50 ILE N N 50 126.050 126.050 128.886 -2.836 25460 3778 1 9 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.263 0.173 25460 3779 1 9 . 1 1 50 50 ILE C C 50 175.080 175.080 175.584 -0.504 25460 3780 1 9 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.541 0.969 25460 3781 1 9 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.979 1.691 25460 3782 1 9 . 1 1 50 50 ILE H H 50 9.199 9.199 9.099 0.100 25460 3783 1 9 . 1 1 51 51 THR N N 51 120.630 120.630 122.318 -1.688 25460 3784 1 9 . 1 1 51 51 THR HA H 51 5.312 5.312 5.663 -0.351 25460 3785 1 9 . 1 1 51 51 THR C C 51 174.250 174.250 173.338 0.912 25460 3786 1 9 . 1 1 51 51 THR CA C 51 61.030 61.030 61.168 -0.138 25460 3787 1 9 . 1 1 51 51 THR CB C 51 69.850 69.850 70.186 -0.336 25460 3788 1 9 . 1 1 51 51 THR H H 51 8.500 8.500 8.531 -0.031 25460 3789 1 9 . 1 1 52 52 ALA N N 52 127.710 127.710 127.446 0.264 25460 3790 1 9 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.914 -0.203 25460 3791 1 9 . 1 1 52 52 ALA C C 52 176.530 176.530 176.947 -0.417 25460 3792 1 9 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.683 0.297 25460 3793 1 9 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.931 0.789 25460 3794 1 9 . 1 1 52 52 ALA H H 52 9.202 9.202 9.248 -0.046 25460 3795 1 9 . 1 1 53 53 ARG N N 53 118.780 118.780 122.359 -3.579 25460 3796 1 9 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.989 -0.133 25460 3797 1 9 . 1 1 53 53 ARG C C 53 177.070 177.070 175.931 1.139 25460 3798 1 9 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.669 0.361 25460 3799 1 9 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.923 -0.883 25460 3800 1 9 . 1 1 53 53 ARG H H 53 9.303 9.303 9.224 0.079 25460 3801 1 9 . 1 1 54 54 GLY N N 54 104.070 104.070 103.267 0.803 25460 3802 1 9 . 1 1 54 54 GLY C C 54 174.110 174.110 173.873 0.237 25460 3803 1 9 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.099 0.261 25460 3804 1 9 . 1 1 54 54 GLY H H 54 8.714 8.714 8.494 0.220 25460 3805 1 9 . 1 1 55 55 HIS N N 55 119.170 119.170 120.466 -1.296 25460 3806 1 9 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.532 0.244 25460 3807 1 9 . 1 1 55 55 HIS C C 55 172.310 172.310 173.738 -1.428 25460 3808 1 9 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.094 -1.064 25460 3809 1 9 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.087 1.014 25460 3810 1 9 . 1 1 55 55 HIS H H 55 8.227 8.227 8.296 -0.069 25460 3811 1 9 . 1 1 56 56 GLU N N 56 119.640 119.640 122.745 -3.105 25460 3812 1 9 . 1 1 56 56 GLU HA H 56 5.087 5.087 4.976 0.111 25460 3813 1 9 . 1 1 56 56 GLU C C 56 176.150 176.150 175.604 0.546 25460 3814 1 9 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.721 -0.631 25460 3815 1 9 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.493 1.287 25460 3816 1 9 . 1 1 56 56 GLU H H 56 8.024 8.024 8.629 -0.605 25460 3817 1 9 . 1 1 57 57 PHE N N 57 121.660 121.660 124.395 -2.735 25460 3818 1 9 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.733 0.041 25460 3819 1 9 . 1 1 57 57 PHE C C 57 173.930 173.930 174.761 -0.831 25460 3820 1 9 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.809 -0.339 25460 3821 1 9 . 1 1 57 57 PHE CB C 57 41.450 41.450 41.290 0.160 25460 3822 1 9 . 1 1 57 57 PHE H H 57 9.219 9.219 9.303 -0.084 25460 3823 1 9 . 1 1 58 58 GLU N N 58 125.630 125.630 126.672 -1.042 25460 3824 1 9 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.651 0.573 25460 3825 1 9 . 1 1 58 58 GLU C C 58 175.820 175.820 175.708 0.112 25460 3826 1 9 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.702 -0.242 25460 3827 1 9 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.881 0.069 25460 3828 1 9 . 1 1 58 58 GLU H H 58 8.597 8.597 8.983 -0.386 25460 3829 1 9 . 1 1 59 59 VAL N N 59 120.690 120.690 122.757 -2.067 25460 3830 1 9 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.563 0.852 25460 3831 1 9 . 1 1 59 59 VAL C C 59 174.790 174.790 174.253 0.537 25460 3832 1 9 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.574 -1.024 25460 3833 1 9 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.685 -0.535 25460 3834 1 9 . 1 1 59 59 VAL H H 59 8.809 8.809 8.902 -0.093 25460 3835 1 9 . 1 1 60 60 GLU N N 60 118.570 118.570 121.731 -3.161 25460 3836 1 9 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.786 -0.169 25460 3837 1 9 . 1 1 60 60 GLU C C 60 176.050 176.050 175.372 0.678 25460 3838 1 9 . 1 1 60 60 GLU CA C 60 54.180 54.180 53.781 0.399 25460 3839 1 9 . 1 1 60 60 GLU CB C 60 32.050 32.050 31.125 0.925 25460 3840 1 9 . 1 1 60 60 GLU H H 60 8.024 8.024 9.000 -0.976 25460 3841 1 9 . 1 1 61 61 ALA N N 61 132.630 132.630 129.564 3.066 25460 3842 1 9 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.433 0.266 25460 3843 1 9 . 1 1 61 61 ALA C C 61 176.260 176.260 177.173 -0.913 25460 3844 1 9 . 1 1 61 61 ALA CA C 61 50.520 50.520 52.061 -1.541 25460 3845 1 9 . 1 1 61 61 ALA CB C 61 17.710 17.710 19.666 -1.956 25460 3846 1 9 . 1 1 61 61 ALA H H 61 8.230 8.230 8.649 -0.419 25460 3847 1 9 . 1 1 62 62 LYS N N 62 126.080 126.080 124.437 1.643 25460 3848 1 9 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.507 -0.509 25460 3849 1 9 . 1 1 62 62 LYS C C 62 177.030 177.030 176.607 0.423 25460 3850 1 9 . 1 1 62 62 LYS CA C 62 59.590 59.590 56.937 2.653 25460 3851 1 9 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.337 1.203 25460 3852 1 9 . 1 1 62 62 LYS H H 62 9.070 9.070 8.322 0.748 25460 3853 1 9 . 1 1 63 63 ASP N N 63 110.550 110.550 119.021 -8.471 25460 3854 1 9 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.834 -0.448 25460 3855 1 9 . 1 1 63 63 ASP C C 63 175.810 175.810 176.810 -1.000 25460 3856 1 9 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.478 0.672 25460 3857 1 9 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.684 -2.434 25460 3858 1 9 . 1 1 63 63 ASP H H 63 7.507 7.507 8.101 -0.594 25460 3859 1 9 . 1 1 64 64 GLN N N 64 112.740 112.740 121.674 -8.934 25460 3860 1 9 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.125 -0.025 25460 3861 1 9 . 1 1 64 64 GLN C C 64 175.950 175.950 175.882 0.068 25460 3862 1 9 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.688 0.002 25460 3863 1 9 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.268 -0.428 25460 3864 1 9 . 1 1 64 64 GLN H H 64 8.410 8.410 8.710 -0.300 25460 3865 1 9 . 1 1 65 65 ASN N N 65 117.790 117.790 115.990 1.800 25460 3866 1 9 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.930 -0.351 25460 3867 1 9 . 1 1 65 65 ASN C C 65 177.250 177.250 174.520 2.730 25460 3868 1 9 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.446 1.674 25460 3869 1 9 . 1 1 65 65 ASN CB C 65 37.910 37.910 40.009 -2.099 25460 3870 1 9 . 1 1 65 65 ASN H H 65 8.747 8.747 8.083 0.664 25460 3871 1 9 . 1 1 66 66 CYS N N 66 112.640 112.640 116.068 -3.428 25460 3872 1 9 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.172 0.253 25460 3873 1 9 . 1 1 66 66 CYS C C 66 174.970 174.970 174.114 0.856 25460 3874 1 9 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.246 -4.116 25460 3875 1 9 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.825 11.335 25460 3876 1 9 . 1 1 66 66 CYS H H 66 8.527 8.527 7.721 0.806 25460 3877 1 9 . 1 1 67 67 LYS N N 67 116.240 116.240 121.891 -5.651 25460 3878 1 9 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.483 -0.306 25460 3879 1 9 . 1 1 67 67 LYS C C 67 178.480 178.480 175.836 2.644 25460 3880 1 9 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.281 2.579 25460 3881 1 9 . 1 1 67 67 LYS CB C 67 32.120 32.120 33.261 -1.141 25460 3882 1 9 . 1 1 67 67 LYS H H 67 8.014 8.014 8.028 -0.014 25460 3883 1 9 . 1 1 68 68 VAL N N 68 126.980 126.980 127.426 -0.446 25460 3884 1 9 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.194 -0.519 25460 3885 1 9 . 1 1 68 68 VAL C C 68 174.460 174.460 174.007 0.453 25460 3886 1 9 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.346 3.404 25460 3887 1 9 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.843 -1.683 25460 3888 1 9 . 1 1 68 68 VAL H H 68 8.967 8.967 8.694 0.273 25460 3889 1 9 . 1 1 69 69 ILE N N 69 132.540 132.540 128.723 3.817 25460 3890 1 9 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.474 -0.295 25460 3891 1 9 . 1 1 69 69 ILE C C 69 175.060 175.060 175.260 -0.200 25460 3892 1 9 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.759 0.801 25460 3893 1 9 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.243 1.247 25460 3894 1 9 . 1 1 69 69 ILE H H 69 8.689 8.689 7.822 0.867 25460 3895 1 9 . 1 1 70 70 LEU N N 70 125.290 125.290 126.207 -0.917 25460 3896 1 9 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.725 0.573 25460 3897 1 9 . 1 1 70 70 LEU C C 70 180.800 180.800 179.188 1.612 25460 3898 1 9 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.873 -1.683 25460 3899 1 9 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.505 -1.355 25460 3900 1 9 . 1 1 70 70 LEU H H 70 8.829 8.829 9.297 -0.468 25460 3901 1 9 . 1 1 71 71 THR N N 71 115.510 115.510 112.860 2.650 25460 3902 1 9 . 1 1 71 71 THR HA H 71 4.094 4.094 4.442 -0.348 25460 3903 1 9 . 1 1 71 71 THR C C 71 176.240 176.240 175.858 0.382 25460 3904 1 9 . 1 1 71 71 THR CA C 71 63.950 63.950 64.572 -0.622 25460 3905 1 9 . 1 1 71 71 THR CB C 71 68.280 68.280 68.601 -0.321 25460 3906 1 9 . 1 1 71 71 THR H H 71 8.546 8.546 8.579 -0.033 25460 3907 1 9 . 1 1 72 72 ASN N N 72 117.010 117.010 118.770 -1.760 25460 3908 1 9 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.712 -0.148 25460 3909 1 9 . 1 1 72 72 ASN C C 72 177.340 177.340 175.947 1.393 25460 3910 1 9 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.477 -0.767 25460 3911 1 9 . 1 1 72 72 ASN CB C 72 37.220 37.220 39.017 -1.796 25460 3912 1 9 . 1 1 72 72 ASN H H 72 8.162 8.162 8.279 -0.117 25460 3913 1 9 . 1 1 73 73 GLY N N 73 106.660 106.660 106.521 0.139 25460 3914 1 9 . 1 1 73 73 GLY C C 73 175.020 175.020 173.623 1.397 25460 3915 1 9 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.460 0.240 25460 3916 1 9 . 1 1 73 73 GLY H H 73 7.985 7.985 8.081 -0.096 25460 3917 1 9 . 1 1 74 74 LYS N N 74 120.730 120.730 119.619 1.111 25460 3918 1 9 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.645 -0.347 25460 3919 1 9 . 1 1 74 74 LYS C C 74 175.720 175.720 175.717 0.003 25460 3920 1 9 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.354 1.376 25460 3921 1 9 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.810 -1.320 25460 3922 1 9 . 1 1 74 74 LYS H H 74 7.820 7.820 7.970 -0.150 25460 3923 1 9 . 1 1 75 75 GLN N N 75 119.590 119.590 120.207 -0.617 25460 3924 1 9 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.711 -0.555 25460 3925 1 9 . 1 1 75 75 GLN C C 75 176.490 176.490 175.876 0.614 25460 3926 1 9 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.619 -0.039 25460 3927 1 9 . 1 1 75 75 GLN CB C 75 29.020 29.020 30.169 -1.149 25460 3928 1 9 . 1 1 75 75 GLN H H 75 8.273 8.273 8.563 -0.290 25460 3929 1 9 . 1 1 76 76 ALA N N 76 129.340 129.340 123.858 5.482 25460 3930 1 9 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.448 -0.282 25460 3931 1 9 . 1 1 76 76 ALA C C 76 174.920 174.920 175.592 -0.672 25460 3932 1 9 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.019 0.061 25460 3933 1 9 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.181 -0.301 25460 3934 1 9 . 1 1 76 76 ALA H H 76 8.698 8.698 8.042 0.656 25460 3935 1 9 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.252 -0.015 25460 3936 1 9 . 1 1 77 77 PRO C C 77 178.170 178.170 177.105 1.065 25460 3937 1 9 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.933 0.237 25460 3938 1 9 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.658 -0.188 25460 3939 1 9 . 1 1 78 78 ASP N N 78 121.040 121.040 120.444 0.596 25460 3940 1 9 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.174 0.043 25460 3941 1 9 . 1 1 78 78 ASP C C 78 176.610 176.610 176.898 -0.288 25460 3942 1 9 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.944 -0.444 25460 3943 1 9 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.276 0.254 25460 3944 1 9 . 1 1 78 78 ASP H H 78 8.607 8.607 8.533 0.074 25460 3945 1 9 . 1 1 79 79 TRP N N 79 114.440 114.440 114.559 -0.119 25460 3946 1 9 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.523 -0.031 25460 3947 1 9 . 1 1 79 79 TRP C C 79 175.280 175.280 175.278 0.002 25460 3948 1 9 . 1 1 79 79 TRP CA C 79 54.630 54.630 56.712 -2.082 25460 3949 1 9 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.192 -0.052 25460 3950 1 9 . 1 1 79 79 TRP H H 79 6.768 6.768 7.646 -0.878 25460 3951 1 9 . 1 1 80 80 LEU N N 80 123.450 123.450 123.442 0.008 25460 3952 1 9 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.672 0.089 25460 3953 1 9 . 1 1 80 80 LEU C C 80 174.270 174.270 175.252 -0.982 25460 3954 1 9 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.657 1.194 25460 3955 1 9 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.210 0.680 25460 3956 1 9 . 1 1 80 80 LEU H H 80 6.577 6.577 6.841 -0.264 25460 3957 1 9 . 1 1 81 81 ALA N N 81 130.910 130.910 129.962 0.948 25460 3958 1 9 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.658 0.009 25460 3959 1 9 . 1 1 81 81 ALA C C 81 175.210 175.210 175.087 0.123 25460 3960 1 9 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.500 -0.190 25460 3961 1 9 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.927 0.343 25460 3962 1 9 . 1 1 81 81 ALA H H 81 9.037 9.037 8.773 0.264 25460 3963 1 9 . 1 1 82 82 ALA N N 82 119.120 119.120 125.240 -6.120 25460 3964 1 9 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.288 0.389 25460 3965 1 9 . 1 1 82 82 ALA C C 82 177.280 177.280 175.859 1.421 25460 3966 1 9 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.468 0.542 25460 3967 1 9 . 1 1 82 82 ALA CB C 82 22.240 22.240 20.858 1.382 25460 3968 1 9 . 1 1 82 82 ALA H H 82 8.159 8.159 8.317 -0.158 25460 3969 1 9 . 1 1 83 83 GLU N N 83 116.910 116.910 122.098 -5.188 25460 3970 1 9 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.955 -0.017 25460 3971 1 9 . 1 1 83 83 GLU C C 83 172.560 172.560 173.903 -1.343 25460 3972 1 9 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.487 0.523 25460 3973 1 9 . 1 1 83 83 GLU CB C 83 32.470 32.470 30.881 1.589 25460 3974 1 9 . 1 1 83 83 GLU H H 83 8.614 8.614 8.614 0.000 25460 3975 1 9 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.393 1.120 25460 3976 1 9 . 1 1 84 84 PRO C C 84 177.340 177.340 175.923 1.417 25460 3977 1 9 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.736 -0.806 25460 3978 1 9 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.849 0.571 25460 3979 1 10 . 1 1 8 8 GLY N N 8 110.720 110.720 109.373 1.347 25460 3980 1 10 . 1 1 8 8 GLY C C 8 174.650 174.650 173.586 1.064 25460 3981 1 10 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.528 0.942 25460 3982 1 10 . 1 1 8 8 GLY H H 8 8.462 8.462 8.730 -0.268 25460 3983 1 10 . 1 1 9 9 ARG N N 9 120.430 120.430 120.662 -0.232 25460 3984 1 10 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.528 -0.210 25460 3985 1 10 . 1 1 9 9 ARG C C 9 176.790 176.790 175.338 1.452 25460 3986 1 10 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.707 0.633 25460 3987 1 10 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.843 -0.313 25460 3988 1 10 . 1 1 9 9 ARG H H 9 8.206 8.206 8.130 0.076 25460 3989 1 10 . 1 1 10 10 GLU N N 10 121.220 121.220 121.730 -0.510 25460 3990 1 10 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.254 -0.044 25460 3991 1 10 . 1 1 10 10 GLU C C 10 176.600 176.600 175.314 1.286 25460 3992 1 10 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.726 0.544 25460 3993 1 10 . 1 1 10 10 GLU CB C 10 29.780 29.780 28.664 1.116 25460 3994 1 10 . 1 1 10 10 GLU H H 10 8.562 8.562 8.055 0.507 25460 3995 1 10 . 1 1 11 11 ASN N N 11 118.900 118.900 126.106 -7.206 25460 3996 1 10 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.840 -0.170 25460 3997 1 10 . 1 1 11 11 ASN C C 11 175.420 175.420 173.978 1.442 25460 3998 1 10 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.770 0.680 25460 3999 1 10 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.439 -0.729 25460 4000 1 10 . 1 1 11 11 ASN H H 11 8.337 8.337 8.375 -0.038 25460 4001 1 10 . 1 1 12 12 LEU N N 12 121.830 121.830 126.384 -4.554 25460 4002 1 10 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.297 -0.105 25460 4003 1 10 . 1 1 12 12 LEU C C 12 177.290 177.290 176.047 1.243 25460 4004 1 10 . 1 1 12 12 LEU CA C 12 55.630 55.630 55.026 0.605 25460 4005 1 10 . 1 1 12 12 LEU CB C 12 42.260 42.260 42.068 0.192 25460 4006 1 10 . 1 1 12 12 LEU H H 12 7.988 7.988 8.282 -0.294 25460 4007 1 10 . 1 1 13 13 TYR N N 13 119.550 119.550 124.590 -5.040 25460 4008 1 10 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.397 0.101 25460 4009 1 10 . 1 1 13 13 TYR C C 13 175.950 175.950 175.250 0.700 25460 4010 1 10 . 1 1 13 13 TYR CA C 13 57.930 57.930 56.821 1.109 25460 4011 1 10 . 1 1 13 13 TYR CB C 13 38.590 38.590 37.992 0.598 25460 4012 1 10 . 1 1 13 13 TYR H H 13 7.966 7.966 8.194 -0.228 25460 4013 1 10 . 1 1 14 14 PHE N N 14 121.130 121.130 123.070 -1.940 25460 4014 1 10 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.632 -0.108 25460 4015 1 10 . 1 1 14 14 PHE C C 14 175.820 175.820 175.872 -0.052 25460 4016 1 10 . 1 1 14 14 PHE CA C 14 57.950 57.950 56.009 1.941 25460 4017 1 10 . 1 1 14 14 PHE CB C 14 39.510 39.510 38.388 1.123 25460 4018 1 10 . 1 1 14 14 PHE H H 14 8.006 8.006 8.126 -0.120 25460 4019 1 10 . 1 1 15 15 GLN N N 15 121.840 121.840 124.492 -2.652 25460 4020 1 10 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.334 -0.149 25460 4021 1 10 . 1 1 15 15 GLN C C 15 176.420 176.420 174.982 1.438 25460 4022 1 10 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.022 1.158 25460 4023 1 10 . 1 1 15 15 GLN CB C 15 29.110 29.110 26.492 2.618 25460 4024 1 10 . 1 1 15 15 GLN H H 15 8.217 8.217 8.646 -0.429 25460 4025 1 10 . 1 1 16 16 GLY N N 16 108.430 108.430 110.017 -1.587 25460 4026 1 10 . 1 1 16 16 GLY C C 16 174.140 174.140 173.501 0.639 25460 4027 1 10 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.534 0.776 25460 4028 1 10 . 1 1 16 16 GLY H H 16 7.907 7.907 7.860 0.047 25460 4029 1 10 . 1 1 17 17 HIS N N 17 117.990 117.990 125.807 -7.817 25460 4030 1 10 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.521 -0.644 25460 4031 1 10 . 1 1 17 17 HIS C C 17 174.610 174.610 174.848 -0.238 25460 4032 1 10 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.693 -0.263 25460 4033 1 10 . 1 1 17 17 HIS CB C 17 29.280 29.280 29.850 -0.570 25460 4034 1 10 . 1 1 17 17 HIS H H 17 8.250 8.250 8.210 0.040 25460 4035 1 10 . 1 1 18 18 MET N N 18 121.430 121.430 123.145 -1.715 25460 4036 1 10 . 1 1 18 18 MET HA H 18 4.395 4.395 4.707 -0.312 25460 4037 1 10 . 1 1 18 18 MET C C 18 175.750 175.750 176.396 -0.646 25460 4038 1 10 . 1 1 18 18 MET CA C 18 55.660 55.660 54.562 1.098 25460 4039 1 10 . 1 1 18 18 MET CB C 18 32.740 32.740 33.747 -1.007 25460 4040 1 10 . 1 1 18 18 MET H H 18 8.320 8.320 8.644 -0.324 25460 4041 1 10 . 1 1 19 19 ALA N N 19 125.550 125.550 124.597 0.953 25460 4042 1 10 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.473 -0.201 25460 4043 1 10 . 1 1 19 19 ALA C C 19 176.950 176.950 176.092 0.858 25460 4044 1 10 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.810 0.450 25460 4045 1 10 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.863 0.267 25460 4046 1 10 . 1 1 19 19 ALA H H 19 8.262 8.262 8.643 -0.381 25460 4047 1 10 . 1 1 20 20 ALA N N 20 124.430 124.430 119.706 4.724 25460 4048 1 10 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.118 0.418 25460 4049 1 10 . 1 1 20 20 ALA C C 20 175.390 175.390 175.705 -0.315 25460 4050 1 10 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.574 -1.474 25460 4051 1 10 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.122 1.298 25460 4052 1 10 . 1 1 20 20 ALA H H 20 8.083 8.083 7.973 0.110 25460 4053 1 10 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.343 0.107 25460 4054 1 10 . 1 1 21 21 PRO C C 21 175.770 175.770 176.081 -0.311 25460 4055 1 10 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.932 -8.412 25460 4056 1 10 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.063 0.897 25460 4057 1 10 . 1 1 22 22 ALA N N 22 124.420 124.420 120.630 3.790 25460 4058 1 10 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.801 -0.468 25460 4059 1 10 . 1 1 22 22 ALA C C 22 176.920 176.920 175.730 1.190 25460 4060 1 10 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.451 0.899 25460 4061 1 10 . 1 1 22 22 ALA CB C 22 19.190 19.190 21.830 -2.640 25460 4062 1 10 . 1 1 22 22 ALA H H 22 8.235 8.235 7.401 0.834 25460 4063 1 10 . 1 1 23 23 ARG N N 23 120.140 120.140 120.312 -0.172 25460 4064 1 10 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.556 -0.213 25460 4065 1 10 . 1 1 23 23 ARG C C 23 176.220 176.220 176.001 0.219 25460 4066 1 10 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.745 0.255 25460 4067 1 10 . 1 1 23 23 ARG CB C 23 33.490 33.490 32.958 0.532 25460 4068 1 10 . 1 1 23 23 ARG H H 23 9.271 9.271 9.012 0.259 25460 4069 1 10 . 1 1 24 24 PHE N N 24 119.130 119.130 117.900 1.230 25460 4070 1 10 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.370 0.012 25460 4071 1 10 . 1 1 24 24 PHE C C 24 175.910 175.910 174.374 1.536 25460 4072 1 10 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.793 0.057 25460 4073 1 10 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.892 -0.332 25460 4074 1 10 . 1 1 24 24 PHE H H 24 9.270 9.270 8.443 0.827 25460 4075 1 10 . 1 1 25 25 CYS N N 25 116.300 116.300 118.691 -2.391 25460 4076 1 10 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.325 -0.006 25460 4077 1 10 . 1 1 25 25 CYS C C 25 172.990 172.990 173.963 -0.973 25460 4078 1 10 . 1 1 25 25 CYS CA C 25 54.200 54.200 58.081 -3.881 25460 4079 1 10 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.072 9.668 25460 4080 1 10 . 1 1 25 25 CYS H H 25 9.254 9.254 9.214 0.040 25460 4081 1 10 . 1 1 26 26 VAL N N 26 126.290 126.290 123.571 2.719 25460 4082 1 10 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.332 0.050 25460 4083 1 10 . 1 1 26 26 VAL C C 26 174.520 174.520 175.078 -0.558 25460 4084 1 10 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.999 -0.259 25460 4085 1 10 . 1 1 26 26 VAL CB C 26 32.380 32.380 31.515 0.866 25460 4086 1 10 . 1 1 26 26 VAL H H 26 9.512 9.512 9.136 0.376 25460 4087 1 10 . 1 1 27 27 TYR N N 27 123.620 123.620 127.828 -4.208 25460 4088 1 10 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.360 -0.216 25460 4089 1 10 . 1 1 27 27 TYR C C 27 175.400 175.400 175.168 0.232 25460 4090 1 10 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.362 0.738 25460 4091 1 10 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.602 0.258 25460 4092 1 10 . 1 1 27 27 TYR H H 27 8.240 8.240 8.976 -0.736 25460 4093 1 10 . 1 1 28 28 TYR N N 28 119.740 119.740 118.634 1.106 25460 4094 1 10 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.350 -0.077 25460 4095 1 10 . 1 1 28 28 TYR C C 28 174.590 174.590 174.733 -0.143 25460 4096 1 10 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.309 0.591 25460 4097 1 10 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.949 1.141 25460 4098 1 10 . 1 1 28 28 TYR H H 28 9.448 9.448 9.285 0.163 25460 4099 1 10 . 1 1 29 29 ASP N N 29 118.650 118.650 122.425 -3.775 25460 4100 1 10 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.069 0.186 25460 4101 1 10 . 1 1 29 29 ASP C C 29 177.670 177.670 175.699 1.971 25460 4102 1 10 . 1 1 29 29 ASP CA C 29 52.800 52.800 53.841 -1.041 25460 4103 1 10 . 1 1 29 29 ASP CB C 29 41.350 41.350 42.533 -1.183 25460 4104 1 10 . 1 1 29 29 ASP H H 29 8.995 8.995 9.070 -0.075 25460 4105 1 10 . 1 1 30 30 GLY N N 30 114.740 114.740 115.630 -0.890 25460 4106 1 10 . 1 1 30 30 GLY C C 30 173.320 173.320 172.459 0.861 25460 4107 1 10 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.263 -1.153 25460 4108 1 10 . 1 1 30 30 GLY H H 30 9.046 9.046 9.108 -0.062 25460 4109 1 10 . 1 1 31 31 HIS N N 31 113.880 113.880 115.956 -2.076 25460 4110 1 10 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.711 -0.218 25460 4111 1 10 . 1 1 31 31 HIS C C 31 175.230 175.230 174.078 1.152 25460 4112 1 10 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.311 0.669 25460 4113 1 10 . 1 1 31 31 HIS CB C 31 30.630 30.630 29.758 0.872 25460 4114 1 10 . 1 1 31 31 HIS H H 31 8.306 8.306 8.641 -0.335 25460 4115 1 10 . 1 1 32 32 LEU N N 32 124.060 124.060 123.133 0.927 25460 4116 1 10 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.582 0.242 25460 4117 1 10 . 1 1 32 32 LEU C C 32 176.030 176.030 175.450 0.580 25460 4118 1 10 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.986 1.094 25460 4119 1 10 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.696 -2.156 25460 4120 1 10 . 1 1 32 32 LEU H H 32 8.477 8.477 7.458 1.019 25460 4121 1 10 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.219 -0.466 25460 4122 1 10 . 1 1 33 33 PRO C C 33 177.880 177.880 176.414 1.466 25460 4123 1 10 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.252 1.248 25460 4124 1 10 . 1 1 33 33 PRO CB C 33 31.770 31.770 32.090 -0.320 25460 4125 1 10 . 1 1 34 34 ALA N N 34 115.220 115.220 121.716 -6.496 25460 4126 1 10 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.302 -0.109 25460 4127 1 10 . 1 1 34 34 ALA C C 34 179.120 179.120 178.767 0.353 25460 4128 1 10 . 1 1 34 34 ALA CA C 34 54.610 54.610 54.428 0.181 25460 4129 1 10 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.160 0.270 25460 4130 1 10 . 1 1 34 34 ALA H H 34 8.193 8.193 7.860 0.333 25460 4131 1 10 . 1 1 35 35 THR N N 35 102.120 102.120 114.578 -12.458 25460 4132 1 10 . 1 1 35 35 THR HA H 35 4.597 4.597 4.236 0.361 25460 4133 1 10 . 1 1 35 35 THR C C 35 175.610 175.610 174.291 1.319 25460 4134 1 10 . 1 1 35 35 THR CA C 35 60.400 60.400 61.967 -1.567 25460 4135 1 10 . 1 1 35 35 THR CB C 35 70.550 70.550 68.355 2.195 25460 4136 1 10 . 1 1 35 35 THR H H 35 7.187 7.187 7.992 -0.805 25460 4137 1 10 . 1 1 36 36 ARG N N 36 122.520 122.520 122.014 0.506 25460 4138 1 10 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.472 0.291 25460 4139 1 10 . 1 1 36 36 ARG C C 36 175.220 175.220 175.731 -0.511 25460 4140 1 10 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.339 1.751 25460 4141 1 10 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.190 -0.310 25460 4142 1 10 . 1 1 36 36 ARG H H 36 7.918 7.918 7.328 0.590 25460 4143 1 10 . 1 1 37 37 VAL N N 37 122.110 122.110 124.519 -2.409 25460 4144 1 10 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.275 0.066 25460 4145 1 10 . 1 1 37 37 VAL C C 37 175.690 175.690 175.540 0.150 25460 4146 1 10 . 1 1 37 37 VAL CA C 37 61.330 61.330 61.360 -0.030 25460 4147 1 10 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.109 1.941 25460 4148 1 10 . 1 1 37 37 VAL H H 37 8.603 8.603 8.938 -0.335 25460 4149 1 10 . 1 1 38 38 LEU N N 38 130.470 130.470 129.934 0.536 25460 4150 1 10 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.117 -0.348 25460 4151 1 10 . 1 1 38 38 LEU C C 38 176.510 176.510 175.870 0.640 25460 4152 1 10 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.416 0.954 25460 4153 1 10 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.741 0.079 25460 4154 1 10 . 1 1 38 38 LEU H H 38 8.708 8.708 8.806 -0.098 25460 4155 1 10 . 1 1 39 39 LEU N N 39 126.440 126.440 128.729 -2.289 25460 4156 1 10 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.382 0.245 25460 4157 1 10 . 1 1 39 39 LEU C C 39 176.800 176.800 177.057 -0.257 25460 4158 1 10 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.806 -0.076 25460 4159 1 10 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.090 -0.760 25460 4160 1 10 . 1 1 39 39 LEU H H 39 9.254 9.254 9.011 0.243 25460 4161 1 10 . 1 1 40 40 MET N N 40 114.550 114.550 111.496 3.054 25460 4162 1 10 . 1 1 40 40 MET HA H 40 4.471 4.471 4.488 -0.017 25460 4163 1 10 . 1 1 40 40 MET C C 40 173.750 173.750 173.495 0.255 25460 4164 1 10 . 1 1 40 40 MET CA C 40 56.040 56.040 54.754 1.286 25460 4165 1 10 . 1 1 40 40 MET CB C 40 36.880 36.880 34.972 1.908 25460 4166 1 10 . 1 1 40 40 MET H H 40 7.054 7.054 7.465 -0.411 25460 4167 1 10 . 1 1 41 41 TYR N N 41 123.270 123.270 118.824 4.446 25460 4168 1 10 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.654 -0.841 25460 4169 1 10 . 1 1 41 41 TYR C C 41 175.680 175.680 176.386 -0.706 25460 4170 1 10 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.163 0.777 25460 4171 1 10 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.804 -0.344 25460 4172 1 10 . 1 1 41 41 TYR H H 41 8.563 8.563 8.315 0.248 25460 4173 1 10 . 1 1 42 42 VAL N N 42 123.930 123.930 122.063 1.867 25460 4174 1 10 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.476 -0.068 25460 4175 1 10 . 1 1 42 42 VAL C C 42 175.600 175.600 174.716 0.884 25460 4176 1 10 . 1 1 42 42 VAL CA C 42 61.480 61.480 61.044 0.436 25460 4177 1 10 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.190 0.120 25460 4178 1 10 . 1 1 42 42 VAL H H 42 9.442 9.442 9.304 0.138 25460 4179 1 10 . 1 1 43 43 ARG N N 43 129.290 129.290 127.586 1.704 25460 4180 1 10 . 1 1 43 43 ARG HA H 43 3.924 3.924 3.825 0.099 25460 4181 1 10 . 1 1 43 43 ARG C C 43 177.010 177.010 176.113 0.897 25460 4182 1 10 . 1 1 43 43 ARG CA C 43 56.760 56.760 54.870 1.890 25460 4183 1 10 . 1 1 43 43 ARG CB C 43 29.980 29.980 29.842 0.138 25460 4184 1 10 . 1 1 43 43 ARG H H 43 8.940 8.940 8.895 0.045 25460 4185 1 10 . 1 1 44 44 ILE N N 44 128.260 128.260 127.072 1.188 25460 4186 1 10 . 1 1 44 44 ILE HA H 44 3.686 3.686 4.025 -0.339 25460 4187 1 10 . 1 1 44 44 ILE C C 44 177.020 177.020 176.661 0.359 25460 4188 1 10 . 1 1 44 44 ILE CA C 44 64.930 64.930 63.113 1.817 25460 4189 1 10 . 1 1 44 44 ILE CB C 44 37.240 37.240 36.983 0.257 25460 4190 1 10 . 1 1 44 44 ILE H H 44 8.345 8.345 8.323 0.022 25460 4191 1 10 . 1 1 45 45 GLY N N 45 115.530 115.530 116.141 -0.611 25460 4192 1 10 . 1 1 45 45 GLY C C 45 174.860 174.860 174.029 0.831 25460 4193 1 10 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.915 -0.675 25460 4194 1 10 . 1 1 45 45 GLY H H 45 9.423 9.423 9.089 0.334 25460 4195 1 10 . 1 1 46 46 THR N N 46 111.410 111.410 113.057 -1.647 25460 4196 1 10 . 1 1 46 46 THR HA H 46 4.974 4.974 4.793 0.181 25460 4197 1 10 . 1 1 46 46 THR C C 46 172.310 172.310 173.141 -0.831 25460 4198 1 10 . 1 1 46 46 THR CA C 46 60.280 60.280 59.998 0.282 25460 4199 1 10 . 1 1 46 46 THR CB C 46 72.160 72.160 70.658 1.502 25460 4200 1 10 . 1 1 46 46 THR H H 46 7.925 7.925 7.822 0.103 25460 4201 1 10 . 1 1 47 47 THR N N 47 109.430 109.430 111.313 -1.883 25460 4202 1 10 . 1 1 47 47 THR HA H 47 5.383 5.383 5.202 0.181 25460 4203 1 10 . 1 1 47 47 THR C C 47 174.560 174.560 174.153 0.407 25460 4204 1 10 . 1 1 47 47 THR CA C 47 59.240 59.240 59.903 -0.663 25460 4205 1 10 . 1 1 47 47 THR CB C 47 71.840 71.840 70.976 0.864 25460 4206 1 10 . 1 1 47 47 THR H H 47 7.784 7.784 8.130 -0.346 25460 4207 1 10 . 1 1 48 48 ALA N N 48 122.630 122.630 123.532 -0.902 25460 4208 1 10 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.629 0.029 25460 4209 1 10 . 1 1 48 48 ALA C C 48 175.620 175.620 175.210 0.410 25460 4210 1 10 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.756 -0.156 25460 4211 1 10 . 1 1 48 48 ALA CB C 48 24.410 24.410 21.954 2.456 25460 4212 1 10 . 1 1 48 48 ALA H H 48 8.681 8.681 8.867 -0.186 25460 4213 1 10 . 1 1 49 49 THR N N 49 116.020 116.020 118.403 -2.383 25460 4214 1 10 . 1 1 49 49 THR HA H 49 4.914 4.914 5.072 -0.158 25460 4215 1 10 . 1 1 49 49 THR C C 49 174.400 174.400 174.061 0.339 25460 4216 1 10 . 1 1 49 49 THR CA C 49 62.320 62.320 62.022 0.298 25460 4217 1 10 . 1 1 49 49 THR CB C 49 69.260 69.260 69.257 0.003 25460 4218 1 10 . 1 1 49 49 THR H H 49 8.347 8.347 8.347 0.000 25460 4219 1 10 . 1 1 50 50 ILE N N 50 126.050 126.050 128.802 -2.752 25460 4220 1 10 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.278 0.158 25460 4221 1 10 . 1 1 50 50 ILE C C 50 175.080 175.080 175.377 -0.297 25460 4222 1 10 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.901 0.609 25460 4223 1 10 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.228 1.442 25460 4224 1 10 . 1 1 50 50 ILE H H 50 9.199 9.199 9.071 0.128 25460 4225 1 10 . 1 1 51 51 THR N N 51 120.630 120.630 122.778 -2.148 25460 4226 1 10 . 1 1 51 51 THR HA H 51 5.312 5.312 5.559 -0.247 25460 4227 1 10 . 1 1 51 51 THR C C 51 174.250 174.250 173.392 0.858 25460 4228 1 10 . 1 1 51 51 THR CA C 51 61.030 61.030 61.324 -0.294 25460 4229 1 10 . 1 1 51 51 THR CB C 51 69.850 69.850 69.956 -0.106 25460 4230 1 10 . 1 1 51 51 THR H H 51 8.500 8.500 8.589 -0.089 25460 4231 1 10 . 1 1 52 52 ALA N N 52 127.710 127.710 127.525 0.185 25460 4232 1 10 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.992 -0.281 25460 4233 1 10 . 1 1 52 52 ALA C C 52 176.530 176.530 176.982 -0.452 25460 4234 1 10 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.122 0.858 25460 4235 1 10 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.768 0.952 25460 4236 1 10 . 1 1 52 52 ALA H H 52 9.202 9.202 9.197 0.005 25460 4237 1 10 . 1 1 53 53 ARG N N 53 118.780 118.780 122.055 -3.275 25460 4238 1 10 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.977 -0.121 25460 4239 1 10 . 1 1 53 53 ARG C C 53 177.070 177.070 175.866 1.204 25460 4240 1 10 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.684 0.346 25460 4241 1 10 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.831 -0.790 25460 4242 1 10 . 1 1 53 53 ARG H H 53 9.303 9.303 9.238 0.065 25460 4243 1 10 . 1 1 54 54 GLY N N 54 104.070 104.070 103.617 0.453 25460 4244 1 10 . 1 1 54 54 GLY C C 54 174.110 174.110 173.787 0.323 25460 4245 1 10 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.047 0.313 25460 4246 1 10 . 1 1 54 54 GLY H H 54 8.714 8.714 8.504 0.210 25460 4247 1 10 . 1 1 55 55 HIS N N 55 119.170 119.170 119.540 -0.370 25460 4248 1 10 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.664 0.112 25460 4249 1 10 . 1 1 55 55 HIS C C 55 172.310 172.310 173.556 -1.246 25460 4250 1 10 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.205 -1.175 25460 4251 1 10 . 1 1 55 55 HIS CB C 55 32.100 32.100 32.112 -0.012 25460 4252 1 10 . 1 1 55 55 HIS H H 55 8.227 8.227 8.291 -0.064 25460 4253 1 10 . 1 1 56 56 GLU N N 56 119.640 119.640 120.913 -1.273 25460 4254 1 10 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.018 0.069 25460 4255 1 10 . 1 1 56 56 GLU C C 56 176.150 176.150 175.397 0.753 25460 4256 1 10 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.343 -0.253 25460 4257 1 10 . 1 1 56 56 GLU CB C 56 31.780 31.780 31.152 0.628 25460 4258 1 10 . 1 1 56 56 GLU H H 56 8.024 8.024 8.531 -0.507 25460 4259 1 10 . 1 1 57 57 PHE N N 57 121.660 121.660 124.169 -2.509 25460 4260 1 10 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.770 0.004 25460 4261 1 10 . 1 1 57 57 PHE C C 57 173.930 173.930 174.502 -0.572 25460 4262 1 10 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.774 -0.304 25460 4263 1 10 . 1 1 57 57 PHE CB C 57 41.450 41.450 41.138 0.312 25460 4264 1 10 . 1 1 57 57 PHE H H 57 9.219 9.219 9.345 -0.126 25460 4265 1 10 . 1 1 58 58 GLU N N 58 125.630 125.630 126.475 -0.845 25460 4266 1 10 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.623 0.601 25460 4267 1 10 . 1 1 58 58 GLU C C 58 175.820 175.820 175.732 0.088 25460 4268 1 10 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.769 -0.309 25460 4269 1 10 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.529 0.421 25460 4270 1 10 . 1 1 58 58 GLU H H 58 8.597 8.597 8.952 -0.355 25460 4271 1 10 . 1 1 59 59 VAL N N 59 120.690 120.690 120.538 0.152 25460 4272 1 10 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.519 0.896 25460 4273 1 10 . 1 1 59 59 VAL C C 59 174.790 174.790 174.133 0.657 25460 4274 1 10 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.831 -1.280 25460 4275 1 10 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.705 -0.555 25460 4276 1 10 . 1 1 59 59 VAL H H 59 8.809 8.809 8.885 -0.076 25460 4277 1 10 . 1 1 60 60 GLU N N 60 118.570 118.570 123.178 -4.608 25460 4278 1 10 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.664 -0.047 25460 4279 1 10 . 1 1 60 60 GLU C C 60 176.050 176.050 175.462 0.588 25460 4280 1 10 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.378 -0.198 25460 4281 1 10 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.461 -0.411 25460 4282 1 10 . 1 1 60 60 GLU H H 60 8.024 8.024 8.827 -0.803 25460 4283 1 10 . 1 1 61 61 ALA N N 61 132.630 132.630 131.815 0.815 25460 4284 1 10 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.700 -0.001 25460 4285 1 10 . 1 1 61 61 ALA C C 61 176.260 176.260 176.611 -0.351 25460 4286 1 10 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.261 -0.741 25460 4287 1 10 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.357 -0.647 25460 4288 1 10 . 1 1 61 61 ALA H H 61 8.230 8.230 8.809 -0.579 25460 4289 1 10 . 1 1 62 62 LYS N N 62 126.080 126.080 120.843 5.237 25460 4290 1 10 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.265 -0.267 25460 4291 1 10 . 1 1 62 62 LYS C C 62 177.030 177.030 176.230 0.800 25460 4292 1 10 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.063 2.527 25460 4293 1 10 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.974 1.567 25460 4294 1 10 . 1 1 62 62 LYS H H 62 9.070 9.070 7.889 1.181 25460 4295 1 10 . 1 1 63 63 ASP N N 63 110.550 110.550 118.789 -8.239 25460 4296 1 10 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.868 -0.482 25460 4297 1 10 . 1 1 63 63 ASP C C 63 175.810 175.810 176.495 -0.685 25460 4298 1 10 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.620 0.530 25460 4299 1 10 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.112 -1.862 25460 4300 1 10 . 1 1 63 63 ASP H H 63 7.507 7.507 7.882 -0.375 25460 4301 1 10 . 1 1 64 64 GLN N N 64 112.740 112.740 123.629 -10.889 25460 4302 1 10 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.271 -0.171 25460 4303 1 10 . 1 1 64 64 GLN C C 64 175.950 175.950 175.607 0.343 25460 4304 1 10 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.493 0.196 25460 4305 1 10 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.565 -0.725 25460 4306 1 10 . 1 1 64 64 GLN H H 64 8.410 8.410 8.833 -0.423 25460 4307 1 10 . 1 1 65 65 ASN N N 65 117.790 117.790 117.687 0.103 25460 4308 1 10 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.836 -0.257 25460 4309 1 10 . 1 1 65 65 ASN C C 65 177.250 177.250 174.255 2.995 25460 4310 1 10 . 1 1 65 65 ASN CA C 65 55.120 55.120 52.251 2.869 25460 4311 1 10 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.709 -1.799 25460 4312 1 10 . 1 1 65 65 ASN H H 65 8.747 8.747 7.987 0.760 25460 4313 1 10 . 1 1 66 66 CYS N N 66 112.640 112.640 117.378 -4.738 25460 4314 1 10 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.236 0.189 25460 4315 1 10 . 1 1 66 66 CYS C C 66 174.970 174.970 174.175 0.795 25460 4316 1 10 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.597 -3.467 25460 4317 1 10 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.547 11.613 25460 4318 1 10 . 1 1 66 66 CYS H H 66 8.527 8.527 7.765 0.762 25460 4319 1 10 . 1 1 67 67 LYS N N 67 116.240 116.240 121.320 -5.080 25460 4320 1 10 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.200 -0.023 25460 4321 1 10 . 1 1 67 67 LYS C C 67 178.480 178.480 176.288 2.192 25460 4322 1 10 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.388 1.472 25460 4323 1 10 . 1 1 67 67 LYS CB C 67 32.120 32.120 32.031 0.090 25460 4324 1 10 . 1 1 67 67 LYS H H 67 8.014 8.014 8.089 -0.075 25460 4325 1 10 . 1 1 68 68 VAL N N 68 126.980 126.980 128.620 -1.640 25460 4326 1 10 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.143 -0.468 25460 4327 1 10 . 1 1 68 68 VAL C C 68 174.460 174.460 174.236 0.224 25460 4328 1 10 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.962 2.788 25460 4329 1 10 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.890 -1.730 25460 4330 1 10 . 1 1 68 68 VAL H H 68 8.967 8.967 8.325 0.642 25460 4331 1 10 . 1 1 69 69 ILE N N 69 132.540 132.540 127.735 4.805 25460 4332 1 10 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.657 -0.478 25460 4333 1 10 . 1 1 69 69 ILE C C 69 175.060 175.060 175.216 -0.156 25460 4334 1 10 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.549 1.011 25460 4335 1 10 . 1 1 69 69 ILE CB C 69 41.490 41.490 41.220 0.270 25460 4336 1 10 . 1 1 69 69 ILE H H 69 8.689 8.689 7.810 0.879 25460 4337 1 10 . 1 1 70 70 LEU N N 70 125.290 125.290 124.408 0.882 25460 4338 1 10 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.768 0.530 25460 4339 1 10 . 1 1 70 70 LEU C C 70 180.800 180.800 178.432 2.368 25460 4340 1 10 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.396 -1.206 25460 4341 1 10 . 1 1 70 70 LEU CB C 70 41.150 41.150 43.073 -1.923 25460 4342 1 10 . 1 1 70 70 LEU H H 70 8.829 8.829 9.056 -0.227 25460 4343 1 10 . 1 1 71 71 THR N N 71 115.510 115.510 112.904 2.606 25460 4344 1 10 . 1 1 71 71 THR HA H 71 4.094 4.094 4.187 -0.093 25460 4345 1 10 . 1 1 71 71 THR C C 71 176.240 176.240 175.949 0.291 25460 4346 1 10 . 1 1 71 71 THR CA C 71 63.950 63.950 65.068 -1.118 25460 4347 1 10 . 1 1 71 71 THR CB C 71 68.280 68.280 68.787 -0.507 25460 4348 1 10 . 1 1 71 71 THR H H 71 8.546 8.546 8.249 0.297 25460 4349 1 10 . 1 1 72 72 ASN N N 72 117.010 117.010 118.141 -1.131 25460 4350 1 10 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.703 -0.139 25460 4351 1 10 . 1 1 72 72 ASN C C 72 177.340 177.340 176.125 1.215 25460 4352 1 10 . 1 1 72 72 ASN CA C 72 52.710 52.710 52.843 -0.133 25460 4353 1 10 . 1 1 72 72 ASN CB C 72 37.220 37.220 37.577 -0.357 25460 4354 1 10 . 1 1 72 72 ASN H H 72 8.162 8.162 8.120 0.042 25460 4355 1 10 . 1 1 73 73 GLY N N 73 106.660 106.660 107.180 -0.520 25460 4356 1 10 . 1 1 73 73 GLY C C 73 175.020 175.020 174.047 0.973 25460 4357 1 10 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.192 0.508 25460 4358 1 10 . 1 1 73 73 GLY H H 73 7.985 7.985 7.636 0.349 25460 4359 1 10 . 1 1 74 74 LYS N N 74 120.730 120.730 121.107 -0.377 25460 4360 1 10 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.659 -0.361 25460 4361 1 10 . 1 1 74 74 LYS C C 74 175.720 175.720 176.073 -0.353 25460 4362 1 10 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.042 1.688 25460 4363 1 10 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.591 -1.101 25460 4364 1 10 . 1 1 74 74 LYS H H 74 7.820 7.820 8.364 -0.544 25460 4365 1 10 . 1 1 75 75 GLN N N 75 119.590 119.590 120.621 -1.031 25460 4366 1 10 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.337 -0.181 25460 4367 1 10 . 1 1 75 75 GLN C C 75 176.490 176.490 176.136 0.354 25460 4368 1 10 . 1 1 75 75 GLN CA C 75 55.580 55.580 56.346 -0.766 25460 4369 1 10 . 1 1 75 75 GLN CB C 75 29.020 29.020 28.825 0.196 25460 4370 1 10 . 1 1 75 75 GLN H H 75 8.273 8.273 8.635 -0.362 25460 4371 1 10 . 1 1 76 76 ALA N N 76 129.340 129.340 129.252 0.088 25460 4372 1 10 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.389 -0.223 25460 4373 1 10 . 1 1 76 76 ALA C C 76 174.920 174.920 175.504 -0.584 25460 4374 1 10 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.487 -0.407 25460 4375 1 10 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.035 -0.155 25460 4376 1 10 . 1 1 76 76 ALA H H 76 8.698 8.698 8.156 0.542 25460 4377 1 10 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.105 0.132 25460 4378 1 10 . 1 1 77 77 PRO C C 77 178.170 178.170 177.148 1.022 25460 4379 1 10 . 1 1 77 77 PRO CA C 77 62.170 62.170 63.003 -0.833 25460 4380 1 10 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.593 -0.123 25460 4381 1 10 . 1 1 78 78 ASP N N 78 121.040 121.040 120.679 0.361 25460 4382 1 10 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.303 -0.086 25460 4383 1 10 . 1 1 78 78 ASP C C 78 176.610 176.610 177.344 -0.734 25460 4384 1 10 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.214 0.286 25460 4385 1 10 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.517 0.014 25460 4386 1 10 . 1 1 78 78 ASP H H 78 8.607 8.607 8.452 0.155 25460 4387 1 10 . 1 1 79 79 TRP N N 79 114.440 114.440 114.570 -0.130 25460 4388 1 10 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.615 -0.123 25460 4389 1 10 . 1 1 79 79 TRP C C 79 175.280 175.280 175.127 0.153 25460 4390 1 10 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.687 -1.057 25460 4391 1 10 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.069 0.071 25460 4392 1 10 . 1 1 79 79 TRP H H 79 6.768 6.768 7.469 -0.701 25460 4393 1 10 . 1 1 80 80 LEU N N 80 123.450 123.450 123.422 0.028 25460 4394 1 10 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.815 -0.054 25460 4395 1 10 . 1 1 80 80 LEU C C 80 174.270 174.270 175.482 -1.212 25460 4396 1 10 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.737 1.113 25460 4397 1 10 . 1 1 80 80 LEU CB C 80 41.890 41.890 42.234 -0.344 25460 4398 1 10 . 1 1 80 80 LEU H H 80 6.577 6.577 6.831 -0.254 25460 4399 1 10 . 1 1 81 81 ALA N N 81 130.910 130.910 129.639 1.271 25460 4400 1 10 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.721 -0.054 25460 4401 1 10 . 1 1 81 81 ALA C C 81 175.210 175.210 175.277 -0.067 25460 4402 1 10 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.541 -0.231 25460 4403 1 10 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.564 0.706 25460 4404 1 10 . 1 1 81 81 ALA H H 81 9.037 9.037 8.977 0.060 25460 4405 1 10 . 1 1 82 82 ALA N N 82 119.120 119.120 124.113 -4.993 25460 4406 1 10 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.256 0.421 25460 4407 1 10 . 1 1 82 82 ALA C C 82 177.280 177.280 176.182 1.098 25460 4408 1 10 . 1 1 82 82 ALA CA C 82 51.010 51.010 51.289 -0.279 25460 4409 1 10 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.441 0.799 25460 4410 1 10 . 1 1 82 82 ALA H H 82 8.159 8.159 8.304 -0.145 25460 4411 1 10 . 1 1 83 83 GLU N N 83 116.910 116.910 122.259 -5.349 25460 4412 1 10 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.935 0.003 25460 4413 1 10 . 1 1 83 83 GLU C C 83 172.560 172.560 174.205 -1.645 25460 4414 1 10 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.543 0.467 25460 4415 1 10 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.353 1.117 25460 4416 1 10 . 1 1 83 83 GLU H H 83 8.614 8.614 8.691 -0.077 25460 4417 1 10 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.667 0.846 25460 4418 1 10 . 1 1 84 84 PRO C C 84 177.340 177.340 175.728 1.612 25460 4419 1 10 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.652 -0.722 25460 4420 1 10 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.028 0.392 25460 4421 1 11 . 1 1 8 8 GLY N N 8 110.720 110.720 112.177 -1.457 25460 4422 1 11 . 1 1 8 8 GLY C C 8 174.650 174.650 173.829 0.821 25460 4423 1 11 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.826 0.644 25460 4424 1 11 . 1 1 8 8 GLY H H 8 8.462 8.462 8.803 -0.341 25460 4425 1 11 . 1 1 9 9 ARG N N 9 120.430 120.430 121.611 -1.181 25460 4426 1 11 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.466 -0.148 25460 4427 1 11 . 1 1 9 9 ARG C C 9 176.790 176.790 175.280 1.510 25460 4428 1 11 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.466 0.874 25460 4429 1 11 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.397 0.133 25460 4430 1 11 . 1 1 9 9 ARG H H 9 8.206 8.206 7.715 0.491 25460 4431 1 11 . 1 1 10 10 GLU N N 10 121.220 121.220 122.292 -1.072 25460 4432 1 11 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.462 -0.252 25460 4433 1 11 . 1 1 10 10 GLU C C 10 176.600 176.600 175.921 0.679 25460 4434 1 11 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.136 1.134 25460 4435 1 11 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.944 -1.164 25460 4436 1 11 . 1 1 10 10 GLU H H 10 8.562 8.562 8.440 0.122 25460 4437 1 11 . 1 1 11 11 ASN N N 11 118.900 118.900 122.685 -3.785 25460 4438 1 11 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.668 0.002 25460 4439 1 11 . 1 1 11 11 ASN C C 11 175.420 175.420 173.789 1.631 25460 4440 1 11 . 1 1 11 11 ASN CA C 11 53.450 53.450 53.265 0.185 25460 4441 1 11 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.649 0.061 25460 4442 1 11 . 1 1 11 11 ASN H H 11 8.337 8.337 8.589 -0.252 25460 4443 1 11 . 1 1 12 12 LEU N N 12 121.830 121.830 125.278 -3.448 25460 4444 1 11 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.250 -0.058 25460 4445 1 11 . 1 1 12 12 LEU C C 12 177.290 177.290 175.764 1.526 25460 4446 1 11 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.355 1.275 25460 4447 1 11 . 1 1 12 12 LEU CB C 12 42.260 42.260 40.610 1.650 25460 4448 1 11 . 1 1 12 12 LEU H H 12 7.988 7.988 8.187 -0.199 25460 4449 1 11 . 1 1 13 13 TYR N N 13 119.550 119.550 127.087 -7.537 25460 4450 1 11 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.116 0.382 25460 4451 1 11 . 1 1 13 13 TYR C C 13 175.950 175.950 175.411 0.539 25460 4452 1 11 . 1 1 13 13 TYR CA C 13 57.930 57.930 56.609 1.321 25460 4453 1 11 . 1 1 13 13 TYR CB C 13 38.590 38.590 36.520 2.070 25460 4454 1 11 . 1 1 13 13 TYR H H 13 7.966 7.966 8.763 -0.797 25460 4455 1 11 . 1 1 14 14 PHE N N 14 121.130 121.130 118.003 3.127 25460 4456 1 11 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.057 0.467 25460 4457 1 11 . 1 1 14 14 PHE C C 14 175.820 175.820 175.564 0.256 25460 4458 1 11 . 1 1 14 14 PHE CA C 14 57.950 57.950 60.936 -2.986 25460 4459 1 11 . 1 1 14 14 PHE CB C 14 39.510 39.510 37.087 2.423 25460 4460 1 11 . 1 1 14 14 PHE H H 14 8.006 8.006 7.904 0.102 25460 4461 1 11 . 1 1 15 15 GLN N N 15 121.840 121.840 122.587 -0.747 25460 4462 1 11 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.229 -0.044 25460 4463 1 11 . 1 1 15 15 GLN C C 15 176.420 176.420 176.420 0.000 25460 4464 1 11 . 1 1 15 15 GLN CA C 15 56.180 56.180 56.728 -0.548 25460 4465 1 11 . 1 1 15 15 GLN CB C 15 29.110 29.110 27.931 1.179 25460 4466 1 11 . 1 1 15 15 GLN H H 15 8.217 8.217 8.240 -0.023 25460 4467 1 11 . 1 1 16 16 GLY N N 16 108.430 108.430 114.500 -6.070 25460 4468 1 11 . 1 1 16 16 GLY C C 16 174.140 174.140 173.704 0.436 25460 4469 1 11 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.850 0.460 25460 4470 1 11 . 1 1 16 16 GLY H H 16 7.907 7.907 8.316 -0.409 25460 4471 1 11 . 1 1 17 17 HIS N N 17 117.990 117.990 118.541 -0.551 25460 4472 1 11 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.757 -0.880 25460 4473 1 11 . 1 1 17 17 HIS C C 17 174.610 174.610 173.838 0.772 25460 4474 1 11 . 1 1 17 17 HIS CA C 17 55.430 55.430 54.688 0.742 25460 4475 1 11 . 1 1 17 17 HIS CB C 17 29.280 29.280 32.663 -3.382 25460 4476 1 11 . 1 1 17 17 HIS H H 17 8.250 8.250 8.142 0.108 25460 4477 1 11 . 1 1 18 18 MET N N 18 121.430 121.430 121.055 0.375 25460 4478 1 11 . 1 1 18 18 MET HA H 18 4.395 4.395 4.387 0.008 25460 4479 1 11 . 1 1 18 18 MET C C 18 175.750 175.750 176.189 -0.439 25460 4480 1 11 . 1 1 18 18 MET CA C 18 55.660 55.660 55.943 -0.283 25460 4481 1 11 . 1 1 18 18 MET CB C 18 32.740 32.740 32.957 -0.217 25460 4482 1 11 . 1 1 18 18 MET H H 18 8.320 8.320 7.832 0.488 25460 4483 1 11 . 1 1 19 19 ALA N N 19 125.550 125.550 129.916 -4.366 25460 4484 1 11 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.575 -0.303 25460 4485 1 11 . 1 1 19 19 ALA C C 19 176.950 176.950 176.689 0.261 25460 4486 1 11 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.813 0.447 25460 4487 1 11 . 1 1 19 19 ALA CB C 19 19.130 19.130 17.737 1.393 25460 4488 1 11 . 1 1 19 19 ALA H H 19 8.262 8.262 8.765 -0.503 25460 4489 1 11 . 1 1 20 20 ALA N N 20 124.430 124.430 120.674 3.756 25460 4490 1 11 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.302 0.234 25460 4491 1 11 . 1 1 20 20 ALA C C 20 175.390 175.390 175.768 -0.378 25460 4492 1 11 . 1 1 20 20 ALA CA C 20 50.100 50.100 52.049 -1.949 25460 4493 1 11 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.383 1.037 25460 4494 1 11 . 1 1 20 20 ALA H H 20 8.083 8.083 7.734 0.349 25460 4495 1 11 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.283 0.167 25460 4496 1 11 . 1 1 21 21 PRO C C 21 175.770 175.770 176.055 -0.285 25460 4497 1 11 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.644 -8.124 25460 4498 1 11 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.417 0.543 25460 4499 1 11 . 1 1 22 22 ALA N N 22 124.420 124.420 121.230 3.190 25460 4500 1 11 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.392 -0.059 25460 4501 1 11 . 1 1 22 22 ALA C C 22 176.920 176.920 177.123 -0.203 25460 4502 1 11 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.607 0.743 25460 4503 1 11 . 1 1 22 22 ALA CB C 22 19.190 19.190 20.014 -0.824 25460 4504 1 11 . 1 1 22 22 ALA H H 22 8.235 8.235 7.399 0.836 25460 4505 1 11 . 1 1 23 23 ARG N N 23 120.140 120.140 121.804 -1.664 25460 4506 1 11 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.271 0.072 25460 4507 1 11 . 1 1 23 23 ARG C C 23 176.220 176.220 176.222 -0.002 25460 4508 1 11 . 1 1 23 23 ARG CA C 23 57.000 57.000 57.233 -0.233 25460 4509 1 11 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.698 1.792 25460 4510 1 11 . 1 1 23 23 ARG H H 23 9.271 9.271 9.147 0.124 25460 4511 1 11 . 1 1 24 24 PHE N N 24 119.130 119.130 114.694 4.436 25460 4512 1 11 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.470 -0.088 25460 4513 1 11 . 1 1 24 24 PHE C C 24 175.910 175.910 174.511 1.399 25460 4514 1 11 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.456 0.394 25460 4515 1 11 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.659 -0.099 25460 4516 1 11 . 1 1 24 24 PHE H H 24 9.270 9.270 7.878 1.392 25460 4517 1 11 . 1 1 25 25 CYS N N 25 116.300 116.300 118.941 -2.641 25460 4518 1 11 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.242 0.077 25460 4519 1 11 . 1 1 25 25 CYS C C 25 172.990 172.990 174.221 -1.231 25460 4520 1 11 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.888 -3.688 25460 4521 1 11 . 1 1 25 25 CYS CB C 25 39.740 39.740 28.816 10.924 25460 4522 1 11 . 1 1 25 25 CYS H H 25 9.254 9.254 9.068 0.186 25460 4523 1 11 . 1 1 26 26 VAL N N 26 126.290 126.290 124.087 2.203 25460 4524 1 11 . 1 1 26 26 VAL HA H 26 4.382 4.382 3.988 0.394 25460 4525 1 11 . 1 1 26 26 VAL C C 26 174.520 174.520 174.749 -0.229 25460 4526 1 11 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.428 -0.688 25460 4527 1 11 . 1 1 26 26 VAL CB C 26 32.380 32.380 31.743 0.637 25460 4528 1 11 . 1 1 26 26 VAL H H 26 9.512 9.512 8.926 0.586 25460 4529 1 11 . 1 1 27 27 TYR N N 27 123.620 123.620 126.948 -3.328 25460 4530 1 11 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.536 -0.392 25460 4531 1 11 . 1 1 27 27 TYR C C 27 175.400 175.400 175.319 0.081 25460 4532 1 11 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.734 1.366 25460 4533 1 11 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.644 0.216 25460 4534 1 11 . 1 1 27 27 TYR H H 27 8.240 8.240 8.606 -0.366 25460 4535 1 11 . 1 1 28 28 TYR N N 28 119.740 119.740 119.726 0.014 25460 4536 1 11 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.311 -0.038 25460 4537 1 11 . 1 1 28 28 TYR C C 28 174.590 174.590 174.845 -0.255 25460 4538 1 11 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.136 0.764 25460 4539 1 11 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.321 1.769 25460 4540 1 11 . 1 1 28 28 TYR H H 28 9.448 9.448 9.186 0.262 25460 4541 1 11 . 1 1 29 29 ASP N N 29 118.650 118.650 122.994 -4.344 25460 4542 1 11 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.093 0.162 25460 4543 1 11 . 1 1 29 29 ASP C C 29 177.670 177.670 175.998 1.672 25460 4544 1 11 . 1 1 29 29 ASP CA C 29 52.800 52.800 53.534 -0.734 25460 4545 1 11 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.337 0.013 25460 4546 1 11 . 1 1 29 29 ASP H H 29 8.995 8.995 9.090 -0.095 25460 4547 1 11 . 1 1 30 30 GLY N N 30 114.740 114.740 116.126 -1.386 25460 4548 1 11 . 1 1 30 30 GLY C C 30 173.320 173.320 173.047 0.273 25460 4549 1 11 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.196 -1.086 25460 4550 1 11 . 1 1 30 30 GLY H H 30 9.046 9.046 8.884 0.162 25460 4551 1 11 . 1 1 31 31 HIS N N 31 113.880 113.880 116.753 -2.873 25460 4552 1 11 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.579 -0.086 25460 4553 1 11 . 1 1 31 31 HIS C C 31 175.230 175.230 174.527 0.703 25460 4554 1 11 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.730 0.250 25460 4555 1 11 . 1 1 31 31 HIS CB C 31 30.630 30.630 29.898 0.732 25460 4556 1 11 . 1 1 31 31 HIS H H 31 8.306 8.306 8.370 -0.064 25460 4557 1 11 . 1 1 32 32 LEU N N 32 124.060 124.060 123.395 0.665 25460 4558 1 11 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.603 0.221 25460 4559 1 11 . 1 1 32 32 LEU C C 32 176.030 176.030 175.985 0.045 25460 4560 1 11 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.515 1.565 25460 4561 1 11 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.228 -1.688 25460 4562 1 11 . 1 1 32 32 LEU H H 32 8.477 8.477 7.469 1.008 25460 4563 1 11 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.148 -0.395 25460 4564 1 11 . 1 1 33 33 PRO C C 33 177.880 177.880 177.602 0.278 25460 4565 1 11 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.861 0.639 25460 4566 1 11 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.771 -0.001 25460 4567 1 11 . 1 1 34 34 ALA N N 34 115.220 115.220 117.494 -2.274 25460 4568 1 11 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.435 -0.242 25460 4569 1 11 . 1 1 34 34 ALA C C 34 179.120 179.120 178.408 0.712 25460 4570 1 11 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.499 1.111 25460 4571 1 11 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.131 0.299 25460 4572 1 11 . 1 1 34 34 ALA H H 34 8.193 8.193 7.989 0.204 25460 4573 1 11 . 1 1 35 35 THR N N 35 102.120 102.120 112.675 -10.555 25460 4574 1 11 . 1 1 35 35 THR HA H 35 4.597 4.597 4.358 0.239 25460 4575 1 11 . 1 1 35 35 THR C C 35 175.610 175.610 173.815 1.795 25460 4576 1 11 . 1 1 35 35 THR CA C 35 60.400 60.400 61.018 -0.618 25460 4577 1 11 . 1 1 35 35 THR CB C 35 70.550 70.550 69.169 1.381 25460 4578 1 11 . 1 1 35 35 THR H H 35 7.187 7.187 7.728 -0.541 25460 4579 1 11 . 1 1 36 36 ARG N N 36 122.520 122.520 121.843 0.677 25460 4580 1 11 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.565 0.198 25460 4581 1 11 . 1 1 36 36 ARG C C 36 175.220 175.220 175.549 -0.329 25460 4582 1 11 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.587 1.503 25460 4583 1 11 . 1 1 36 36 ARG CB C 36 29.880 29.880 29.774 0.106 25460 4584 1 11 . 1 1 36 36 ARG H H 36 7.918 7.918 7.570 0.348 25460 4585 1 11 . 1 1 37 37 VAL N N 37 122.110 122.110 125.506 -3.396 25460 4586 1 11 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.196 0.145 25460 4587 1 11 . 1 1 37 37 VAL C C 37 175.690 175.690 175.373 0.317 25460 4588 1 11 . 1 1 37 37 VAL CA C 37 61.330 61.330 61.605 -0.275 25460 4589 1 11 . 1 1 37 37 VAL CB C 37 35.050 35.050 32.606 2.444 25460 4590 1 11 . 1 1 37 37 VAL H H 37 8.603 8.603 8.802 -0.199 25460 4591 1 11 . 1 1 38 38 LEU N N 38 130.470 130.470 130.501 -0.031 25460 4592 1 11 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.264 -0.495 25460 4593 1 11 . 1 1 38 38 LEU C C 38 176.510 176.510 175.932 0.578 25460 4594 1 11 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.515 0.855 25460 4595 1 11 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.389 0.431 25460 4596 1 11 . 1 1 38 38 LEU H H 38 8.708 8.708 8.846 -0.138 25460 4597 1 11 . 1 1 39 39 LEU N N 39 126.440 126.440 129.180 -2.740 25460 4598 1 11 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.376 0.251 25460 4599 1 11 . 1 1 39 39 LEU C C 39 176.800 176.800 177.361 -0.561 25460 4600 1 11 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.188 -0.458 25460 4601 1 11 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.963 -0.633 25460 4602 1 11 . 1 1 39 39 LEU H H 39 9.254 9.254 9.104 0.150 25460 4603 1 11 . 1 1 40 40 MET N N 40 114.550 114.550 111.326 3.224 25460 4604 1 11 . 1 1 40 40 MET HA H 40 4.471 4.471 4.665 -0.194 25460 4605 1 11 . 1 1 40 40 MET C C 40 173.750 173.750 173.594 0.156 25460 4606 1 11 . 1 1 40 40 MET CA C 40 56.040 56.040 54.857 1.183 25460 4607 1 11 . 1 1 40 40 MET CB C 40 36.880 36.880 35.057 1.823 25460 4608 1 11 . 1 1 40 40 MET H H 40 7.054 7.054 7.534 -0.480 25460 4609 1 11 . 1 1 41 41 TYR N N 41 123.270 123.270 119.506 3.764 25460 4610 1 11 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.344 -0.531 25460 4611 1 11 . 1 1 41 41 TYR C C 41 175.680 175.680 176.099 -0.419 25460 4612 1 11 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.128 0.812 25460 4613 1 11 . 1 1 41 41 TYR CB C 41 39.460 39.460 38.651 0.809 25460 4614 1 11 . 1 1 41 41 TYR H H 41 8.563 8.563 8.459 0.104 25460 4615 1 11 . 1 1 42 42 VAL N N 42 123.930 123.930 124.536 -0.606 25460 4616 1 11 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.460 -0.051 25460 4617 1 11 . 1 1 42 42 VAL C C 42 175.600 175.600 175.292 0.308 25460 4618 1 11 . 1 1 42 42 VAL CA C 42 61.480 61.480 61.276 0.204 25460 4619 1 11 . 1 1 42 42 VAL CB C 42 35.310 35.310 34.105 1.205 25460 4620 1 11 . 1 1 42 42 VAL H H 42 9.442 9.442 9.061 0.381 25460 4621 1 11 . 1 1 43 43 ARG N N 43 129.290 129.290 128.159 1.131 25460 4622 1 11 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.403 -0.479 25460 4623 1 11 . 1 1 43 43 ARG C C 43 177.010 177.010 176.717 0.293 25460 4624 1 11 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.676 1.084 25460 4625 1 11 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.492 -0.512 25460 4626 1 11 . 1 1 43 43 ARG H H 43 8.940 8.940 8.976 -0.036 25460 4627 1 11 . 1 1 44 44 ILE N N 44 128.260 128.260 126.491 1.769 25460 4628 1 11 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.710 -0.024 25460 4629 1 11 . 1 1 44 44 ILE C C 44 177.020 177.020 176.874 0.146 25460 4630 1 11 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.775 2.155 25460 4631 1 11 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.285 1.954 25460 4632 1 11 . 1 1 44 44 ILE H H 44 8.345 8.345 8.305 0.040 25460 4633 1 11 . 1 1 45 45 GLY N N 45 115.530 115.530 116.502 -0.972 25460 4634 1 11 . 1 1 45 45 GLY C C 45 174.860 174.860 173.930 0.930 25460 4635 1 11 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.805 -0.565 25460 4636 1 11 . 1 1 45 45 GLY H H 45 9.423 9.423 9.070 0.353 25460 4637 1 11 . 1 1 46 46 THR N N 46 111.410 111.410 113.398 -1.988 25460 4638 1 11 . 1 1 46 46 THR HA H 46 4.974 4.974 4.657 0.317 25460 4639 1 11 . 1 1 46 46 THR C C 46 172.310 172.310 173.773 -1.463 25460 4640 1 11 . 1 1 46 46 THR CA C 46 60.280 60.280 60.089 0.191 25460 4641 1 11 . 1 1 46 46 THR CB C 46 72.160 72.160 70.929 1.231 25460 4642 1 11 . 1 1 46 46 THR H H 46 7.925 7.925 7.927 -0.002 25460 4643 1 11 . 1 1 47 47 THR N N 47 109.430 109.430 112.741 -3.311 25460 4644 1 11 . 1 1 47 47 THR HA H 47 5.383 5.383 5.146 0.237 25460 4645 1 11 . 1 1 47 47 THR C C 47 174.560 174.560 173.990 0.570 25460 4646 1 11 . 1 1 47 47 THR CA C 47 59.240 59.240 60.433 -1.193 25460 4647 1 11 . 1 1 47 47 THR CB C 47 71.840 71.840 70.647 1.193 25460 4648 1 11 . 1 1 47 47 THR H H 47 7.784 7.784 8.264 -0.480 25460 4649 1 11 . 1 1 48 48 ALA N N 48 122.630 122.630 126.337 -3.707 25460 4650 1 11 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.700 -0.042 25460 4651 1 11 . 1 1 48 48 ALA C C 48 175.620 175.620 175.419 0.201 25460 4652 1 11 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.660 -0.060 25460 4653 1 11 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.038 2.372 25460 4654 1 11 . 1 1 48 48 ALA H H 48 8.681 8.681 9.089 -0.408 25460 4655 1 11 . 1 1 49 49 THR N N 49 116.020 116.020 117.971 -1.951 25460 4656 1 11 . 1 1 49 49 THR HA H 49 4.914 4.914 4.851 0.063 25460 4657 1 11 . 1 1 49 49 THR C C 49 174.400 174.400 173.780 0.620 25460 4658 1 11 . 1 1 49 49 THR CA C 49 62.320 62.320 61.863 0.457 25460 4659 1 11 . 1 1 49 49 THR CB C 49 69.260 69.260 68.922 0.338 25460 4660 1 11 . 1 1 49 49 THR H H 49 8.347 8.347 8.447 -0.100 25460 4661 1 11 . 1 1 50 50 ILE N N 50 126.050 126.050 128.818 -2.768 25460 4662 1 11 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.254 0.182 25460 4663 1 11 . 1 1 50 50 ILE C C 50 175.080 175.080 175.389 -0.309 25460 4664 1 11 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.878 0.632 25460 4665 1 11 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.157 1.513 25460 4666 1 11 . 1 1 50 50 ILE H H 50 9.199 9.199 9.101 0.098 25460 4667 1 11 . 1 1 51 51 THR N N 51 120.630 120.630 122.546 -1.916 25460 4668 1 11 . 1 1 51 51 THR HA H 51 5.312 5.312 5.491 -0.179 25460 4669 1 11 . 1 1 51 51 THR C C 51 174.250 174.250 173.249 1.001 25460 4670 1 11 . 1 1 51 51 THR CA C 51 61.030 61.030 61.328 -0.298 25460 4671 1 11 . 1 1 51 51 THR CB C 51 69.850 69.850 69.946 -0.096 25460 4672 1 11 . 1 1 51 51 THR H H 51 8.500 8.500 8.570 -0.070 25460 4673 1 11 . 1 1 52 52 ALA N N 52 127.710 127.710 127.124 0.586 25460 4674 1 11 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.820 -0.109 25460 4675 1 11 . 1 1 52 52 ALA C C 52 176.530 176.530 176.776 -0.246 25460 4676 1 11 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.507 0.473 25460 4677 1 11 . 1 1 52 52 ALA CB C 52 22.720 22.720 22.324 0.396 25460 4678 1 11 . 1 1 52 52 ALA H H 52 9.202 9.202 9.326 -0.124 25460 4679 1 11 . 1 1 53 53 ARG N N 53 118.780 118.780 122.647 -3.867 25460 4680 1 11 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.973 -0.117 25460 4681 1 11 . 1 1 53 53 ARG C C 53 177.070 177.070 176.240 0.830 25460 4682 1 11 . 1 1 53 53 ARG CA C 53 57.030 57.030 57.537 -0.507 25460 4683 1 11 . 1 1 53 53 ARG CB C 53 27.040 27.040 28.477 -1.437 25460 4684 1 11 . 1 1 53 53 ARG H H 53 9.303 9.303 9.458 -0.155 25460 4685 1 11 . 1 1 54 54 GLY N N 54 104.070 104.070 104.424 -0.354 25460 4686 1 11 . 1 1 54 54 GLY C C 54 174.110 174.110 174.363 -0.253 25460 4687 1 11 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.031 0.329 25460 4688 1 11 . 1 1 54 54 GLY H H 54 8.714 8.714 8.509 0.205 25460 4689 1 11 . 1 1 55 55 HIS N N 55 119.170 119.170 120.960 -1.790 25460 4690 1 11 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.588 0.188 25460 4691 1 11 . 1 1 55 55 HIS C C 55 172.310 172.310 173.613 -1.303 25460 4692 1 11 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.495 -1.465 25460 4693 1 11 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.380 0.720 25460 4694 1 11 . 1 1 55 55 HIS H H 55 8.227 8.227 8.199 0.028 25460 4695 1 11 . 1 1 56 56 GLU N N 56 119.640 119.640 122.111 -2.471 25460 4696 1 11 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.201 -0.114 25460 4697 1 11 . 1 1 56 56 GLU C C 56 176.150 176.150 175.516 0.634 25460 4698 1 11 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.242 -0.152 25460 4699 1 11 . 1 1 56 56 GLU CB C 56 31.780 31.780 31.040 0.740 25460 4700 1 11 . 1 1 56 56 GLU H H 56 8.024 8.024 8.580 -0.556 25460 4701 1 11 . 1 1 57 57 PHE N N 57 121.660 121.660 124.306 -2.646 25460 4702 1 11 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.759 0.015 25460 4703 1 11 . 1 1 57 57 PHE C C 57 173.930 173.930 174.551 -0.621 25460 4704 1 11 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.654 -0.184 25460 4705 1 11 . 1 1 57 57 PHE CB C 57 41.450 41.450 41.766 -0.315 25460 4706 1 11 . 1 1 57 57 PHE H H 57 9.219 9.219 9.360 -0.141 25460 4707 1 11 . 1 1 58 58 GLU N N 58 125.630 125.630 126.954 -1.324 25460 4708 1 11 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.843 0.381 25460 4709 1 11 . 1 1 58 58 GLU C C 58 175.820 175.820 175.698 0.122 25460 4710 1 11 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.646 -0.186 25460 4711 1 11 . 1 1 58 58 GLU CB C 58 29.950 29.950 30.298 -0.348 25460 4712 1 11 . 1 1 58 58 GLU H H 58 8.597 8.597 8.991 -0.394 25460 4713 1 11 . 1 1 59 59 VAL N N 59 120.690 120.690 120.775 -0.085 25460 4714 1 11 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.546 0.869 25460 4715 1 11 . 1 1 59 59 VAL C C 59 174.790 174.790 173.608 1.182 25460 4716 1 11 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.579 -1.029 25460 4717 1 11 . 1 1 59 59 VAL CB C 59 34.150 34.150 35.151 -1.001 25460 4718 1 11 . 1 1 59 59 VAL H H 59 8.809 8.809 8.950 -0.141 25460 4719 1 11 . 1 1 60 60 GLU N N 60 118.570 118.570 122.511 -3.941 25460 4720 1 11 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.927 -0.310 25460 4721 1 11 . 1 1 60 60 GLU C C 60 176.050 176.050 175.476 0.574 25460 4722 1 11 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.045 0.135 25460 4723 1 11 . 1 1 60 60 GLU CB C 60 32.050 32.050 33.538 -1.488 25460 4724 1 11 . 1 1 60 60 GLU H H 60 8.024 8.024 8.643 -0.619 25460 4725 1 11 . 1 1 61 61 ALA N N 61 132.630 132.630 131.896 0.734 25460 4726 1 11 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.508 0.191 25460 4727 1 11 . 1 1 61 61 ALA C C 61 176.260 176.260 177.529 -1.269 25460 4728 1 11 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.942 -1.422 25460 4729 1 11 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.737 -1.027 25460 4730 1 11 . 1 1 61 61 ALA H H 61 8.230 8.230 8.979 -0.749 25460 4731 1 11 . 1 1 62 62 LYS N N 62 126.080 126.080 123.770 2.310 25460 4732 1 11 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.209 -0.211 25460 4733 1 11 . 1 1 62 62 LYS C C 62 177.030 177.030 176.992 0.038 25460 4734 1 11 . 1 1 62 62 LYS CA C 62 59.590 59.590 58.313 1.277 25460 4735 1 11 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.936 1.604 25460 4736 1 11 . 1 1 62 62 LYS H H 62 9.070 9.070 8.262 0.808 25460 4737 1 11 . 1 1 63 63 ASP N N 63 110.550 110.550 117.443 -6.893 25460 4738 1 11 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.899 -0.513 25460 4739 1 11 . 1 1 63 63 ASP C C 63 175.810 175.810 176.078 -0.268 25460 4740 1 11 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.589 0.561 25460 4741 1 11 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.627 -2.377 25460 4742 1 11 . 1 1 63 63 ASP H H 63 7.507 7.507 7.562 -0.055 25460 4743 1 11 . 1 1 64 64 GLN N N 64 112.740 112.740 122.159 -9.419 25460 4744 1 11 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.153 -0.053 25460 4745 1 11 . 1 1 64 64 GLN C C 64 175.950 175.950 175.973 -0.023 25460 4746 1 11 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.201 0.489 25460 4747 1 11 . 1 1 64 64 GLN CB C 64 27.840 27.840 27.887 -0.047 25460 4748 1 11 . 1 1 64 64 GLN H H 64 8.410 8.410 8.816 -0.406 25460 4749 1 11 . 1 1 65 65 ASN N N 65 117.790 117.790 117.180 0.610 25460 4750 1 11 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.756 -0.177 25460 4751 1 11 . 1 1 65 65 ASN C C 65 177.250 177.250 174.690 2.560 25460 4752 1 11 . 1 1 65 65 ASN CA C 65 55.120 55.120 52.761 2.359 25460 4753 1 11 . 1 1 65 65 ASN CB C 65 37.910 37.910 40.064 -2.154 25460 4754 1 11 . 1 1 65 65 ASN H H 65 8.747 8.747 8.112 0.635 25460 4755 1 11 . 1 1 66 66 CYS N N 66 112.640 112.640 116.372 -3.732 25460 4756 1 11 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.159 0.266 25460 4757 1 11 . 1 1 66 66 CYS C C 66 174.970 174.970 174.055 0.915 25460 4758 1 11 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.045 -3.916 25460 4759 1 11 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.504 11.656 25460 4760 1 11 . 1 1 66 66 CYS H H 66 8.527 8.527 7.896 0.631 25460 4761 1 11 . 1 1 67 67 LYS N N 67 116.240 116.240 122.499 -6.259 25460 4762 1 11 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.497 -0.320 25460 4763 1 11 . 1 1 67 67 LYS C C 67 178.480 178.480 175.146 3.334 25460 4764 1 11 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.507 2.353 25460 4765 1 11 . 1 1 67 67 LYS CB C 67 32.120 32.120 32.148 -0.028 25460 4766 1 11 . 1 1 67 67 LYS H H 67 8.014 8.014 7.866 0.148 25460 4767 1 11 . 1 1 68 68 VAL N N 68 126.980 126.980 126.993 -0.013 25460 4768 1 11 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.683 -1.008 25460 4769 1 11 . 1 1 68 68 VAL C C 68 174.460 174.460 174.093 0.367 25460 4770 1 11 . 1 1 68 68 VAL CA C 68 64.750 64.750 60.947 3.803 25460 4771 1 11 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.416 -2.256 25460 4772 1 11 . 1 1 68 68 VAL H H 68 8.967 8.967 8.187 0.780 25460 4773 1 11 . 1 1 69 69 ILE N N 69 132.540 132.540 129.257 3.283 25460 4774 1 11 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.647 -0.468 25460 4775 1 11 . 1 1 69 69 ILE C C 69 175.060 175.060 175.337 -0.277 25460 4776 1 11 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.596 0.964 25460 4777 1 11 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.998 0.492 25460 4778 1 11 . 1 1 69 69 ILE H H 69 8.689 8.689 7.861 0.828 25460 4779 1 11 . 1 1 70 70 LEU N N 70 125.290 125.290 125.148 0.142 25460 4780 1 11 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.592 0.706 25460 4781 1 11 . 1 1 70 70 LEU C C 70 180.800 180.800 179.102 1.698 25460 4782 1 11 . 1 1 70 70 LEU CA C 70 53.190 53.190 55.341 -2.151 25460 4783 1 11 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.203 -1.053 25460 4784 1 11 . 1 1 70 70 LEU H H 70 8.829 8.829 9.210 -0.381 25460 4785 1 11 . 1 1 71 71 THR N N 71 115.510 115.510 112.920 2.590 25460 4786 1 11 . 1 1 71 71 THR HA H 71 4.094 4.094 4.253 -0.159 25460 4787 1 11 . 1 1 71 71 THR C C 71 176.240 176.240 175.805 0.435 25460 4788 1 11 . 1 1 71 71 THR CA C 71 63.950 63.950 64.828 -0.878 25460 4789 1 11 . 1 1 71 71 THR CB C 71 68.280 68.280 68.722 -0.441 25460 4790 1 11 . 1 1 71 71 THR H H 71 8.546 8.546 8.441 0.105 25460 4791 1 11 . 1 1 72 72 ASN N N 72 117.010 117.010 118.643 -1.633 25460 4792 1 11 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.725 -0.161 25460 4793 1 11 . 1 1 72 72 ASN C C 72 177.340 177.340 176.068 1.272 25460 4794 1 11 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.710 -1.000 25460 4795 1 11 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.778 -1.558 25460 4796 1 11 . 1 1 72 72 ASN H H 72 8.162 8.162 8.296 -0.134 25460 4797 1 11 . 1 1 73 73 GLY N N 73 106.660 106.660 106.911 -0.251 25460 4798 1 11 . 1 1 73 73 GLY C C 73 175.020 175.020 173.647 1.373 25460 4799 1 11 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.423 0.277 25460 4800 1 11 . 1 1 73 73 GLY H H 73 7.985 7.985 7.849 0.136 25460 4801 1 11 . 1 1 74 74 LYS N N 74 120.730 120.730 119.556 1.174 25460 4802 1 11 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.605 -0.307 25460 4803 1 11 . 1 1 74 74 LYS C C 74 175.720 175.720 175.788 -0.068 25460 4804 1 11 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.411 1.319 25460 4805 1 11 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.472 -0.982 25460 4806 1 11 . 1 1 74 74 LYS H H 74 7.820 7.820 8.007 -0.187 25460 4807 1 11 . 1 1 75 75 GLN N N 75 119.590 119.590 120.732 -1.142 25460 4808 1 11 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.415 -0.259 25460 4809 1 11 . 1 1 75 75 GLN C C 75 176.490 176.490 176.054 0.436 25460 4810 1 11 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.716 -0.136 25460 4811 1 11 . 1 1 75 75 GLN CB C 75 29.020 29.020 29.959 -0.939 25460 4812 1 11 . 1 1 75 75 GLN H H 75 8.273 8.273 8.601 -0.328 25460 4813 1 11 . 1 1 76 76 ALA N N 76 129.340 129.340 126.360 2.980 25460 4814 1 11 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.305 -0.139 25460 4815 1 11 . 1 1 76 76 ALA C C 76 174.920 174.920 175.872 -0.952 25460 4816 1 11 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.477 -0.397 25460 4817 1 11 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.126 -0.246 25460 4818 1 11 . 1 1 76 76 ALA H H 76 8.698 8.698 8.020 0.678 25460 4819 1 11 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.365 -0.128 25460 4820 1 11 . 1 1 77 77 PRO C C 77 178.170 178.170 176.683 1.487 25460 4821 1 11 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.963 0.207 25460 4822 1 11 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.863 -0.393 25460 4823 1 11 . 1 1 78 78 ASP N N 78 121.040 121.040 120.244 0.796 25460 4824 1 11 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.227 -0.010 25460 4825 1 11 . 1 1 78 78 ASP C C 78 176.610 176.610 176.812 -0.202 25460 4826 1 11 . 1 1 78 78 ASP CA C 78 56.500 56.500 57.122 -0.622 25460 4827 1 11 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.547 -0.018 25460 4828 1 11 . 1 1 78 78 ASP H H 78 8.607 8.607 8.536 0.071 25460 4829 1 11 . 1 1 79 79 TRP N N 79 114.440 114.440 114.551 -0.111 25460 4830 1 11 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.657 -0.165 25460 4831 1 11 . 1 1 79 79 TRP C C 79 175.280 175.280 175.609 -0.329 25460 4832 1 11 . 1 1 79 79 TRP CA C 79 54.630 54.630 56.013 -1.383 25460 4833 1 11 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.261 -0.121 25460 4834 1 11 . 1 1 79 79 TRP H H 79 6.768 6.768 7.581 -0.813 25460 4835 1 11 . 1 1 80 80 LEU N N 80 123.450 123.450 123.881 -0.431 25460 4836 1 11 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.749 0.012 25460 4837 1 11 . 1 1 80 80 LEU C C 80 174.270 174.270 175.521 -1.251 25460 4838 1 11 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.630 1.220 25460 4839 1 11 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.277 0.613 25460 4840 1 11 . 1 1 80 80 LEU H H 80 6.577 6.577 6.826 -0.249 25460 4841 1 11 . 1 1 81 81 ALA N N 81 130.910 130.910 130.469 0.441 25460 4842 1 11 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.697 -0.030 25460 4843 1 11 . 1 1 81 81 ALA C C 81 175.210 175.210 175.456 -0.246 25460 4844 1 11 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.886 -0.576 25460 4845 1 11 . 1 1 81 81 ALA CB C 81 23.270 23.270 21.744 1.526 25460 4846 1 11 . 1 1 81 81 ALA H H 81 9.037 9.037 8.889 0.148 25460 4847 1 11 . 1 1 82 82 ALA N N 82 119.120 119.120 126.212 -7.092 25460 4848 1 11 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.037 0.640 25460 4849 1 11 . 1 1 82 82 ALA C C 82 177.280 177.280 176.293 0.987 25460 4850 1 11 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.252 0.758 25460 4851 1 11 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.378 0.862 25460 4852 1 11 . 1 1 82 82 ALA H H 82 8.159 8.159 8.455 -0.296 25460 4853 1 11 . 1 1 83 83 GLU N N 83 116.910 116.910 122.767 -5.857 25460 4854 1 11 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.886 0.052 25460 4855 1 11 . 1 1 83 83 GLU C C 83 172.560 172.560 174.488 -1.928 25460 4856 1 11 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.667 0.342 25460 4857 1 11 . 1 1 83 83 GLU CB C 83 32.470 32.470 32.708 -0.238 25460 4858 1 11 . 1 1 83 83 GLU H H 83 8.614 8.614 8.449 0.165 25460 4859 1 11 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.593 0.920 25460 4860 1 11 . 1 1 84 84 PRO C C 84 177.340 177.340 175.922 1.418 25460 4861 1 11 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.291 -0.361 25460 4862 1 11 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.918 0.502 25460 4863 1 12 . 1 1 8 8 GLY N N 8 110.720 110.720 113.998 -3.278 25460 4864 1 12 . 1 1 8 8 GLY C C 8 174.650 174.650 173.675 0.975 25460 4865 1 12 . 1 1 8 8 GLY CA C 8 45.470 45.470 45.955 -0.485 25460 4866 1 12 . 1 1 8 8 GLY H H 8 8.462 8.462 8.508 -0.046 25460 4867 1 12 . 1 1 9 9 ARG N N 9 120.430 120.430 124.485 -4.055 25460 4868 1 12 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.563 -0.245 25460 4869 1 12 . 1 1 9 9 ARG C C 9 176.790 176.790 175.333 1.457 25460 4870 1 12 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.611 0.729 25460 4871 1 12 . 1 1 9 9 ARG CB C 9 30.530 30.530 28.689 1.841 25460 4872 1 12 . 1 1 9 9 ARG H H 9 8.206 8.206 8.381 -0.175 25460 4873 1 12 . 1 1 10 10 GLU N N 10 121.220 121.220 123.575 -2.355 25460 4874 1 12 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.436 -0.227 25460 4875 1 12 . 1 1 10 10 GLU C C 10 176.600 176.600 174.755 1.845 25460 4876 1 12 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.699 0.571 25460 4877 1 12 . 1 1 10 10 GLU CB C 10 29.780 29.780 31.133 -1.353 25460 4878 1 12 . 1 1 10 10 GLU H H 10 8.562 8.562 8.055 0.507 25460 4879 1 12 . 1 1 11 11 ASN N N 11 118.900 118.900 124.294 -5.394 25460 4880 1 12 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.824 -0.154 25460 4881 1 12 . 1 1 11 11 ASN C C 11 175.420 175.420 174.131 1.289 25460 4882 1 12 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.561 0.889 25460 4883 1 12 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.744 -0.034 25460 4884 1 12 . 1 1 11 11 ASN H H 11 8.337 8.337 8.418 -0.081 25460 4885 1 12 . 1 1 12 12 LEU N N 12 121.830 121.830 125.837 -4.007 25460 4886 1 12 . 1 1 12 12 LEU HA H 12 4.192 4.192 3.970 0.222 25460 4887 1 12 . 1 1 12 12 LEU C C 12 177.290 177.290 175.815 1.475 25460 4888 1 12 . 1 1 12 12 LEU CA C 12 55.630 55.630 55.183 0.447 25460 4889 1 12 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.829 0.431 25460 4890 1 12 . 1 1 12 12 LEU H H 12 7.988 7.988 7.987 0.001 25460 4891 1 12 . 1 1 13 13 TYR N N 13 119.550 119.550 125.505 -5.955 25460 4892 1 12 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.304 0.194 25460 4893 1 12 . 1 1 13 13 TYR C C 13 175.950 175.950 175.923 0.027 25460 4894 1 12 . 1 1 13 13 TYR CA C 13 57.930 57.930 58.052 -0.122 25460 4895 1 12 . 1 1 13 13 TYR CB C 13 38.590 38.590 39.256 -0.666 25460 4896 1 12 . 1 1 13 13 TYR H H 13 7.966 7.966 7.940 0.026 25460 4897 1 12 . 1 1 14 14 PHE N N 14 121.130 121.130 123.865 -2.735 25460 4898 1 12 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.815 -0.291 25460 4899 1 12 . 1 1 14 14 PHE C C 14 175.820 175.820 175.088 0.732 25460 4900 1 12 . 1 1 14 14 PHE CA C 14 57.950 57.950 57.313 0.637 25460 4901 1 12 . 1 1 14 14 PHE CB C 14 39.510 39.510 39.243 0.267 25460 4902 1 12 . 1 1 14 14 PHE H H 14 8.006 8.006 8.539 -0.533 25460 4903 1 12 . 1 1 15 15 GLN N N 15 121.840 121.840 124.321 -2.481 25460 4904 1 12 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.449 -0.264 25460 4905 1 12 . 1 1 15 15 GLN C C 15 176.420 176.420 175.444 0.976 25460 4906 1 12 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.747 0.433 25460 4907 1 12 . 1 1 15 15 GLN CB C 15 29.110 29.110 29.948 -0.838 25460 4908 1 12 . 1 1 15 15 GLN H H 15 8.217 8.217 8.661 -0.444 25460 4909 1 12 . 1 1 16 16 GLY N N 16 108.430 108.430 115.155 -6.725 25460 4910 1 12 . 1 1 16 16 GLY C C 16 174.140 174.140 173.433 0.707 25460 4911 1 12 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.376 -0.066 25460 4912 1 12 . 1 1 16 16 GLY H H 16 7.907 7.907 8.739 -0.832 25460 4913 1 12 . 1 1 17 17 HIS N N 17 117.990 117.990 116.588 1.402 25460 4914 1 12 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.888 -1.011 25460 4915 1 12 . 1 1 17 17 HIS C C 17 174.610 174.610 173.667 0.943 25460 4916 1 12 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.108 0.322 25460 4917 1 12 . 1 1 17 17 HIS CB C 17 29.280 29.280 30.773 -1.493 25460 4918 1 12 . 1 1 17 17 HIS H H 17 8.250 8.250 7.781 0.469 25460 4919 1 12 . 1 1 18 18 MET N N 18 121.430 121.430 120.363 1.067 25460 4920 1 12 . 1 1 18 18 MET HA H 18 4.395 4.395 4.728 -0.333 25460 4921 1 12 . 1 1 18 18 MET C C 18 175.750 175.750 175.692 0.058 25460 4922 1 12 . 1 1 18 18 MET CA C 18 55.660 55.660 55.030 0.630 25460 4923 1 12 . 1 1 18 18 MET CB C 18 32.740 32.740 34.405 -1.665 25460 4924 1 12 . 1 1 18 18 MET H H 18 8.320 8.320 8.555 -0.235 25460 4925 1 12 . 1 1 19 19 ALA N N 19 125.550 125.550 128.213 -2.663 25460 4926 1 12 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.564 -0.292 25460 4927 1 12 . 1 1 19 19 ALA C C 19 176.950 176.950 176.401 0.549 25460 4928 1 12 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.052 1.208 25460 4929 1 12 . 1 1 19 19 ALA CB C 19 19.130 19.130 17.408 1.722 25460 4930 1 12 . 1 1 19 19 ALA H H 19 8.262 8.262 8.906 -0.644 25460 4931 1 12 . 1 1 20 20 ALA N N 20 124.430 124.430 121.867 2.563 25460 4932 1 12 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.206 0.330 25460 4933 1 12 . 1 1 20 20 ALA C C 20 175.390 175.390 174.839 0.551 25460 4934 1 12 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.739 -1.639 25460 4935 1 12 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.956 0.464 25460 4936 1 12 . 1 1 20 20 ALA H H 20 8.083 8.083 7.389 0.694 25460 4937 1 12 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.499 -0.049 25460 4938 1 12 . 1 1 21 21 PRO C C 21 175.770 175.770 175.687 0.083 25460 4939 1 12 . 1 1 21 21 PRO CA C 21 55.520 55.520 62.775 -7.255 25460 4940 1 12 . 1 1 21 21 PRO CB C 21 32.960 32.960 30.341 2.619 25460 4941 1 12 . 1 1 22 22 ALA N N 22 124.420 124.420 128.002 -3.582 25460 4942 1 12 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.242 0.091 25460 4943 1 12 . 1 1 22 22 ALA C C 22 176.920 176.920 176.942 -0.022 25460 4944 1 12 . 1 1 22 22 ALA CA C 22 52.350 52.350 52.219 0.131 25460 4945 1 12 . 1 1 22 22 ALA CB C 22 19.190 19.190 20.545 -1.355 25460 4946 1 12 . 1 1 22 22 ALA H H 22 8.235 8.235 7.836 0.399 25460 4947 1 12 . 1 1 23 23 ARG N N 23 120.140 120.140 119.075 1.065 25460 4948 1 12 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.389 -0.046 25460 4949 1 12 . 1 1 23 23 ARG C C 23 176.220 176.220 174.735 1.485 25460 4950 1 12 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.053 0.946 25460 4951 1 12 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.436 2.054 25460 4952 1 12 . 1 1 23 23 ARG H H 23 9.271 9.271 8.730 0.541 25460 4953 1 12 . 1 1 24 24 PHE N N 24 119.130 119.130 117.507 1.623 25460 4954 1 12 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.593 -0.211 25460 4955 1 12 . 1 1 24 24 PHE C C 24 175.910 175.910 174.636 1.274 25460 4956 1 12 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.753 0.097 25460 4957 1 12 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.732 -0.172 25460 4958 1 12 . 1 1 24 24 PHE H H 24 9.270 9.270 7.962 1.308 25460 4959 1 12 . 1 1 25 25 CYS N N 25 116.300 116.300 119.029 -2.729 25460 4960 1 12 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.608 -0.289 25460 4961 1 12 . 1 1 25 25 CYS C C 25 172.990 172.990 173.789 -0.799 25460 4962 1 12 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.850 -3.650 25460 4963 1 12 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.849 8.890 25460 4964 1 12 . 1 1 25 25 CYS H H 25 9.254 9.254 9.303 -0.049 25460 4965 1 12 . 1 1 26 26 VAL N N 26 126.290 126.290 119.682 6.608 25460 4966 1 12 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.764 -0.382 25460 4967 1 12 . 1 1 26 26 VAL C C 26 174.520 174.520 174.489 0.031 25460 4968 1 12 . 1 1 26 26 VAL CA C 26 60.740 60.740 59.937 0.803 25460 4969 1 12 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.024 0.356 25460 4970 1 12 . 1 1 26 26 VAL H H 26 9.512 9.512 9.119 0.393 25460 4971 1 12 . 1 1 27 27 TYR N N 27 123.620 123.620 126.809 -3.189 25460 4972 1 12 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.571 -0.427 25460 4973 1 12 . 1 1 27 27 TYR C C 27 175.400 175.400 175.361 0.039 25460 4974 1 12 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.286 0.814 25460 4975 1 12 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.951 -0.091 25460 4976 1 12 . 1 1 27 27 TYR H H 27 8.240 8.240 8.727 -0.487 25460 4977 1 12 . 1 1 28 28 TYR N N 28 119.740 119.740 119.957 -0.217 25460 4978 1 12 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.328 -0.055 25460 4979 1 12 . 1 1 28 28 TYR C C 28 174.590 174.590 175.042 -0.452 25460 4980 1 12 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.251 0.649 25460 4981 1 12 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.410 1.681 25460 4982 1 12 . 1 1 28 28 TYR H H 28 9.448 9.448 9.405 0.043 25460 4983 1 12 . 1 1 29 29 ASP N N 29 118.650 118.650 123.032 -4.382 25460 4984 1 12 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.043 0.212 25460 4985 1 12 . 1 1 29 29 ASP C C 29 177.670 177.670 176.089 1.581 25460 4986 1 12 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.514 -1.714 25460 4987 1 12 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.694 -0.344 25460 4988 1 12 . 1 1 29 29 ASP H H 29 8.995 8.995 9.036 -0.041 25460 4989 1 12 . 1 1 30 30 GLY N N 30 114.740 114.740 114.433 0.307 25460 4990 1 12 . 1 1 30 30 GLY C C 30 173.320 173.320 172.577 0.743 25460 4991 1 12 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.062 -0.952 25460 4992 1 12 . 1 1 30 30 GLY H H 30 9.046 9.046 8.797 0.249 25460 4993 1 12 . 1 1 31 31 HIS N N 31 113.880 113.880 116.451 -2.571 25460 4994 1 12 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.610 -0.117 25460 4995 1 12 . 1 1 31 31 HIS C C 31 175.230 175.230 174.226 1.004 25460 4996 1 12 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.450 0.530 25460 4997 1 12 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.073 0.557 25460 4998 1 12 . 1 1 31 31 HIS H H 31 8.306 8.306 8.533 -0.227 25460 4999 1 12 . 1 1 32 32 LEU N N 32 124.060 124.060 122.662 1.398 25460 5000 1 12 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.482 0.342 25460 5001 1 12 . 1 1 32 32 LEU C C 32 176.030 176.030 175.654 0.376 25460 5002 1 12 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.709 1.371 25460 5003 1 12 . 1 1 32 32 LEU CB C 32 41.540 41.540 42.882 -1.342 25460 5004 1 12 . 1 1 32 32 LEU H H 32 8.477 8.477 7.565 0.912 25460 5005 1 12 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.018 -0.265 25460 5006 1 12 . 1 1 33 33 PRO C C 33 177.880 177.880 177.790 0.090 25460 5007 1 12 . 1 1 33 33 PRO CA C 33 65.500 65.500 65.321 0.179 25460 5008 1 12 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.803 -0.033 25460 5009 1 12 . 1 1 34 34 ALA N N 34 115.220 115.220 118.701 -3.481 25460 5010 1 12 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.223 -0.030 25460 5011 1 12 . 1 1 34 34 ALA C C 34 179.120 179.120 178.999 0.121 25460 5012 1 12 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.915 0.695 25460 5013 1 12 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.406 1.024 25460 5014 1 12 . 1 1 34 34 ALA H H 34 8.193 8.193 7.707 0.486 25460 5015 1 12 . 1 1 35 35 THR N N 35 102.120 102.120 113.320 -11.200 25460 5016 1 12 . 1 1 35 35 THR HA H 35 4.597 4.597 4.273 0.324 25460 5017 1 12 . 1 1 35 35 THR C C 35 175.610 175.610 174.668 0.942 25460 5018 1 12 . 1 1 35 35 THR CA C 35 60.400 60.400 62.294 -1.894 25460 5019 1 12 . 1 1 35 35 THR CB C 35 70.550 70.550 68.639 1.911 25460 5020 1 12 . 1 1 35 35 THR H H 35 7.187 7.187 7.812 -0.625 25460 5021 1 12 . 1 1 36 36 ARG N N 36 122.520 122.520 121.000 1.520 25460 5022 1 12 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.589 0.174 25460 5023 1 12 . 1 1 36 36 ARG C C 36 175.220 175.220 175.912 -0.692 25460 5024 1 12 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.380 0.710 25460 5025 1 12 . 1 1 36 36 ARG CB C 36 29.880 29.880 31.268 -1.388 25460 5026 1 12 . 1 1 36 36 ARG H H 36 7.918 7.918 7.465 0.453 25460 5027 1 12 . 1 1 37 37 VAL N N 37 122.110 122.110 123.373 -1.263 25460 5028 1 12 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.450 -0.109 25460 5029 1 12 . 1 1 37 37 VAL C C 37 175.690 175.690 174.907 0.783 25460 5030 1 12 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.272 1.058 25460 5031 1 12 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.374 1.676 25460 5032 1 12 . 1 1 37 37 VAL H H 37 8.603 8.603 8.818 -0.215 25460 5033 1 12 . 1 1 38 38 LEU N N 38 130.470 130.470 130.309 0.161 25460 5034 1 12 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.006 -0.237 25460 5035 1 12 . 1 1 38 38 LEU C C 38 176.510 176.510 176.286 0.224 25460 5036 1 12 . 1 1 38 38 LEU CA C 38 57.370 57.370 55.823 1.547 25460 5037 1 12 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.122 0.698 25460 5038 1 12 . 1 1 38 38 LEU H H 38 8.708 8.708 8.883 -0.175 25460 5039 1 12 . 1 1 39 39 LEU N N 39 126.440 126.440 129.510 -3.070 25460 5040 1 12 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.261 0.366 25460 5041 1 12 . 1 1 39 39 LEU C C 39 176.800 176.800 177.285 -0.485 25460 5042 1 12 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.452 -0.722 25460 5043 1 12 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.807 -0.477 25460 5044 1 12 . 1 1 39 39 LEU H H 39 9.254 9.254 9.061 0.193 25460 5045 1 12 . 1 1 40 40 MET N N 40 114.550 114.550 111.201 3.349 25460 5046 1 12 . 1 1 40 40 MET HA H 40 4.471 4.471 4.593 -0.122 25460 5047 1 12 . 1 1 40 40 MET C C 40 173.750 173.750 173.667 0.083 25460 5048 1 12 . 1 1 40 40 MET CA C 40 56.040 56.040 54.615 1.425 25460 5049 1 12 . 1 1 40 40 MET CB C 40 36.880 36.880 35.150 1.730 25460 5050 1 12 . 1 1 40 40 MET H H 40 7.054 7.054 7.482 -0.428 25460 5051 1 12 . 1 1 41 41 TYR N N 41 123.270 123.270 118.537 4.733 25460 5052 1 12 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.606 -0.793 25460 5053 1 12 . 1 1 41 41 TYR C C 41 175.680 175.680 176.513 -0.833 25460 5054 1 12 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.370 0.570 25460 5055 1 12 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.894 -0.434 25460 5056 1 12 . 1 1 41 41 TYR H H 41 8.563 8.563 8.372 0.191 25460 5057 1 12 . 1 1 42 42 VAL N N 42 123.930 123.930 121.807 2.123 25460 5058 1 12 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.482 -0.073 25460 5059 1 12 . 1 1 42 42 VAL C C 42 175.600 175.600 174.781 0.819 25460 5060 1 12 . 1 1 42 42 VAL CA C 42 61.480 61.480 61.019 0.461 25460 5061 1 12 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.351 -0.041 25460 5062 1 12 . 1 1 42 42 VAL H H 42 9.442 9.442 9.369 0.073 25460 5063 1 12 . 1 1 43 43 ARG N N 43 129.290 129.290 128.259 1.031 25460 5064 1 12 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.017 -0.093 25460 5065 1 12 . 1 1 43 43 ARG C C 43 177.010 177.010 176.079 0.931 25460 5066 1 12 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.506 1.254 25460 5067 1 12 . 1 1 43 43 ARG CB C 43 29.980 29.980 29.970 0.011 25460 5068 1 12 . 1 1 43 43 ARG H H 43 8.940 8.940 8.917 0.023 25460 5069 1 12 . 1 1 44 44 ILE N N 44 128.260 128.260 127.133 1.127 25460 5070 1 12 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.792 -0.106 25460 5071 1 12 . 1 1 44 44 ILE C C 44 177.020 177.020 176.109 0.911 25460 5072 1 12 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.947 1.983 25460 5073 1 12 . 1 1 44 44 ILE CB C 44 37.240 37.240 37.008 0.232 25460 5074 1 12 . 1 1 44 44 ILE H H 44 8.345 8.345 8.333 0.012 25460 5075 1 12 . 1 1 45 45 GLY N N 45 115.530 115.530 114.887 0.643 25460 5076 1 12 . 1 1 45 45 GLY C C 45 174.860 174.860 173.542 1.318 25460 5077 1 12 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.638 -0.397 25460 5078 1 12 . 1 1 45 45 GLY H H 45 9.423 9.423 9.057 0.366 25460 5079 1 12 . 1 1 46 46 THR N N 46 111.410 111.410 113.237 -1.827 25460 5080 1 12 . 1 1 46 46 THR HA H 46 4.974 4.974 4.734 0.240 25460 5081 1 12 . 1 1 46 46 THR C C 46 172.310 172.310 173.713 -1.403 25460 5082 1 12 . 1 1 46 46 THR CA C 46 60.280 60.280 59.611 0.669 25460 5083 1 12 . 1 1 46 46 THR CB C 46 72.160 72.160 71.094 1.066 25460 5084 1 12 . 1 1 46 46 THR H H 46 7.925 7.925 7.977 -0.052 25460 5085 1 12 . 1 1 47 47 THR N N 47 109.430 109.430 112.175 -2.745 25460 5086 1 12 . 1 1 47 47 THR HA H 47 5.383 5.383 5.161 0.222 25460 5087 1 12 . 1 1 47 47 THR C C 47 174.560 174.560 173.763 0.797 25460 5088 1 12 . 1 1 47 47 THR CA C 47 59.240 59.240 60.351 -1.111 25460 5089 1 12 . 1 1 47 47 THR CB C 47 71.840 71.840 70.650 1.190 25460 5090 1 12 . 1 1 47 47 THR H H 47 7.784 7.784 8.336 -0.552 25460 5091 1 12 . 1 1 48 48 ALA N N 48 122.630 122.630 124.181 -1.551 25460 5092 1 12 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.677 -0.019 25460 5093 1 12 . 1 1 48 48 ALA C C 48 175.620 175.620 175.140 0.480 25460 5094 1 12 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.907 -0.307 25460 5095 1 12 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.085 2.325 25460 5096 1 12 . 1 1 48 48 ALA H H 48 8.681 8.681 8.824 -0.143 25460 5097 1 12 . 1 1 49 49 THR N N 49 116.020 116.020 118.209 -2.189 25460 5098 1 12 . 1 1 49 49 THR HA H 49 4.914 4.914 4.934 -0.020 25460 5099 1 12 . 1 1 49 49 THR C C 49 174.400 174.400 174.008 0.392 25460 5100 1 12 . 1 1 49 49 THR CA C 49 62.320 62.320 61.998 0.322 25460 5101 1 12 . 1 1 49 49 THR CB C 49 69.260 69.260 69.107 0.153 25460 5102 1 12 . 1 1 49 49 THR H H 49 8.347 8.347 8.374 -0.027 25460 5103 1 12 . 1 1 50 50 ILE N N 50 126.050 126.050 128.941 -2.891 25460 5104 1 12 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.278 0.158 25460 5105 1 12 . 1 1 50 50 ILE C C 50 175.080 175.080 175.719 -0.639 25460 5106 1 12 . 1 1 50 50 ILE CA C 50 59.510 59.510 59.158 0.352 25460 5107 1 12 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.109 1.561 25460 5108 1 12 . 1 1 50 50 ILE H H 50 9.199 9.199 9.046 0.154 25460 5109 1 12 . 1 1 51 51 THR N N 51 120.630 120.630 122.491 -1.861 25460 5110 1 12 . 1 1 51 51 THR HA H 51 5.312 5.312 5.461 -0.149 25460 5111 1 12 . 1 1 51 51 THR C C 51 174.250 174.250 173.381 0.869 25460 5112 1 12 . 1 1 51 51 THR CA C 51 61.030 61.030 61.298 -0.268 25460 5113 1 12 . 1 1 51 51 THR CB C 51 69.850 69.850 70.205 -0.355 25460 5114 1 12 . 1 1 51 51 THR H H 51 8.500 8.500 8.578 -0.078 25460 5115 1 12 . 1 1 52 52 ALA N N 52 127.710 127.710 127.410 0.300 25460 5116 1 12 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.986 -0.275 25460 5117 1 12 . 1 1 52 52 ALA C C 52 176.530 176.530 176.875 -0.345 25460 5118 1 12 . 1 1 52 52 ALA CA C 52 51.980 51.980 50.949 1.031 25460 5119 1 12 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.602 1.118 25460 5120 1 12 . 1 1 52 52 ALA H H 52 9.202 9.202 9.156 0.046 25460 5121 1 12 . 1 1 53 53 ARG N N 53 118.780 118.780 122.359 -3.579 25460 5122 1 12 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.862 -0.006 25460 5123 1 12 . 1 1 53 53 ARG C C 53 177.070 177.070 175.582 1.488 25460 5124 1 12 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.569 0.461 25460 5125 1 12 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.759 -0.719 25460 5126 1 12 . 1 1 53 53 ARG H H 53 9.303 9.303 9.231 0.072 25460 5127 1 12 . 1 1 54 54 GLY N N 54 104.070 104.070 102.989 1.081 25460 5128 1 12 . 1 1 54 54 GLY C C 54 174.110 174.110 174.141 -0.031 25460 5129 1 12 . 1 1 54 54 GLY CA C 54 45.360 45.360 44.938 0.422 25460 5130 1 12 . 1 1 54 54 GLY H H 54 8.714 8.714 8.320 0.394 25460 5131 1 12 . 1 1 55 55 HIS N N 55 119.170 119.170 121.582 -2.412 25460 5132 1 12 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.432 0.344 25460 5133 1 12 . 1 1 55 55 HIS C C 55 172.310 172.310 173.937 -1.627 25460 5134 1 12 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.867 -1.837 25460 5135 1 12 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.141 1.959 25460 5136 1 12 . 1 1 55 55 HIS H H 55 8.227 8.227 8.127 0.100 25460 5137 1 12 . 1 1 56 56 GLU N N 56 119.640 119.640 122.845 -3.205 25460 5138 1 12 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.062 0.025 25460 5139 1 12 . 1 1 56 56 GLU C C 56 176.150 176.150 175.627 0.523 25460 5140 1 12 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.090 -0.000 25460 5141 1 12 . 1 1 56 56 GLU CB C 56 31.780 31.780 31.016 0.764 25460 5142 1 12 . 1 1 56 56 GLU H H 56 8.024 8.024 8.571 -0.547 25460 5143 1 12 . 1 1 57 57 PHE N N 57 121.660 121.660 124.704 -3.044 25460 5144 1 12 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.754 0.020 25460 5145 1 12 . 1 1 57 57 PHE C C 57 173.930 173.930 174.702 -0.772 25460 5146 1 12 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.595 -0.125 25460 5147 1 12 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.490 0.960 25460 5148 1 12 . 1 1 57 57 PHE H H 57 9.219 9.219 9.265 -0.046 25460 5149 1 12 . 1 1 58 58 GLU N N 58 125.630 125.630 127.090 -1.460 25460 5150 1 12 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.551 0.673 25460 5151 1 12 . 1 1 58 58 GLU C C 58 175.820 175.820 175.638 0.182 25460 5152 1 12 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.812 -0.352 25460 5153 1 12 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.649 0.301 25460 5154 1 12 . 1 1 58 58 GLU H H 58 8.597 8.597 9.052 -0.455 25460 5155 1 12 . 1 1 59 59 VAL N N 59 120.690 120.690 121.582 -0.892 25460 5156 1 12 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.621 0.794 25460 5157 1 12 . 1 1 59 59 VAL C C 59 174.790 174.790 173.952 0.838 25460 5158 1 12 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.465 -0.915 25460 5159 1 12 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.833 -0.683 25460 5160 1 12 . 1 1 59 59 VAL H H 59 8.809 8.809 8.986 -0.177 25460 5161 1 12 . 1 1 60 60 GLU N N 60 118.570 118.570 124.695 -6.125 25460 5162 1 12 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.664 -0.047 25460 5163 1 12 . 1 1 60 60 GLU C C 60 176.050 176.050 174.959 1.091 25460 5164 1 12 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.436 -0.256 25460 5165 1 12 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.345 -0.295 25460 5166 1 12 . 1 1 60 60 GLU H H 60 8.024 8.024 9.011 -0.987 25460 5167 1 12 . 1 1 61 61 ALA N N 61 132.630 132.630 130.520 2.110 25460 5168 1 12 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.881 -0.182 25460 5169 1 12 . 1 1 61 61 ALA C C 61 176.260 176.260 176.820 -0.560 25460 5170 1 12 . 1 1 61 61 ALA CA C 61 50.520 50.520 50.702 -0.182 25460 5171 1 12 . 1 1 61 61 ALA CB C 61 17.710 17.710 19.901 -2.191 25460 5172 1 12 . 1 1 61 61 ALA H H 61 8.230 8.230 8.782 -0.552 25460 5173 1 12 . 1 1 62 62 LYS N N 62 126.080 126.080 123.141 2.939 25460 5174 1 12 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.316 -0.318 25460 5175 1 12 . 1 1 62 62 LYS C C 62 177.030 177.030 176.094 0.936 25460 5176 1 12 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.352 2.238 25460 5177 1 12 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.429 1.111 25460 5178 1 12 . 1 1 62 62 LYS H H 62 9.070 9.070 8.185 0.885 25460 5179 1 12 . 1 1 63 63 ASP N N 63 110.550 110.550 117.650 -7.100 25460 5180 1 12 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.682 -0.296 25460 5181 1 12 . 1 1 63 63 ASP C C 63 175.810 175.810 176.203 -0.393 25460 5182 1 12 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.591 0.559 25460 5183 1 12 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.416 -2.166 25460 5184 1 12 . 1 1 63 63 ASP H H 63 7.507 7.507 7.911 -0.404 25460 5185 1 12 . 1 1 64 64 GLN N N 64 112.740 112.740 115.859 -3.119 25460 5186 1 12 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.235 -0.135 25460 5187 1 12 . 1 1 64 64 GLN C C 64 175.950 175.950 175.937 0.013 25460 5188 1 12 . 1 1 64 64 GLN CA C 64 57.690 57.690 56.971 0.718 25460 5189 1 12 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.077 -0.237 25460 5190 1 12 . 1 1 64 64 GLN H H 64 8.410 8.410 8.611 -0.201 25460 5191 1 12 . 1 1 65 65 ASN N N 65 117.790 117.790 117.026 0.764 25460 5192 1 12 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.730 -0.151 25460 5193 1 12 . 1 1 65 65 ASN C C 65 177.250 177.250 174.984 2.266 25460 5194 1 12 . 1 1 65 65 ASN CA C 65 55.120 55.120 54.296 0.824 25460 5195 1 12 . 1 1 65 65 ASN CB C 65 37.910 37.910 40.057 -2.147 25460 5196 1 12 . 1 1 65 65 ASN H H 65 8.747 8.747 8.500 0.247 25460 5197 1 12 . 1 1 66 66 CYS N N 66 112.640 112.640 116.545 -3.905 25460 5198 1 12 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.217 0.208 25460 5199 1 12 . 1 1 66 66 CYS C C 66 174.970 174.970 174.161 0.809 25460 5200 1 12 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.926 -3.796 25460 5201 1 12 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.525 11.635 25460 5202 1 12 . 1 1 66 66 CYS H H 66 8.527 8.527 7.673 0.854 25460 5203 1 12 . 1 1 67 67 LYS N N 67 116.240 116.240 122.109 -5.869 25460 5204 1 12 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.153 0.024 25460 5205 1 12 . 1 1 67 67 LYS C C 67 178.480 178.480 175.912 2.568 25460 5206 1 12 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.640 1.220 25460 5207 1 12 . 1 1 67 67 LYS CB C 67 32.120 32.120 32.207 -0.087 25460 5208 1 12 . 1 1 67 67 LYS H H 67 8.014 8.014 7.907 0.107 25460 5209 1 12 . 1 1 68 68 VAL N N 68 126.980 126.980 127.355 -0.375 25460 5210 1 12 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.513 -0.838 25460 5211 1 12 . 1 1 68 68 VAL C C 68 174.460 174.460 174.303 0.157 25460 5212 1 12 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.056 3.694 25460 5213 1 12 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.579 -2.419 25460 5214 1 12 . 1 1 68 68 VAL H H 68 8.967 8.967 8.151 0.816 25460 5215 1 12 . 1 1 69 69 ILE N N 69 132.540 132.540 129.747 2.793 25460 5216 1 12 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.490 -0.311 25460 5217 1 12 . 1 1 69 69 ILE C C 69 175.060 175.060 174.997 0.063 25460 5218 1 12 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.994 0.566 25460 5219 1 12 . 1 1 69 69 ILE CB C 69 41.490 41.490 39.979 1.511 25460 5220 1 12 . 1 1 69 69 ILE H H 69 8.689 8.689 8.134 0.555 25460 5221 1 12 . 1 1 70 70 LEU N N 70 125.290 125.290 127.811 -2.521 25460 5222 1 12 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.863 0.435 25460 5223 1 12 . 1 1 70 70 LEU C C 70 180.800 180.800 179.127 1.673 25460 5224 1 12 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.760 -1.570 25460 5225 1 12 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.964 -1.814 25460 5226 1 12 . 1 1 70 70 LEU H H 70 8.829 8.829 9.272 -0.443 25460 5227 1 12 . 1 1 71 71 THR N N 71 115.510 115.510 114.450 1.060 25460 5228 1 12 . 1 1 71 71 THR HA H 71 4.094 4.094 4.127 -0.033 25460 5229 1 12 . 1 1 71 71 THR C C 71 176.240 176.240 175.522 0.718 25460 5230 1 12 . 1 1 71 71 THR CA C 71 63.950 63.950 65.000 -1.050 25460 5231 1 12 . 1 1 71 71 THR CB C 71 68.280 68.280 68.738 -0.458 25460 5232 1 12 . 1 1 71 71 THR H H 71 8.546 8.546 8.633 -0.087 25460 5233 1 12 . 1 1 72 72 ASN N N 72 117.010 117.010 118.163 -1.153 25460 5234 1 12 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.822 -0.258 25460 5235 1 12 . 1 1 72 72 ASN C C 72 177.340 177.340 175.718 1.622 25460 5236 1 12 . 1 1 72 72 ASN CA C 72 52.710 52.710 52.931 -0.221 25460 5237 1 12 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.194 -0.974 25460 5238 1 12 . 1 1 72 72 ASN H H 72 8.162 8.162 7.958 0.204 25460 5239 1 12 . 1 1 73 73 GLY N N 73 106.660 106.660 108.393 -1.733 25460 5240 1 12 . 1 1 73 73 GLY C C 73 175.020 175.020 173.713 1.307 25460 5241 1 12 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.564 0.136 25460 5242 1 12 . 1 1 73 73 GLY H H 73 7.985 7.985 8.176 -0.191 25460 5243 1 12 . 1 1 74 74 LYS N N 74 120.730 120.730 120.113 0.617 25460 5244 1 12 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.524 -0.226 25460 5245 1 12 . 1 1 74 74 LYS C C 74 175.720 175.720 176.163 -0.443 25460 5246 1 12 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.474 1.256 25460 5247 1 12 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.312 -0.822 25460 5248 1 12 . 1 1 74 74 LYS H H 74 7.820 7.820 7.576 0.244 25460 5249 1 12 . 1 1 75 75 GLN N N 75 119.590 119.590 123.081 -3.491 25460 5250 1 12 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.593 -0.437 25460 5251 1 12 . 1 1 75 75 GLN C C 75 176.490 176.490 174.966 1.524 25460 5252 1 12 . 1 1 75 75 GLN CA C 75 55.580 55.580 54.773 0.808 25460 5253 1 12 . 1 1 75 75 GLN CB C 75 29.020 29.020 27.871 1.149 25460 5254 1 12 . 1 1 75 75 GLN H H 75 8.273 8.273 8.806 -0.533 25460 5255 1 12 . 1 1 76 76 ALA N N 76 129.340 129.340 121.620 7.720 25460 5256 1 12 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.005 0.161 25460 5257 1 12 . 1 1 76 76 ALA C C 76 174.920 174.920 174.771 0.149 25460 5258 1 12 . 1 1 76 76 ALA CA C 76 50.080 50.080 51.807 -1.727 25460 5259 1 12 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.405 0.475 25460 5260 1 12 . 1 1 76 76 ALA H H 76 8.698 8.698 7.219 1.479 25460 5261 1 12 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.406 -0.169 25460 5262 1 12 . 1 1 77 77 PRO C C 77 178.170 178.170 176.948 1.222 25460 5263 1 12 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.688 0.482 25460 5264 1 12 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.510 -0.040 25460 5265 1 12 . 1 1 78 78 ASP N N 78 121.040 121.040 119.183 1.857 25460 5266 1 12 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.278 -0.061 25460 5267 1 12 . 1 1 78 78 ASP C C 78 176.610 176.610 176.142 0.468 25460 5268 1 12 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.004 0.496 25460 5269 1 12 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.304 0.226 25460 5270 1 12 . 1 1 78 78 ASP H H 78 8.607 8.607 8.616 -0.009 25460 5271 1 12 . 1 1 79 79 TRP N N 79 114.440 114.440 115.162 -0.722 25460 5272 1 12 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.796 -0.304 25460 5273 1 12 . 1 1 79 79 TRP C C 79 175.280 175.280 174.600 0.680 25460 5274 1 12 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.450 -0.820 25460 5275 1 12 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.574 -0.434 25460 5276 1 12 . 1 1 79 79 TRP H H 79 6.768 6.768 7.447 -0.679 25460 5277 1 12 . 1 1 80 80 LEU N N 80 123.450 123.450 123.723 -0.273 25460 5278 1 12 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.852 -0.091 25460 5279 1 12 . 1 1 80 80 LEU C C 80 174.270 174.270 175.516 -1.246 25460 5280 1 12 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.838 1.012 25460 5281 1 12 . 1 1 80 80 LEU CB C 80 41.890 41.890 42.262 -0.372 25460 5282 1 12 . 1 1 80 80 LEU H H 80 6.577 6.577 6.967 -0.390 25460 5283 1 12 . 1 1 81 81 ALA N N 81 130.910 130.910 129.576 1.334 25460 5284 1 12 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.720 -0.053 25460 5285 1 12 . 1 1 81 81 ALA C C 81 175.210 175.210 175.309 -0.099 25460 5286 1 12 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.620 -0.310 25460 5287 1 12 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.679 0.591 25460 5288 1 12 . 1 1 81 81 ALA H H 81 9.037 9.037 8.895 0.142 25460 5289 1 12 . 1 1 82 82 ALA N N 82 119.120 119.120 124.237 -5.117 25460 5290 1 12 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.365 0.312 25460 5291 1 12 . 1 1 82 82 ALA C C 82 177.280 177.280 176.500 0.780 25460 5292 1 12 . 1 1 82 82 ALA CA C 82 51.010 51.010 51.134 -0.124 25460 5293 1 12 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.180 1.060 25460 5294 1 12 . 1 1 82 82 ALA H H 82 8.159 8.159 8.406 -0.247 25460 5295 1 12 . 1 1 83 83 GLU N N 83 116.910 116.910 123.023 -6.113 25460 5296 1 12 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.893 0.045 25460 5297 1 12 . 1 1 83 83 GLU C C 83 172.560 172.560 174.233 -1.673 25460 5298 1 12 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.709 0.300 25460 5299 1 12 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.517 0.953 25460 5300 1 12 . 1 1 83 83 GLU H H 83 8.614 8.614 8.690 -0.076 25460 5301 1 12 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.704 0.809 25460 5302 1 12 . 1 1 84 84 PRO C C 84 177.340 177.340 175.812 1.528 25460 5303 1 12 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.593 -0.663 25460 5304 1 12 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.099 0.321 25460 5305 1 13 . 1 1 8 8 GLY N N 8 110.720 110.720 112.117 -1.397 25460 5306 1 13 . 1 1 8 8 GLY C C 8 174.650 174.650 174.032 0.618 25460 5307 1 13 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.960 0.510 25460 5308 1 13 . 1 1 8 8 GLY H H 8 8.462 8.462 8.496 -0.034 25460 5309 1 13 . 1 1 9 9 ARG N N 9 120.430 120.430 124.791 -4.361 25460 5310 1 13 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.371 -0.053 25460 5311 1 13 . 1 1 9 9 ARG C C 9 176.790 176.790 175.223 1.567 25460 5312 1 13 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.834 0.506 25460 5313 1 13 . 1 1 9 9 ARG CB C 9 30.530 30.530 29.736 0.794 25460 5314 1 13 . 1 1 9 9 ARG H H 9 8.206 8.206 8.627 -0.421 25460 5315 1 13 . 1 1 10 10 GLU N N 10 121.220 121.220 121.987 -0.767 25460 5316 1 13 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.435 -0.225 25460 5317 1 13 . 1 1 10 10 GLU C C 10 176.600 176.600 175.342 1.258 25460 5318 1 13 . 1 1 10 10 GLU CA C 10 57.270 57.270 55.855 1.415 25460 5319 1 13 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.415 -0.635 25460 5320 1 13 . 1 1 10 10 GLU H H 10 8.562 8.562 7.983 0.579 25460 5321 1 13 . 1 1 11 11 ASN N N 11 118.900 118.900 121.441 -2.541 25460 5322 1 13 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.216 0.454 25460 5323 1 13 . 1 1 11 11 ASN C C 11 175.420 175.420 174.869 0.551 25460 5324 1 13 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.018 1.432 25460 5325 1 13 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.557 0.153 25460 5326 1 13 . 1 1 11 11 ASN H H 11 8.337 8.337 8.605 -0.268 25460 5327 1 13 . 1 1 12 12 LEU N N 12 121.830 121.830 123.016 -1.186 25460 5328 1 13 . 1 1 12 12 LEU HA H 12 4.192 4.192 3.893 0.299 25460 5329 1 13 . 1 1 12 12 LEU C C 12 177.290 177.290 175.676 1.614 25460 5330 1 13 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.222 1.408 25460 5331 1 13 . 1 1 12 12 LEU CB C 12 42.260 42.260 39.911 2.349 25460 5332 1 13 . 1 1 12 12 LEU H H 12 7.988 7.988 7.420 0.568 25460 5333 1 13 . 1 1 13 13 TYR N N 13 119.550 119.550 119.811 -0.261 25460 5334 1 13 . 1 1 13 13 TYR HA H 13 4.498 4.498 3.996 0.502 25460 5335 1 13 . 1 1 13 13 TYR C C 13 175.950 175.950 175.883 0.067 25460 5336 1 13 . 1 1 13 13 TYR CA C 13 57.930 57.930 58.746 -0.816 25460 5337 1 13 . 1 1 13 13 TYR CB C 13 38.590 38.590 36.196 2.394 25460 5338 1 13 . 1 1 13 13 TYR H H 13 7.966 7.966 7.174 0.792 25460 5339 1 13 . 1 1 14 14 PHE N N 14 121.130 121.130 124.080 -2.950 25460 5340 1 13 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.378 0.146 25460 5341 1 13 . 1 1 14 14 PHE C C 14 175.820 175.820 175.762 0.058 25460 5342 1 13 . 1 1 14 14 PHE CA C 14 57.950 57.950 59.026 -1.076 25460 5343 1 13 . 1 1 14 14 PHE CB C 14 39.510 39.510 37.513 1.997 25460 5344 1 13 . 1 1 14 14 PHE H H 14 8.006 8.006 8.650 -0.644 25460 5345 1 13 . 1 1 15 15 GLN N N 15 121.840 121.840 121.750 0.090 25460 5346 1 13 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.688 -0.503 25460 5347 1 13 . 1 1 15 15 GLN C C 15 176.420 176.420 175.831 0.589 25460 5348 1 13 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.130 1.050 25460 5349 1 13 . 1 1 15 15 GLN CB C 15 29.110 29.110 30.677 -1.567 25460 5350 1 13 . 1 1 15 15 GLN H H 15 8.217 8.217 7.788 0.429 25460 5351 1 13 . 1 1 16 16 GLY N N 16 108.430 108.430 111.473 -3.043 25460 5352 1 13 . 1 1 16 16 GLY C C 16 174.140 174.140 174.524 -0.384 25460 5353 1 13 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.547 -0.237 25460 5354 1 13 . 1 1 16 16 GLY H H 16 7.907 7.907 9.039 -1.132 25460 5355 1 13 . 1 1 17 17 HIS N N 17 117.990 117.990 115.989 2.001 25460 5356 1 13 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.142 -0.265 25460 5357 1 13 . 1 1 17 17 HIS C C 17 174.610 174.610 173.626 0.984 25460 5358 1 13 . 1 1 17 17 HIS CA C 17 55.430 55.430 56.570 -1.140 25460 5359 1 13 . 1 1 17 17 HIS CB C 17 29.280 29.280 28.211 1.069 25460 5360 1 13 . 1 1 17 17 HIS H H 17 8.250 8.250 7.838 0.412 25460 5361 1 13 . 1 1 18 18 MET N N 18 121.430 121.430 124.441 -3.011 25460 5362 1 13 . 1 1 18 18 MET HA H 18 4.395 4.395 4.684 -0.289 25460 5363 1 13 . 1 1 18 18 MET C C 18 175.750 175.750 174.529 1.221 25460 5364 1 13 . 1 1 18 18 MET CA C 18 55.660 55.660 54.644 1.016 25460 5365 1 13 . 1 1 18 18 MET CB C 18 32.740 32.740 34.832 -2.092 25460 5366 1 13 . 1 1 18 18 MET H H 18 8.320 8.320 8.114 0.206 25460 5367 1 13 . 1 1 19 19 ALA N N 19 125.550 125.550 123.511 2.039 25460 5368 1 13 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.310 -0.038 25460 5369 1 13 . 1 1 19 19 ALA C C 19 176.950 176.950 176.678 0.272 25460 5370 1 13 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.837 0.423 25460 5371 1 13 . 1 1 19 19 ALA CB C 19 19.130 19.130 17.852 1.278 25460 5372 1 13 . 1 1 19 19 ALA H H 19 8.262 8.262 8.529 -0.267 25460 5373 1 13 . 1 1 20 20 ALA N N 20 124.430 124.430 120.677 3.753 25460 5374 1 13 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.043 0.493 25460 5375 1 13 . 1 1 20 20 ALA C C 20 175.390 175.390 175.599 -0.209 25460 5376 1 13 . 1 1 20 20 ALA CA C 20 50.100 50.100 52.011 -1.911 25460 5377 1 13 . 1 1 20 20 ALA CB C 20 18.420 18.420 16.924 1.496 25460 5378 1 13 . 1 1 20 20 ALA H H 20 8.083 8.083 7.842 0.241 25460 5379 1 13 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.249 0.201 25460 5380 1 13 . 1 1 21 21 PRO C C 21 175.770 175.770 176.558 -0.788 25460 5381 1 13 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.883 -8.363 25460 5382 1 13 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.164 0.796 25460 5383 1 13 . 1 1 22 22 ALA N N 22 124.420 124.420 119.995 4.425 25460 5384 1 13 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.424 -0.091 25460 5385 1 13 . 1 1 22 22 ALA C C 22 176.920 176.920 177.105 -0.185 25460 5386 1 13 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.630 0.720 25460 5387 1 13 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.152 0.038 25460 5388 1 13 . 1 1 22 22 ALA H H 22 8.235 8.235 7.603 0.632 25460 5389 1 13 . 1 1 23 23 ARG N N 23 120.140 120.140 122.195 -2.055 25460 5390 1 13 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.480 -0.137 25460 5391 1 13 . 1 1 23 23 ARG C C 23 176.220 176.220 175.385 0.835 25460 5392 1 13 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.361 0.639 25460 5393 1 13 . 1 1 23 23 ARG CB C 23 33.490 33.490 32.549 0.941 25460 5394 1 13 . 1 1 23 23 ARG H H 23 9.271 9.271 8.938 0.333 25460 5395 1 13 . 1 1 24 24 PHE N N 24 119.130 119.130 117.738 1.392 25460 5396 1 13 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.466 -0.084 25460 5397 1 13 . 1 1 24 24 PHE C C 24 175.910 175.910 174.180 1.730 25460 5398 1 13 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.611 0.239 25460 5399 1 13 . 1 1 24 24 PHE CB C 24 43.560 43.560 44.011 -0.451 25460 5400 1 13 . 1 1 24 24 PHE H H 24 9.270 9.270 8.216 1.054 25460 5401 1 13 . 1 1 25 25 CYS N N 25 116.300 116.300 118.944 -2.644 25460 5402 1 13 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.344 -0.025 25460 5403 1 13 . 1 1 25 25 CYS C C 25 172.990 172.990 174.005 -1.015 25460 5404 1 13 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.880 -3.680 25460 5405 1 13 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.169 9.571 25460 5406 1 13 . 1 1 25 25 CYS H H 25 9.254 9.254 9.402 -0.148 25460 5407 1 13 . 1 1 26 26 VAL N N 26 126.290 126.290 123.688 2.602 25460 5408 1 13 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.439 -0.057 25460 5409 1 13 . 1 1 26 26 VAL C C 26 174.520 174.520 175.035 -0.515 25460 5410 1 13 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.359 -0.619 25460 5411 1 13 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.294 0.086 25460 5412 1 13 . 1 1 26 26 VAL H H 26 9.512 9.512 9.113 0.399 25460 5413 1 13 . 1 1 27 27 TYR N N 27 123.620 123.620 127.088 -3.468 25460 5414 1 13 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.488 -0.344 25460 5415 1 13 . 1 1 27 27 TYR C C 27 175.400 175.400 175.351 0.049 25460 5416 1 13 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.261 0.839 25460 5417 1 13 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.200 0.660 25460 5418 1 13 . 1 1 27 27 TYR H H 27 8.240 8.240 9.104 -0.864 25460 5419 1 13 . 1 1 28 28 TYR N N 28 119.740 119.740 119.482 0.258 25460 5420 1 13 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.297 -0.024 25460 5421 1 13 . 1 1 28 28 TYR C C 28 174.590 174.590 174.699 -0.109 25460 5422 1 13 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.426 0.474 25460 5423 1 13 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.935 1.155 25460 5424 1 13 . 1 1 28 28 TYR H H 28 9.448 9.448 9.329 0.119 25460 5425 1 13 . 1 1 29 29 ASP N N 29 118.650 118.650 122.804 -4.154 25460 5426 1 13 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.175 0.080 25460 5427 1 13 . 1 1 29 29 ASP C C 29 177.670 177.670 175.604 2.066 25460 5428 1 13 . 1 1 29 29 ASP CA C 29 52.800 52.800 53.629 -0.829 25460 5429 1 13 . 1 1 29 29 ASP CB C 29 41.350 41.350 42.500 -1.150 25460 5430 1 13 . 1 1 29 29 ASP H H 29 8.995 8.995 9.154 -0.159 25460 5431 1 13 . 1 1 30 30 GLY N N 30 114.740 114.740 114.966 -0.226 25460 5432 1 13 . 1 1 30 30 GLY C C 30 173.320 173.320 173.105 0.215 25460 5433 1 13 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.359 -1.249 25460 5434 1 13 . 1 1 30 30 GLY H H 30 9.046 9.046 9.214 -0.168 25460 5435 1 13 . 1 1 31 31 HIS N N 31 113.880 113.880 120.245 -6.365 25460 5436 1 13 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.685 -0.192 25460 5437 1 13 . 1 1 31 31 HIS C C 31 175.230 175.230 174.246 0.984 25460 5438 1 13 . 1 1 31 31 HIS CA C 31 55.980 55.980 56.558 -0.578 25460 5439 1 13 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.169 0.460 25460 5440 1 13 . 1 1 31 31 HIS H H 31 8.306 8.306 8.815 -0.509 25460 5441 1 13 . 1 1 32 32 LEU N N 32 124.060 124.060 122.031 2.029 25460 5442 1 13 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.687 0.137 25460 5443 1 13 . 1 1 32 32 LEU C C 32 176.030 176.030 175.620 0.410 25460 5444 1 13 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.596 1.484 25460 5445 1 13 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.970 -2.430 25460 5446 1 13 . 1 1 32 32 LEU H H 32 8.477 8.477 7.753 0.724 25460 5447 1 13 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.255 -0.502 25460 5448 1 13 . 1 1 33 33 PRO C C 33 177.880 177.880 176.794 1.086 25460 5449 1 13 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.744 0.756 25460 5450 1 13 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.855 -0.085 25460 5451 1 13 . 1 1 34 34 ALA N N 34 115.220 115.220 116.831 -1.611 25460 5452 1 13 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.406 -0.213 25460 5453 1 13 . 1 1 34 34 ALA C C 34 179.120 179.120 178.107 1.013 25460 5454 1 13 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.369 1.241 25460 5455 1 13 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.803 -0.373 25460 5456 1 13 . 1 1 34 34 ALA H H 34 8.193 8.193 7.844 0.349 25460 5457 1 13 . 1 1 35 35 THR N N 35 102.120 102.120 113.615 -11.495 25460 5458 1 13 . 1 1 35 35 THR HA H 35 4.597 4.597 4.497 0.100 25460 5459 1 13 . 1 1 35 35 THR C C 35 175.610 175.610 174.468 1.142 25460 5460 1 13 . 1 1 35 35 THR CA C 35 60.400 60.400 61.773 -1.373 25460 5461 1 13 . 1 1 35 35 THR CB C 35 70.550 70.550 70.082 0.468 25460 5462 1 13 . 1 1 35 35 THR H H 35 7.187 7.187 7.760 -0.573 25460 5463 1 13 . 1 1 36 36 ARG N N 36 122.520 122.520 122.461 0.059 25460 5464 1 13 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.469 0.294 25460 5465 1 13 . 1 1 36 36 ARG C C 36 175.220 175.220 175.597 -0.377 25460 5466 1 13 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.264 1.826 25460 5467 1 13 . 1 1 36 36 ARG CB C 36 29.880 29.880 31.133 -1.252 25460 5468 1 13 . 1 1 36 36 ARG H H 36 7.918 7.918 7.620 0.298 25460 5469 1 13 . 1 1 37 37 VAL N N 37 122.110 122.110 121.791 0.319 25460 5470 1 13 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.329 0.013 25460 5471 1 13 . 1 1 37 37 VAL C C 37 175.690 175.690 175.290 0.400 25460 5472 1 13 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.549 0.781 25460 5473 1 13 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.182 1.868 25460 5474 1 13 . 1 1 37 37 VAL H H 37 8.603 8.603 8.883 -0.280 25460 5475 1 13 . 1 1 38 38 LEU N N 38 130.470 130.470 129.612 0.858 25460 5476 1 13 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.012 -0.243 25460 5477 1 13 . 1 1 38 38 LEU C C 38 176.510 176.510 175.828 0.682 25460 5478 1 13 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.198 1.172 25460 5479 1 13 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.307 0.513 25460 5480 1 13 . 1 1 38 38 LEU H H 38 8.708 8.708 8.826 -0.118 25460 5481 1 13 . 1 1 39 39 LEU N N 39 126.440 126.440 129.159 -2.719 25460 5482 1 13 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.341 0.286 25460 5483 1 13 . 1 1 39 39 LEU C C 39 176.800 176.800 177.147 -0.347 25460 5484 1 13 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.949 -0.219 25460 5485 1 13 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.020 -0.690 25460 5486 1 13 . 1 1 39 39 LEU H H 39 9.254 9.254 8.949 0.305 25460 5487 1 13 . 1 1 40 40 MET N N 40 114.550 114.550 111.409 3.141 25460 5488 1 13 . 1 1 40 40 MET HA H 40 4.471 4.471 4.573 -0.102 25460 5489 1 13 . 1 1 40 40 MET C C 40 173.750 173.750 173.473 0.277 25460 5490 1 13 . 1 1 40 40 MET CA C 40 56.040 56.040 54.736 1.304 25460 5491 1 13 . 1 1 40 40 MET CB C 40 36.880 36.880 35.307 1.573 25460 5492 1 13 . 1 1 40 40 MET H H 40 7.054 7.054 7.491 -0.437 25460 5493 1 13 . 1 1 41 41 TYR N N 41 123.270 123.270 118.979 4.291 25460 5494 1 13 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.509 -0.696 25460 5495 1 13 . 1 1 41 41 TYR C C 41 175.680 175.680 176.146 -0.466 25460 5496 1 13 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.187 0.753 25460 5497 1 13 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.719 -0.259 25460 5498 1 13 . 1 1 41 41 TYR H H 41 8.563 8.563 8.421 0.142 25460 5499 1 13 . 1 1 42 42 VAL N N 42 123.930 123.930 123.020 0.910 25460 5500 1 13 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.523 -0.114 25460 5501 1 13 . 1 1 42 42 VAL C C 42 175.600 175.600 174.742 0.858 25460 5502 1 13 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.734 0.746 25460 5503 1 13 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.586 -0.276 25460 5504 1 13 . 1 1 42 42 VAL H H 42 9.442 9.442 9.454 -0.012 25460 5505 1 13 . 1 1 43 43 ARG N N 43 129.290 129.290 126.941 2.349 25460 5506 1 13 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.187 -0.263 25460 5507 1 13 . 1 1 43 43 ARG C C 43 177.010 177.010 176.192 0.818 25460 5508 1 13 . 1 1 43 43 ARG CA C 43 56.760 56.760 54.912 1.848 25460 5509 1 13 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.318 -0.338 25460 5510 1 13 . 1 1 43 43 ARG H H 43 8.940 8.940 8.914 0.026 25460 5511 1 13 . 1 1 44 44 ILE N N 44 128.260 128.260 127.576 0.684 25460 5512 1 13 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.647 0.039 25460 5513 1 13 . 1 1 44 44 ILE C C 44 177.020 177.020 176.549 0.471 25460 5514 1 13 . 1 1 44 44 ILE CA C 44 64.930 64.930 63.755 1.175 25460 5515 1 13 . 1 1 44 44 ILE CB C 44 37.240 37.240 37.199 0.041 25460 5516 1 13 . 1 1 44 44 ILE H H 44 8.345 8.345 8.296 0.049 25460 5517 1 13 . 1 1 45 45 GLY N N 45 115.530 115.530 115.843 -0.313 25460 5518 1 13 . 1 1 45 45 GLY C C 45 174.860 174.860 174.011 0.849 25460 5519 1 13 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.744 -0.504 25460 5520 1 13 . 1 1 45 45 GLY H H 45 9.423 9.423 8.884 0.539 25460 5521 1 13 . 1 1 46 46 THR N N 46 111.410 111.410 114.460 -3.050 25460 5522 1 13 . 1 1 46 46 THR HA H 46 4.974 4.974 4.702 0.272 25460 5523 1 13 . 1 1 46 46 THR C C 46 172.310 172.310 173.751 -1.441 25460 5524 1 13 . 1 1 46 46 THR CA C 46 60.280 60.280 60.422 -0.142 25460 5525 1 13 . 1 1 46 46 THR CB C 46 72.160 72.160 71.142 1.018 25460 5526 1 13 . 1 1 46 46 THR H H 46 7.925 7.925 7.973 -0.048 25460 5527 1 13 . 1 1 47 47 THR N N 47 109.430 109.430 113.316 -3.886 25460 5528 1 13 . 1 1 47 47 THR HA H 47 5.383 5.383 5.156 0.227 25460 5529 1 13 . 1 1 47 47 THR C C 47 174.560 174.560 174.070 0.490 25460 5530 1 13 . 1 1 47 47 THR CA C 47 59.240 59.240 60.490 -1.250 25460 5531 1 13 . 1 1 47 47 THR CB C 47 71.840 71.840 70.418 1.422 25460 5532 1 13 . 1 1 47 47 THR H H 47 7.784 7.784 8.298 -0.514 25460 5533 1 13 . 1 1 48 48 ALA N N 48 122.630 122.630 124.751 -2.121 25460 5534 1 13 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.564 0.094 25460 5535 1 13 . 1 1 48 48 ALA C C 48 175.620 175.620 175.406 0.214 25460 5536 1 13 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.566 0.034 25460 5537 1 13 . 1 1 48 48 ALA CB C 48 24.410 24.410 21.960 2.450 25460 5538 1 13 . 1 1 48 48 ALA H H 48 8.681 8.681 8.789 -0.108 25460 5539 1 13 . 1 1 49 49 THR N N 49 116.020 116.020 117.571 -1.551 25460 5540 1 13 . 1 1 49 49 THR HA H 49 4.914 4.914 5.116 -0.202 25460 5541 1 13 . 1 1 49 49 THR C C 49 174.400 174.400 173.908 0.492 25460 5542 1 13 . 1 1 49 49 THR CA C 49 62.320 62.320 61.820 0.500 25460 5543 1 13 . 1 1 49 49 THR CB C 49 69.260 69.260 68.988 0.272 25460 5544 1 13 . 1 1 49 49 THR H H 49 8.347 8.347 8.293 0.054 25460 5545 1 13 . 1 1 50 50 ILE N N 50 126.050 126.050 128.612 -2.562 25460 5546 1 13 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.312 0.124 25460 5547 1 13 . 1 1 50 50 ILE C C 50 175.080 175.080 175.556 -0.476 25460 5548 1 13 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.967 0.543 25460 5549 1 13 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.932 1.738 25460 5550 1 13 . 1 1 50 50 ILE H H 50 9.199 9.199 9.046 0.153 25460 5551 1 13 . 1 1 51 51 THR N N 51 120.630 120.630 122.431 -1.801 25460 5552 1 13 . 1 1 51 51 THR HA H 51 5.312 5.312 5.471 -0.159 25460 5553 1 13 . 1 1 51 51 THR C C 51 174.250 174.250 173.425 0.825 25460 5554 1 13 . 1 1 51 51 THR CA C 51 61.030 61.030 61.275 -0.245 25460 5555 1 13 . 1 1 51 51 THR CB C 51 69.850 69.850 70.266 -0.417 25460 5556 1 13 . 1 1 51 51 THR H H 51 8.500 8.500 8.554 -0.054 25460 5557 1 13 . 1 1 52 52 ALA N N 52 127.710 127.710 127.999 -0.289 25460 5558 1 13 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.924 -0.213 25460 5559 1 13 . 1 1 52 52 ALA C C 52 176.530 176.530 176.689 -0.159 25460 5560 1 13 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.807 0.173 25460 5561 1 13 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.757 0.963 25460 5562 1 13 . 1 1 52 52 ALA H H 52 9.202 9.202 9.200 0.002 25460 5563 1 13 . 1 1 53 53 ARG N N 53 118.780 118.780 122.202 -3.422 25460 5564 1 13 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.985 -0.129 25460 5565 1 13 . 1 1 53 53 ARG C C 53 177.070 177.070 175.911 1.159 25460 5566 1 13 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.643 0.387 25460 5567 1 13 . 1 1 53 53 ARG CB C 53 27.040 27.040 28.097 -1.057 25460 5568 1 13 . 1 1 53 53 ARG H H 53 9.303 9.303 9.216 0.087 25460 5569 1 13 . 1 1 54 54 GLY N N 54 104.070 104.070 103.116 0.954 25460 5570 1 13 . 1 1 54 54 GLY C C 54 174.110 174.110 173.936 0.174 25460 5571 1 13 . 1 1 54 54 GLY CA C 54 45.360 45.360 44.948 0.412 25460 5572 1 13 . 1 1 54 54 GLY H H 54 8.714 8.714 8.396 0.318 25460 5573 1 13 . 1 1 55 55 HIS N N 55 119.170 119.170 120.987 -1.817 25460 5574 1 13 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.525 0.251 25460 5575 1 13 . 1 1 55 55 HIS C C 55 172.310 172.310 173.571 -1.261 25460 5576 1 13 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.410 -1.380 25460 5577 1 13 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.840 1.260 25460 5578 1 13 . 1 1 55 55 HIS H H 55 8.227 8.227 8.242 -0.015 25460 5579 1 13 . 1 1 56 56 GLU N N 56 119.640 119.640 123.074 -3.434 25460 5580 1 13 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.154 -0.067 25460 5581 1 13 . 1 1 56 56 GLU C C 56 176.150 176.150 175.448 0.702 25460 5582 1 13 . 1 1 56 56 GLU CA C 56 55.090 55.090 54.906 0.184 25460 5583 1 13 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.631 1.149 25460 5584 1 13 . 1 1 56 56 GLU H H 56 8.024 8.024 8.605 -0.581 25460 5585 1 13 . 1 1 57 57 PHE N N 57 121.660 121.660 124.976 -3.316 25460 5586 1 13 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.672 0.102 25460 5587 1 13 . 1 1 57 57 PHE C C 57 173.930 173.930 174.841 -0.911 25460 5588 1 13 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.703 -0.232 25460 5589 1 13 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.867 0.584 25460 5590 1 13 . 1 1 57 57 PHE H H 57 9.219 9.219 9.240 -0.021 25460 5591 1 13 . 1 1 58 58 GLU N N 58 125.630 125.630 126.482 -0.852 25460 5592 1 13 . 1 1 58 58 GLU HA H 58 5.224 5.224 5.115 0.109 25460 5593 1 13 . 1 1 58 58 GLU C C 58 175.820 175.820 176.024 -0.204 25460 5594 1 13 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.015 0.445 25460 5595 1 13 . 1 1 58 58 GLU CB C 58 29.950 29.950 30.665 -0.715 25460 5596 1 13 . 1 1 58 58 GLU H H 58 8.597 8.597 8.974 -0.377 25460 5597 1 13 . 1 1 59 59 VAL N N 59 120.690 120.690 121.300 -0.610 25460 5598 1 13 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.489 0.925 25460 5599 1 13 . 1 1 59 59 VAL C C 59 174.790 174.790 173.966 0.824 25460 5600 1 13 . 1 1 59 59 VAL CA C 59 58.550 58.550 60.088 -1.538 25460 5601 1 13 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.278 -0.128 25460 5602 1 13 . 1 1 59 59 VAL H H 59 8.809 8.809 9.090 -0.281 25460 5603 1 13 . 1 1 60 60 GLU N N 60 118.570 118.570 123.654 -5.084 25460 5604 1 13 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.859 -0.242 25460 5605 1 13 . 1 1 60 60 GLU C C 60 176.050 176.050 174.891 1.159 25460 5606 1 13 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.325 -0.145 25460 5607 1 13 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.888 -0.838 25460 5608 1 13 . 1 1 60 60 GLU H H 60 8.024 8.024 8.741 -0.717 25460 5609 1 13 . 1 1 61 61 ALA N N 61 132.630 132.630 131.654 0.976 25460 5610 1 13 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.528 0.171 25460 5611 1 13 . 1 1 61 61 ALA C C 61 176.260 176.260 176.960 -0.700 25460 5612 1 13 . 1 1 61 61 ALA CA C 61 50.520 50.520 52.300 -1.780 25460 5613 1 13 . 1 1 61 61 ALA CB C 61 17.710 17.710 19.368 -1.658 25460 5614 1 13 . 1 1 61 61 ALA H H 61 8.230 8.230 8.873 -0.643 25460 5615 1 13 . 1 1 62 62 LYS N N 62 126.080 126.080 125.251 0.829 25460 5616 1 13 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.359 -0.361 25460 5617 1 13 . 1 1 62 62 LYS C C 62 177.030 177.030 176.827 0.203 25460 5618 1 13 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.720 1.870 25460 5619 1 13 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.273 1.267 25460 5620 1 13 . 1 1 62 62 LYS H H 62 9.070 9.070 8.034 1.036 25460 5621 1 13 . 1 1 63 63 ASP N N 63 110.550 110.550 118.822 -8.272 25460 5622 1 13 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.751 -0.365 25460 5623 1 13 . 1 1 63 63 ASP C C 63 175.810 175.810 176.727 -0.917 25460 5624 1 13 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.611 0.540 25460 5625 1 13 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.377 -2.127 25460 5626 1 13 . 1 1 63 63 ASP H H 63 7.507 7.507 7.652 -0.145 25460 5627 1 13 . 1 1 64 64 GLN N N 64 112.740 112.740 120.197 -7.457 25460 5628 1 13 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.240 -0.140 25460 5629 1 13 . 1 1 64 64 GLN C C 64 175.950 175.950 175.608 0.342 25460 5630 1 13 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.075 0.615 25460 5631 1 13 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.124 -0.284 25460 5632 1 13 . 1 1 64 64 GLN H H 64 8.410 8.410 8.662 -0.252 25460 5633 1 13 . 1 1 65 65 ASN N N 65 117.790 117.790 117.395 0.395 25460 5634 1 13 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.779 -0.200 25460 5635 1 13 . 1 1 65 65 ASN C C 65 177.250 177.250 174.828 2.422 25460 5636 1 13 . 1 1 65 65 ASN CA C 65 55.120 55.120 54.024 1.096 25460 5637 1 13 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.845 -1.935 25460 5638 1 13 . 1 1 65 65 ASN H H 65 8.747 8.747 8.242 0.505 25460 5639 1 13 . 1 1 66 66 CYS N N 66 112.640 112.640 116.052 -3.412 25460 5640 1 13 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.171 0.254 25460 5641 1 13 . 1 1 66 66 CYS C C 66 174.970 174.970 174.165 0.805 25460 5642 1 13 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.715 -3.585 25460 5643 1 13 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.815 11.345 25460 5644 1 13 . 1 1 66 66 CYS H H 66 8.527 8.527 7.609 0.918 25460 5645 1 13 . 1 1 67 67 LYS N N 67 116.240 116.240 121.010 -4.770 25460 5646 1 13 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.107 0.070 25460 5647 1 13 . 1 1 67 67 LYS C C 67 178.480 178.480 175.727 2.753 25460 5648 1 13 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.993 0.867 25460 5649 1 13 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.703 0.417 25460 5650 1 13 . 1 1 67 67 LYS H H 67 8.014 8.014 7.994 0.020 25460 5651 1 13 . 1 1 68 68 VAL N N 68 126.980 126.980 126.514 0.466 25460 5652 1 13 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.354 -0.679 25460 5653 1 13 . 1 1 68 68 VAL C C 68 174.460 174.460 174.366 0.094 25460 5654 1 13 . 1 1 68 68 VAL CA C 68 64.750 64.750 60.613 4.137 25460 5655 1 13 . 1 1 68 68 VAL CB C 68 30.160 30.160 33.111 -2.951 25460 5656 1 13 . 1 1 68 68 VAL H H 68 8.967 8.967 7.895 1.072 25460 5657 1 13 . 1 1 69 69 ILE N N 69 132.540 132.540 128.903 3.637 25460 5658 1 13 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.513 -0.334 25460 5659 1 13 . 1 1 69 69 ILE C C 69 175.060 175.060 175.243 -0.183 25460 5660 1 13 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.705 0.855 25460 5661 1 13 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.700 0.790 25460 5662 1 13 . 1 1 69 69 ILE H H 69 8.689 8.689 7.881 0.808 25460 5663 1 13 . 1 1 70 70 LEU N N 70 125.290 125.290 126.487 -1.197 25460 5664 1 13 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.722 0.576 25460 5665 1 13 . 1 1 70 70 LEU C C 70 180.800 180.800 179.029 1.771 25460 5666 1 13 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.747 -1.557 25460 5667 1 13 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.694 -1.544 25460 5668 1 13 . 1 1 70 70 LEU H H 70 8.829 8.829 9.280 -0.451 25460 5669 1 13 . 1 1 71 71 THR N N 71 115.510 115.510 115.173 0.337 25460 5670 1 13 . 1 1 71 71 THR HA H 71 4.094 4.094 4.113 -0.019 25460 5671 1 13 . 1 1 71 71 THR C C 71 176.240 176.240 175.704 0.536 25460 5672 1 13 . 1 1 71 71 THR CA C 71 63.950 63.950 65.210 -1.260 25460 5673 1 13 . 1 1 71 71 THR CB C 71 68.280 68.280 68.556 -0.276 25460 5674 1 13 . 1 1 71 71 THR H H 71 8.546 8.546 8.769 -0.223 25460 5675 1 13 . 1 1 72 72 ASN N N 72 117.010 117.010 119.205 -2.195 25460 5676 1 13 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.705 -0.141 25460 5677 1 13 . 1 1 72 72 ASN C C 72 177.340 177.340 176.069 1.271 25460 5678 1 13 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.455 -0.745 25460 5679 1 13 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.345 -1.125 25460 5680 1 13 . 1 1 72 72 ASN H H 72 8.162 8.162 8.186 -0.024 25460 5681 1 13 . 1 1 73 73 GLY N N 73 106.660 106.660 107.046 -0.386 25460 5682 1 13 . 1 1 73 73 GLY C C 73 175.020 175.020 173.686 1.334 25460 5683 1 13 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.183 0.517 25460 5684 1 13 . 1 1 73 73 GLY H H 73 7.985 7.985 7.907 0.078 25460 5685 1 13 . 1 1 74 74 LYS N N 74 120.730 120.730 119.871 0.859 25460 5686 1 13 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.615 -0.317 25460 5687 1 13 . 1 1 74 74 LYS C C 74 175.720 175.720 176.197 -0.477 25460 5688 1 13 . 1 1 74 74 LYS CA C 74 55.730 55.730 53.996 1.734 25460 5689 1 13 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.913 -1.423 25460 5690 1 13 . 1 1 74 74 LYS H H 74 7.820 7.820 7.484 0.336 25460 5691 1 13 . 1 1 75 75 GLN N N 75 119.590 119.590 121.469 -1.879 25460 5692 1 13 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.313 -0.157 25460 5693 1 13 . 1 1 75 75 GLN C C 75 176.490 176.490 174.801 1.689 25460 5694 1 13 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.419 0.161 25460 5695 1 13 . 1 1 75 75 GLN CB C 75 29.020 29.020 28.783 0.237 25460 5696 1 13 . 1 1 75 75 GLN H H 75 8.273 8.273 8.845 -0.572 25460 5697 1 13 . 1 1 76 76 ALA N N 76 129.340 129.340 119.728 9.612 25460 5698 1 13 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.017 0.149 25460 5699 1 13 . 1 1 76 76 ALA C C 76 174.920 174.920 174.730 0.190 25460 5700 1 13 . 1 1 76 76 ALA CA C 76 50.080 50.080 51.672 -1.592 25460 5701 1 13 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.661 0.219 25460 5702 1 13 . 1 1 76 76 ALA H H 76 8.698 8.698 7.538 1.160 25460 5703 1 13 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.309 -0.072 25460 5704 1 13 . 1 1 77 77 PRO C C 77 178.170 178.170 176.579 1.591 25460 5705 1 13 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.950 0.220 25460 5706 1 13 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.375 0.095 25460 5707 1 13 . 1 1 78 78 ASP N N 78 121.040 121.040 121.014 0.026 25460 5708 1 13 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.414 -0.197 25460 5709 1 13 . 1 1 78 78 ASP C C 78 176.610 176.610 177.446 -0.836 25460 5710 1 13 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.861 -0.361 25460 5711 1 13 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.859 -0.329 25460 5712 1 13 . 1 1 78 78 ASP H H 78 8.607 8.607 8.644 -0.037 25460 5713 1 13 . 1 1 79 79 TRP N N 79 114.440 114.440 115.937 -1.497 25460 5714 1 13 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.801 -0.309 25460 5715 1 13 . 1 1 79 79 TRP C C 79 175.280 175.280 174.800 0.480 25460 5716 1 13 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.566 -0.936 25460 5717 1 13 . 1 1 79 79 TRP CB C 79 29.140 29.140 28.522 0.618 25460 5718 1 13 . 1 1 79 79 TRP H H 79 6.768 6.768 7.623 -0.855 25460 5719 1 13 . 1 1 80 80 LEU N N 80 123.450 123.450 124.366 -0.916 25460 5720 1 13 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.871 -0.110 25460 5721 1 13 . 1 1 80 80 LEU C C 80 174.270 174.270 175.398 -1.128 25460 5722 1 13 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.583 1.267 25460 5723 1 13 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.568 0.322 25460 5724 1 13 . 1 1 80 80 LEU H H 80 6.577 6.577 6.928 -0.351 25460 5725 1 13 . 1 1 81 81 ALA N N 81 130.910 130.910 129.993 0.917 25460 5726 1 13 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.678 -0.011 25460 5727 1 13 . 1 1 81 81 ALA C C 81 175.210 175.210 175.267 -0.057 25460 5728 1 13 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.540 -0.230 25460 5729 1 13 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.517 0.753 25460 5730 1 13 . 1 1 81 81 ALA H H 81 9.037 9.037 8.867 0.169 25460 5731 1 13 . 1 1 82 82 ALA N N 82 119.120 119.120 123.937 -4.817 25460 5732 1 13 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.301 0.376 25460 5733 1 13 . 1 1 82 82 ALA C C 82 177.280 177.280 176.575 0.705 25460 5734 1 13 . 1 1 82 82 ALA CA C 82 51.010 51.010 51.118 -0.108 25460 5735 1 13 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.173 1.067 25460 5736 1 13 . 1 1 82 82 ALA H H 82 8.159 8.159 8.345 -0.186 25460 5737 1 13 . 1 1 83 83 GLU N N 83 116.910 116.910 123.309 -6.399 25460 5738 1 13 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.826 0.112 25460 5739 1 13 . 1 1 83 83 GLU C C 83 172.560 172.560 174.446 -1.886 25460 5740 1 13 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.821 0.189 25460 5741 1 13 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.640 0.830 25460 5742 1 13 . 1 1 83 83 GLU H H 83 8.614 8.614 8.700 -0.086 25460 5743 1 13 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.581 0.932 25460 5744 1 13 . 1 1 84 84 PRO C C 84 177.340 177.340 175.880 1.460 25460 5745 1 13 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.627 -0.697 25460 5746 1 13 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.992 0.428 25460 5747 1 14 . 1 1 8 8 GLY N N 8 110.720 110.720 110.571 0.149 25460 5748 1 14 . 1 1 8 8 GLY C C 8 174.650 174.650 173.705 0.945 25460 5749 1 14 . 1 1 8 8 GLY CA C 8 45.470 45.470 45.424 0.046 25460 5750 1 14 . 1 1 8 8 GLY H H 8 8.462 8.462 8.494 -0.032 25460 5751 1 14 . 1 1 9 9 ARG N N 9 120.430 120.430 123.294 -2.864 25460 5752 1 14 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.439 -0.121 25460 5753 1 14 . 1 1 9 9 ARG C C 9 176.790 176.790 175.304 1.486 25460 5754 1 14 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.725 0.615 25460 5755 1 14 . 1 1 9 9 ARG CB C 9 30.530 30.530 31.616 -1.086 25460 5756 1 14 . 1 1 9 9 ARG H H 9 8.206 8.206 8.255 -0.049 25460 5757 1 14 . 1 1 10 10 GLU N N 10 121.220 121.220 123.769 -2.549 25460 5758 1 14 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.290 -0.080 25460 5759 1 14 . 1 1 10 10 GLU C C 10 176.600 176.600 176.366 0.234 25460 5760 1 14 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.570 0.700 25460 5761 1 14 . 1 1 10 10 GLU CB C 10 29.780 29.780 29.574 0.206 25460 5762 1 14 . 1 1 10 10 GLU H H 10 8.562 8.562 8.604 -0.042 25460 5763 1 14 . 1 1 11 11 ASN N N 11 118.900 118.900 122.166 -3.266 25460 5764 1 14 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.682 -0.012 25460 5765 1 14 . 1 1 11 11 ASN C C 11 175.420 175.420 174.381 1.039 25460 5766 1 14 . 1 1 11 11 ASN CA C 11 53.450 53.450 53.349 0.101 25460 5767 1 14 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.898 -0.188 25460 5768 1 14 . 1 1 11 11 ASN H H 11 8.337 8.337 8.671 -0.334 25460 5769 1 14 . 1 1 12 12 LEU N N 12 121.830 121.830 120.746 1.084 25460 5770 1 14 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.372 -0.180 25460 5771 1 14 . 1 1 12 12 LEU C C 12 177.290 177.290 174.656 2.634 25460 5772 1 14 . 1 1 12 12 LEU CA C 12 55.630 55.630 53.914 1.716 25460 5773 1 14 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.673 0.587 25460 5774 1 14 . 1 1 12 12 LEU H H 12 7.988 7.988 7.417 0.571 25460 5775 1 14 . 1 1 13 13 TYR N N 13 119.550 119.550 125.630 -6.080 25460 5776 1 14 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.414 0.084 25460 5777 1 14 . 1 1 13 13 TYR C C 13 175.950 175.950 175.050 0.900 25460 5778 1 14 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.866 0.064 25460 5779 1 14 . 1 1 13 13 TYR CB C 13 38.590 38.590 39.907 -1.317 25460 5780 1 14 . 1 1 13 13 TYR H H 13 7.966 7.966 8.042 -0.076 25460 5781 1 14 . 1 1 14 14 PHE N N 14 121.130 121.130 124.591 -3.461 25460 5782 1 14 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.606 -0.082 25460 5783 1 14 . 1 1 14 14 PHE C C 14 175.820 175.820 175.098 0.722 25460 5784 1 14 . 1 1 14 14 PHE CA C 14 57.950 57.950 56.709 1.240 25460 5785 1 14 . 1 1 14 14 PHE CB C 14 39.510 39.510 39.787 -0.277 25460 5786 1 14 . 1 1 14 14 PHE H H 14 8.006 8.006 7.819 0.187 25460 5787 1 14 . 1 1 15 15 GLN N N 15 121.840 121.840 126.103 -4.263 25460 5788 1 14 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.609 -0.424 25460 5789 1 14 . 1 1 15 15 GLN C C 15 176.420 176.420 175.777 0.643 25460 5790 1 14 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.520 0.660 25460 5791 1 14 . 1 1 15 15 GLN CB C 15 29.110 29.110 28.347 0.763 25460 5792 1 14 . 1 1 15 15 GLN H H 15 8.217 8.217 8.951 -0.734 25460 5793 1 14 . 1 1 16 16 GLY N N 16 108.430 108.430 113.427 -4.997 25460 5794 1 14 . 1 1 16 16 GLY C C 16 174.140 174.140 172.890 1.250 25460 5795 1 14 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.193 0.117 25460 5796 1 14 . 1 1 16 16 GLY H H 16 7.907 7.907 8.131 -0.224 25460 5797 1 14 . 1 1 17 17 HIS N N 17 117.990 117.990 118.065 -0.075 25460 5798 1 14 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.856 -0.979 25460 5799 1 14 . 1 1 17 17 HIS C C 17 174.610 174.610 174.318 0.292 25460 5800 1 14 . 1 1 17 17 HIS CA C 17 55.430 55.430 54.532 0.897 25460 5801 1 14 . 1 1 17 17 HIS CB C 17 29.280 29.280 31.235 -1.955 25460 5802 1 14 . 1 1 17 17 HIS H H 17 8.250 8.250 7.755 0.495 25460 5803 1 14 . 1 1 18 18 MET N N 18 121.430 121.430 122.465 -1.035 25460 5804 1 14 . 1 1 18 18 MET HA H 18 4.395 4.395 4.647 -0.252 25460 5805 1 14 . 1 1 18 18 MET C C 18 175.750 175.750 176.068 -0.318 25460 5806 1 14 . 1 1 18 18 MET CA C 18 55.660 55.660 55.121 0.539 25460 5807 1 14 . 1 1 18 18 MET CB C 18 32.740 32.740 34.999 -2.259 25460 5808 1 14 . 1 1 18 18 MET H H 18 8.320 8.320 8.718 -0.398 25460 5809 1 14 . 1 1 19 19 ALA N N 19 125.550 125.550 128.682 -3.132 25460 5810 1 14 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.583 -0.311 25460 5811 1 14 . 1 1 19 19 ALA C C 19 176.950 176.950 176.625 0.325 25460 5812 1 14 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.236 1.024 25460 5813 1 14 . 1 1 19 19 ALA CB C 19 19.130 19.130 17.728 1.402 25460 5814 1 14 . 1 1 19 19 ALA H H 19 8.262 8.262 9.124 -0.862 25460 5815 1 14 . 1 1 20 20 ALA N N 20 124.430 124.430 124.435 -0.005 25460 5816 1 14 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.063 0.473 25460 5817 1 14 . 1 1 20 20 ALA C C 20 175.390 175.390 175.430 -0.040 25460 5818 1 14 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.584 -1.484 25460 5819 1 14 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.510 0.910 25460 5820 1 14 . 1 1 20 20 ALA H H 20 8.083 8.083 8.130 -0.047 25460 5821 1 14 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.227 0.223 25460 5822 1 14 . 1 1 21 21 PRO C C 21 175.770 175.770 176.802 -1.032 25460 5823 1 14 . 1 1 21 21 PRO CA C 21 55.520 55.520 64.082 -8.562 25460 5824 1 14 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.148 0.812 25460 5825 1 14 . 1 1 22 22 ALA N N 22 124.420 124.420 120.951 3.469 25460 5826 1 14 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.354 -0.021 25460 5827 1 14 . 1 1 22 22 ALA C C 22 176.920 176.920 176.793 0.127 25460 5828 1 14 . 1 1 22 22 ALA CA C 22 52.350 52.350 52.379 -0.029 25460 5829 1 14 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.195 -0.005 25460 5830 1 14 . 1 1 22 22 ALA H H 22 8.235 8.235 7.731 0.504 25460 5831 1 14 . 1 1 23 23 ARG N N 23 120.140 120.140 123.002 -2.862 25460 5832 1 14 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.546 -0.203 25460 5833 1 14 . 1 1 23 23 ARG C C 23 176.220 176.220 175.178 1.042 25460 5834 1 14 . 1 1 23 23 ARG CA C 23 57.000 57.000 55.666 1.334 25460 5835 1 14 . 1 1 23 23 ARG CB C 23 33.490 33.490 32.627 0.863 25460 5836 1 14 . 1 1 23 23 ARG H H 23 9.271 9.271 8.458 0.813 25460 5837 1 14 . 1 1 24 24 PHE N N 24 119.130 119.130 117.750 1.380 25460 5838 1 14 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.767 -0.385 25460 5839 1 14 . 1 1 24 24 PHE C C 24 175.910 175.910 174.598 1.312 25460 5840 1 14 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.287 0.563 25460 5841 1 14 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.835 -0.275 25460 5842 1 14 . 1 1 24 24 PHE H H 24 9.270 9.270 8.407 0.863 25460 5843 1 14 . 1 1 25 25 CYS N N 25 116.300 116.300 118.609 -2.309 25460 5844 1 14 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.401 -0.082 25460 5845 1 14 . 1 1 25 25 CYS C C 25 172.990 172.990 173.029 -0.039 25460 5846 1 14 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.276 -3.075 25460 5847 1 14 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.692 9.048 25460 5848 1 14 . 1 1 25 25 CYS H H 25 9.254 9.254 9.072 0.182 25460 5849 1 14 . 1 1 26 26 VAL N N 26 126.290 126.290 125.165 1.125 25460 5850 1 14 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.458 -0.076 25460 5851 1 14 . 1 1 26 26 VAL C C 26 174.520 174.520 174.198 0.322 25460 5852 1 14 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.507 0.233 25460 5853 1 14 . 1 1 26 26 VAL CB C 26 32.380 32.380 33.119 -0.739 25460 5854 1 14 . 1 1 26 26 VAL H H 26 9.512 9.512 8.961 0.551 25460 5855 1 14 . 1 1 27 27 TYR N N 27 123.620 123.620 125.624 -2.004 25460 5856 1 14 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.517 -0.373 25460 5857 1 14 . 1 1 27 27 TYR C C 27 175.400 175.400 175.183 0.217 25460 5858 1 14 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.437 1.663 25460 5859 1 14 . 1 1 27 27 TYR CB C 27 40.860 40.860 41.177 -0.317 25460 5860 1 14 . 1 1 27 27 TYR H H 27 8.240 8.240 8.697 -0.457 25460 5861 1 14 . 1 1 28 28 TYR N N 28 119.740 119.740 118.378 1.362 25460 5862 1 14 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.344 -0.071 25460 5863 1 14 . 1 1 28 28 TYR C C 28 174.590 174.590 174.635 -0.045 25460 5864 1 14 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.213 0.687 25460 5865 1 14 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.657 1.433 25460 5866 1 14 . 1 1 28 28 TYR H H 28 9.448 9.448 9.190 0.258 25460 5867 1 14 . 1 1 29 29 ASP N N 29 118.650 118.650 122.533 -3.883 25460 5868 1 14 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.366 -0.111 25460 5869 1 14 . 1 1 29 29 ASP C C 29 177.670 177.670 175.840 1.830 25460 5870 1 14 . 1 1 29 29 ASP CA C 29 52.800 52.800 53.422 -0.622 25460 5871 1 14 . 1 1 29 29 ASP CB C 29 41.350 41.350 42.513 -1.163 25460 5872 1 14 . 1 1 29 29 ASP H H 29 8.995 8.995 9.012 -0.017 25460 5873 1 14 . 1 1 30 30 GLY N N 30 114.740 114.740 115.398 -0.658 25460 5874 1 14 . 1 1 30 30 GLY C C 30 173.320 173.320 172.473 0.847 25460 5875 1 14 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.464 -1.354 25460 5876 1 14 . 1 1 30 30 GLY H H 30 9.046 9.046 9.005 0.041 25460 5877 1 14 . 1 1 31 31 HIS N N 31 113.880 113.880 115.527 -1.647 25460 5878 1 14 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.626 -0.133 25460 5879 1 14 . 1 1 31 31 HIS C C 31 175.230 175.230 174.547 0.683 25460 5880 1 14 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.900 0.080 25460 5881 1 14 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.163 0.467 25460 5882 1 14 . 1 1 31 31 HIS H H 31 8.306 8.306 8.607 -0.301 25460 5883 1 14 . 1 1 32 32 LEU N N 32 124.060 124.060 121.846 2.214 25460 5884 1 14 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.631 0.193 25460 5885 1 14 . 1 1 32 32 LEU C C 32 176.030 176.030 174.331 1.699 25460 5886 1 14 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.547 1.533 25460 5887 1 14 . 1 1 32 32 LEU CB C 32 41.540 41.540 44.884 -3.344 25460 5888 1 14 . 1 1 32 32 LEU H H 32 8.477 8.477 7.267 1.210 25460 5889 1 14 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.170 -0.417 25460 5890 1 14 . 1 1 33 33 PRO C C 33 177.880 177.880 177.013 0.867 25460 5891 1 14 . 1 1 33 33 PRO CA C 33 65.500 65.500 63.918 1.582 25460 5892 1 14 . 1 1 33 33 PRO CB C 33 31.770 31.770 32.287 -0.517 25460 5893 1 14 . 1 1 34 34 ALA N N 34 115.220 115.220 120.472 -5.252 25460 5894 1 14 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.364 -0.171 25460 5895 1 14 . 1 1 34 34 ALA C C 34 179.120 179.120 178.212 0.908 25460 5896 1 14 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.819 0.791 25460 5897 1 14 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.138 0.292 25460 5898 1 14 . 1 1 34 34 ALA H H 34 8.193 8.193 7.814 0.379 25460 5899 1 14 . 1 1 35 35 THR N N 35 102.120 102.120 110.218 -8.098 25460 5900 1 14 . 1 1 35 35 THR HA H 35 4.597 4.597 4.375 0.222 25460 5901 1 14 . 1 1 35 35 THR C C 35 175.610 175.610 175.178 0.432 25460 5902 1 14 . 1 1 35 35 THR CA C 35 60.400 60.400 61.028 -0.628 25460 5903 1 14 . 1 1 35 35 THR CB C 35 70.550 70.550 69.794 0.756 25460 5904 1 14 . 1 1 35 35 THR H H 35 7.187 7.187 7.479 -0.292 25460 5905 1 14 . 1 1 36 36 ARG N N 36 122.520 122.520 122.075 0.445 25460 5906 1 14 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.394 0.369 25460 5907 1 14 . 1 1 36 36 ARG C C 36 175.220 175.220 175.660 -0.440 25460 5908 1 14 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.858 1.232 25460 5909 1 14 . 1 1 36 36 ARG CB C 36 29.880 29.880 31.212 -1.331 25460 5910 1 14 . 1 1 36 36 ARG H H 36 7.918 7.918 7.439 0.479 25460 5911 1 14 . 1 1 37 37 VAL N N 37 122.110 122.110 122.001 0.109 25460 5912 1 14 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.331 0.010 25460 5913 1 14 . 1 1 37 37 VAL C C 37 175.690 175.690 174.978 0.712 25460 5914 1 14 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.611 0.720 25460 5915 1 14 . 1 1 37 37 VAL CB C 37 35.050 35.050 32.664 2.386 25460 5916 1 14 . 1 1 37 37 VAL H H 37 8.603 8.603 8.771 -0.168 25460 5917 1 14 . 1 1 38 38 LEU N N 38 130.470 130.470 130.184 0.286 25460 5918 1 14 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.358 -0.589 25460 5919 1 14 . 1 1 38 38 LEU C C 38 176.510 176.510 176.116 0.394 25460 5920 1 14 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.190 1.180 25460 5921 1 14 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.569 0.251 25460 5922 1 14 . 1 1 38 38 LEU H H 38 8.708 8.708 8.891 -0.183 25460 5923 1 14 . 1 1 39 39 LEU N N 39 126.440 126.440 129.134 -2.694 25460 5924 1 14 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.395 0.232 25460 5925 1 14 . 1 1 39 39 LEU C C 39 176.800 176.800 177.293 -0.493 25460 5926 1 14 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.092 -0.362 25460 5927 1 14 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.977 -0.647 25460 5928 1 14 . 1 1 39 39 LEU H H 39 9.254 9.254 9.051 0.203 25460 5929 1 14 . 1 1 40 40 MET N N 40 114.550 114.550 111.457 3.093 25460 5930 1 14 . 1 1 40 40 MET HA H 40 4.471 4.471 4.730 -0.259 25460 5931 1 14 . 1 1 40 40 MET C C 40 173.750 173.750 173.598 0.152 25460 5932 1 14 . 1 1 40 40 MET CA C 40 56.040 56.040 54.856 1.184 25460 5933 1 14 . 1 1 40 40 MET CB C 40 36.880 36.880 35.241 1.639 25460 5934 1 14 . 1 1 40 40 MET H H 40 7.054 7.054 7.538 -0.484 25460 5935 1 14 . 1 1 41 41 TYR N N 41 123.270 123.270 119.065 4.205 25460 5936 1 14 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.770 -0.957 25460 5937 1 14 . 1 1 41 41 TYR C C 41 175.680 175.680 176.322 -0.642 25460 5938 1 14 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.076 0.864 25460 5939 1 14 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.908 -0.449 25460 5940 1 14 . 1 1 41 41 TYR H H 41 8.563 8.563 8.496 0.067 25460 5941 1 14 . 1 1 42 42 VAL N N 42 123.930 123.930 122.333 1.597 25460 5942 1 14 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.436 -0.027 25460 5943 1 14 . 1 1 42 42 VAL C C 42 175.600 175.600 174.655 0.945 25460 5944 1 14 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.900 0.580 25460 5945 1 14 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.296 0.014 25460 5946 1 14 . 1 1 42 42 VAL H H 42 9.442 9.442 9.183 0.259 25460 5947 1 14 . 1 1 43 43 ARG N N 43 129.290 129.290 127.127 2.163 25460 5948 1 14 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.275 -0.351 25460 5949 1 14 . 1 1 43 43 ARG C C 43 177.010 177.010 176.169 0.841 25460 5950 1 14 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.359 1.401 25460 5951 1 14 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.055 -0.076 25460 5952 1 14 . 1 1 43 43 ARG H H 43 8.940 8.940 8.924 0.016 25460 5953 1 14 . 1 1 44 44 ILE N N 44 128.260 128.260 127.910 0.350 25460 5954 1 14 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.612 0.074 25460 5955 1 14 . 1 1 44 44 ILE C C 44 177.020 177.020 176.487 0.533 25460 5956 1 14 . 1 1 44 44 ILE CA C 44 64.930 64.930 63.655 1.275 25460 5957 1 14 . 1 1 44 44 ILE CB C 44 37.240 37.240 37.297 -0.057 25460 5958 1 14 . 1 1 44 44 ILE H H 44 8.345 8.345 8.594 -0.249 25460 5959 1 14 . 1 1 45 45 GLY N N 45 115.530 115.530 115.468 0.062 25460 5960 1 14 . 1 1 45 45 GLY C C 45 174.860 174.860 173.923 0.937 25460 5961 1 14 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.858 -0.618 25460 5962 1 14 . 1 1 45 45 GLY H H 45 9.423 9.423 8.980 0.443 25460 5963 1 14 . 1 1 46 46 THR N N 46 111.410 111.410 112.188 -0.778 25460 5964 1 14 . 1 1 46 46 THR HA H 46 4.974 4.974 4.710 0.264 25460 5965 1 14 . 1 1 46 46 THR C C 46 172.310 172.310 173.277 -0.967 25460 5966 1 14 . 1 1 46 46 THR CA C 46 60.280 60.280 59.505 0.775 25460 5967 1 14 . 1 1 46 46 THR CB C 46 72.160 72.160 71.711 0.449 25460 5968 1 14 . 1 1 46 46 THR H H 46 7.925 7.925 7.851 0.074 25460 5969 1 14 . 1 1 47 47 THR N N 47 109.430 109.430 112.875 -3.445 25460 5970 1 14 . 1 1 47 47 THR HA H 47 5.383 5.383 5.230 0.153 25460 5971 1 14 . 1 1 47 47 THR C C 47 174.560 174.560 173.994 0.566 25460 5972 1 14 . 1 1 47 47 THR CA C 47 59.240 59.240 60.484 -1.244 25460 5973 1 14 . 1 1 47 47 THR CB C 47 71.840 71.840 70.495 1.345 25460 5974 1 14 . 1 1 47 47 THR H H 47 7.784 7.784 8.239 -0.455 25460 5975 1 14 . 1 1 48 48 ALA N N 48 122.630 122.630 125.411 -2.781 25460 5976 1 14 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.641 0.017 25460 5977 1 14 . 1 1 48 48 ALA C C 48 175.620 175.620 175.265 0.355 25460 5978 1 14 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.530 0.070 25460 5979 1 14 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.205 2.205 25460 5980 1 14 . 1 1 48 48 ALA H H 48 8.681 8.681 8.993 -0.312 25460 5981 1 14 . 1 1 49 49 THR N N 49 116.020 116.020 117.231 -1.211 25460 5982 1 14 . 1 1 49 49 THR HA H 49 4.914 4.914 5.080 -0.166 25460 5983 1 14 . 1 1 49 49 THR C C 49 174.400 174.400 174.295 0.105 25460 5984 1 14 . 1 1 49 49 THR CA C 49 62.320 62.320 61.300 1.020 25460 5985 1 14 . 1 1 49 49 THR CB C 49 69.260 69.260 68.876 0.383 25460 5986 1 14 . 1 1 49 49 THR H H 49 8.347 8.347 8.522 -0.175 25460 5987 1 14 . 1 1 50 50 ILE N N 50 126.050 126.050 128.598 -2.548 25460 5988 1 14 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.351 0.085 25460 5989 1 14 . 1 1 50 50 ILE C C 50 175.080 175.080 175.488 -0.408 25460 5990 1 14 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.952 0.558 25460 5991 1 14 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.901 1.769 25460 5992 1 14 . 1 1 50 50 ILE H H 50 9.199 9.199 8.928 0.271 25460 5993 1 14 . 1 1 51 51 THR N N 51 120.630 120.630 122.772 -2.142 25460 5994 1 14 . 1 1 51 51 THR HA H 51 5.312 5.312 5.341 -0.029 25460 5995 1 14 . 1 1 51 51 THR C C 51 174.250 174.250 173.242 1.008 25460 5996 1 14 . 1 1 51 51 THR CA C 51 61.030 61.030 61.067 -0.037 25460 5997 1 14 . 1 1 51 51 THR CB C 51 69.850 69.850 70.204 -0.354 25460 5998 1 14 . 1 1 51 51 THR H H 51 8.500 8.500 8.594 -0.094 25460 5999 1 14 . 1 1 52 52 ALA N N 52 127.710 127.710 127.951 -0.241 25460 6000 1 14 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.871 -0.160 25460 6001 1 14 . 1 1 52 52 ALA C C 52 176.530 176.530 176.700 -0.170 25460 6002 1 14 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.957 0.023 25460 6003 1 14 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.904 0.816 25460 6004 1 14 . 1 1 52 52 ALA H H 52 9.202 9.202 9.205 -0.003 25460 6005 1 14 . 1 1 53 53 ARG N N 53 118.780 118.780 122.227 -3.447 25460 6006 1 14 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.938 -0.082 25460 6007 1 14 . 1 1 53 53 ARG C C 53 177.070 177.070 175.903 1.167 25460 6008 1 14 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.589 0.441 25460 6009 1 14 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.913 -0.873 25460 6010 1 14 . 1 1 53 53 ARG H H 53 9.303 9.303 9.180 0.123 25460 6011 1 14 . 1 1 54 54 GLY N N 54 104.070 104.070 103.073 0.997 25460 6012 1 14 . 1 1 54 54 GLY C C 54 174.110 174.110 173.855 0.255 25460 6013 1 14 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.004 0.356 25460 6014 1 14 . 1 1 54 54 GLY H H 54 8.714 8.714 8.387 0.327 25460 6015 1 14 . 1 1 55 55 HIS N N 55 119.170 119.170 121.063 -1.893 25460 6016 1 14 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.499 0.277 25460 6017 1 14 . 1 1 55 55 HIS C C 55 172.310 172.310 173.519 -1.209 25460 6018 1 14 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.233 -1.204 25460 6019 1 14 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.676 1.424 25460 6020 1 14 . 1 1 55 55 HIS H H 55 8.227 8.227 8.281 -0.054 25460 6021 1 14 . 1 1 56 56 GLU N N 56 119.640 119.640 124.085 -4.445 25460 6022 1 14 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.084 0.003 25460 6023 1 14 . 1 1 56 56 GLU C C 56 176.150 176.150 175.461 0.689 25460 6024 1 14 . 1 1 56 56 GLU CA C 56 55.090 55.090 54.935 0.155 25460 6025 1 14 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.434 1.346 25460 6026 1 14 . 1 1 56 56 GLU H H 56 8.024 8.024 8.638 -0.614 25460 6027 1 14 . 1 1 57 57 PHE N N 57 121.660 121.660 125.187 -3.527 25460 6028 1 14 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.672 0.102 25460 6029 1 14 . 1 1 57 57 PHE C C 57 173.930 173.930 174.879 -0.949 25460 6030 1 14 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.522 -0.052 25460 6031 1 14 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.559 0.891 25460 6032 1 14 . 1 1 57 57 PHE H H 57 9.219 9.219 9.175 0.044 25460 6033 1 14 . 1 1 58 58 GLU N N 58 125.630 125.630 126.955 -1.325 25460 6034 1 14 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.978 0.246 25460 6035 1 14 . 1 1 58 58 GLU C C 58 175.820 175.820 175.860 -0.040 25460 6036 1 14 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.468 -0.008 25460 6037 1 14 . 1 1 58 58 GLU CB C 58 29.950 29.950 30.560 -0.610 25460 6038 1 14 . 1 1 58 58 GLU H H 58 8.597 8.597 8.968 -0.371 25460 6039 1 14 . 1 1 59 59 VAL N N 59 120.690 120.690 122.603 -1.913 25460 6040 1 14 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.470 0.945 25460 6041 1 14 . 1 1 59 59 VAL C C 59 174.790 174.790 173.788 1.002 25460 6042 1 14 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.983 -1.433 25460 6043 1 14 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.878 -0.728 25460 6044 1 14 . 1 1 59 59 VAL H H 59 8.809 8.809 9.026 -0.217 25460 6045 1 14 . 1 1 60 60 GLU N N 60 118.570 118.570 124.032 -5.462 25460 6046 1 14 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.890 -0.273 25460 6047 1 14 . 1 1 60 60 GLU C C 60 176.050 176.050 175.512 0.538 25460 6048 1 14 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.023 0.158 25460 6049 1 14 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.763 -0.713 25460 6050 1 14 . 1 1 60 60 GLU H H 60 8.024 8.024 8.433 -0.409 25460 6051 1 14 . 1 1 61 61 ALA N N 61 132.630 132.630 132.192 0.438 25460 6052 1 14 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.484 0.215 25460 6053 1 14 . 1 1 61 61 ALA C C 61 176.260 176.260 177.295 -1.035 25460 6054 1 14 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.813 -1.293 25460 6055 1 14 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.920 -1.210 25460 6056 1 14 . 1 1 61 61 ALA H H 61 8.230 8.230 8.903 -0.673 25460 6057 1 14 . 1 1 62 62 LYS N N 62 126.080 126.080 124.523 1.557 25460 6058 1 14 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.136 -0.138 25460 6059 1 14 . 1 1 62 62 LYS C C 62 177.030 177.030 176.896 0.134 25460 6060 1 14 . 1 1 62 62 LYS CA C 62 59.590 59.590 58.049 1.541 25460 6061 1 14 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.790 1.750 25460 6062 1 14 . 1 1 62 62 LYS H H 62 9.070 9.070 8.101 0.969 25460 6063 1 14 . 1 1 63 63 ASP N N 63 110.550 110.550 116.972 -6.422 25460 6064 1 14 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.831 -0.445 25460 6065 1 14 . 1 1 63 63 ASP C C 63 175.810 175.810 176.684 -0.874 25460 6066 1 14 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.436 0.714 25460 6067 1 14 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.636 -2.386 25460 6068 1 14 . 1 1 63 63 ASP H H 63 7.507 7.507 7.850 -0.343 25460 6069 1 14 . 1 1 64 64 GLN N N 64 112.740 112.740 120.709 -7.969 25460 6070 1 14 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.114 -0.014 25460 6071 1 14 . 1 1 64 64 GLN C C 64 175.950 175.950 175.808 0.142 25460 6072 1 14 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.504 0.186 25460 6073 1 14 . 1 1 64 64 GLN CB C 64 27.840 27.840 27.793 0.047 25460 6074 1 14 . 1 1 64 64 GLN H H 64 8.410 8.410 8.734 -0.324 25460 6075 1 14 . 1 1 65 65 ASN N N 65 117.790 117.790 116.582 1.208 25460 6076 1 14 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.742 -0.163 25460 6077 1 14 . 1 1 65 65 ASN C C 65 177.250 177.250 175.198 2.052 25460 6078 1 14 . 1 1 65 65 ASN CA C 65 55.120 55.120 52.643 2.477 25460 6079 1 14 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.563 -1.653 25460 6080 1 14 . 1 1 65 65 ASN H H 65 8.747 8.747 7.935 0.812 25460 6081 1 14 . 1 1 66 66 CYS N N 66 112.640 112.640 117.807 -5.167 25460 6082 1 14 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.174 0.251 25460 6083 1 14 . 1 1 66 66 CYS C C 66 174.970 174.970 174.136 0.834 25460 6084 1 14 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.098 -3.968 25460 6085 1 14 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.512 11.648 25460 6086 1 14 . 1 1 66 66 CYS H H 66 8.527 8.527 7.857 0.670 25460 6087 1 14 . 1 1 67 67 LYS N N 67 116.240 116.240 122.540 -6.300 25460 6088 1 14 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.308 -0.131 25460 6089 1 14 . 1 1 67 67 LYS C C 67 178.480 178.480 175.576 2.904 25460 6090 1 14 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.939 1.921 25460 6091 1 14 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.989 0.131 25460 6092 1 14 . 1 1 67 67 LYS H H 67 8.014 8.014 7.928 0.086 25460 6093 1 14 . 1 1 68 68 VAL N N 68 126.980 126.980 127.345 -0.365 25460 6094 1 14 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.165 -0.490 25460 6095 1 14 . 1 1 68 68 VAL C C 68 174.460 174.460 174.108 0.352 25460 6096 1 14 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.786 2.964 25460 6097 1 14 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.629 -1.469 25460 6098 1 14 . 1 1 68 68 VAL H H 68 8.967 8.967 7.854 1.113 25460 6099 1 14 . 1 1 69 69 ILE N N 69 132.540 132.540 128.666 3.874 25460 6100 1 14 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.723 -0.544 25460 6101 1 14 . 1 1 69 69 ILE C C 69 175.060 175.060 175.796 -0.736 25460 6102 1 14 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.601 0.959 25460 6103 1 14 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.543 0.947 25460 6104 1 14 . 1 1 69 69 ILE H H 69 8.689 8.689 7.700 0.989 25460 6105 1 14 . 1 1 70 70 LEU N N 70 125.290 125.290 127.080 -1.790 25460 6106 1 14 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.647 0.651 25460 6107 1 14 . 1 1 70 70 LEU C C 70 180.800 180.800 179.235 1.565 25460 6108 1 14 . 1 1 70 70 LEU CA C 70 53.190 53.190 55.184 -1.994 25460 6109 1 14 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.466 -1.316 25460 6110 1 14 . 1 1 70 70 LEU H H 70 8.829 8.829 9.274 -0.445 25460 6111 1 14 . 1 1 71 71 THR N N 71 115.510 115.510 112.657 2.853 25460 6112 1 14 . 1 1 71 71 THR HA H 71 4.094 4.094 4.245 -0.151 25460 6113 1 14 . 1 1 71 71 THR C C 71 176.240 176.240 175.770 0.470 25460 6114 1 14 . 1 1 71 71 THR CA C 71 63.950 63.950 64.513 -0.562 25460 6115 1 14 . 1 1 71 71 THR CB C 71 68.280 68.280 68.633 -0.353 25460 6116 1 14 . 1 1 71 71 THR H H 71 8.546 8.546 8.426 0.120 25460 6117 1 14 . 1 1 72 72 ASN N N 72 117.010 117.010 119.181 -2.171 25460 6118 1 14 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.754 -0.190 25460 6119 1 14 . 1 1 72 72 ASN C C 72 177.340 177.340 175.955 1.385 25460 6120 1 14 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.302 -0.592 25460 6121 1 14 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.194 -0.974 25460 6122 1 14 . 1 1 72 72 ASN H H 72 8.162 8.162 8.210 -0.048 25460 6123 1 14 . 1 1 73 73 GLY N N 73 106.660 106.660 105.984 0.676 25460 6124 1 14 . 1 1 73 73 GLY C C 73 175.020 175.020 173.545 1.475 25460 6125 1 14 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.656 0.044 25460 6126 1 14 . 1 1 73 73 GLY H H 73 7.985 7.985 7.779 0.206 25460 6127 1 14 . 1 1 74 74 LYS N N 74 120.730 120.730 118.972 1.758 25460 6128 1 14 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.663 -0.365 25460 6129 1 14 . 1 1 74 74 LYS C C 74 175.720 175.720 175.684 0.036 25460 6130 1 14 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.224 1.506 25460 6131 1 14 . 1 1 74 74 LYS CB C 74 32.490 32.490 34.115 -1.625 25460 6132 1 14 . 1 1 74 74 LYS H H 74 7.820 7.820 7.936 -0.116 25460 6133 1 14 . 1 1 75 75 GLN N N 75 119.590 119.590 120.210 -0.620 25460 6134 1 14 . 1 1 75 75 GLN HA H 75 4.156 4.156 5.029 -0.873 25460 6135 1 14 . 1 1 75 75 GLN C C 75 176.490 176.490 175.943 0.547 25460 6136 1 14 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.480 0.100 25460 6137 1 14 . 1 1 75 75 GLN CB C 75 29.020 29.020 30.362 -1.342 25460 6138 1 14 . 1 1 75 75 GLN H H 75 8.273 8.273 8.556 -0.283 25460 6139 1 14 . 1 1 76 76 ALA N N 76 129.340 129.340 122.628 6.712 25460 6140 1 14 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.446 -0.280 25460 6141 1 14 . 1 1 76 76 ALA C C 76 174.920 174.920 175.248 -0.328 25460 6142 1 14 . 1 1 76 76 ALA CA C 76 50.080 50.080 49.736 0.344 25460 6143 1 14 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.020 -0.140 25460 6144 1 14 . 1 1 76 76 ALA H H 76 8.698 8.698 8.305 0.393 25460 6145 1 14 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.095 0.142 25460 6146 1 14 . 1 1 77 77 PRO C C 77 178.170 178.170 176.802 1.368 25460 6147 1 14 . 1 1 77 77 PRO CA C 77 62.170 62.170 62.177 -0.007 25460 6148 1 14 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.237 0.233 25460 6149 1 14 . 1 1 78 78 ASP N N 78 121.040 121.040 120.661 0.379 25460 6150 1 14 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.340 -0.123 25460 6151 1 14 . 1 1 78 78 ASP C C 78 176.610 176.610 177.517 -0.907 25460 6152 1 14 . 1 1 78 78 ASP CA C 78 56.500 56.500 57.264 -0.764 25460 6153 1 14 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.773 -0.243 25460 6154 1 14 . 1 1 78 78 ASP H H 78 8.607 8.607 8.585 0.022 25460 6155 1 14 . 1 1 79 79 TRP N N 79 114.440 114.440 114.860 -0.420 25460 6156 1 14 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.561 -0.069 25460 6157 1 14 . 1 1 79 79 TRP C C 79 175.280 175.280 175.276 0.004 25460 6158 1 14 . 1 1 79 79 TRP CA C 79 54.630 54.630 56.289 -1.659 25460 6159 1 14 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.094 0.046 25460 6160 1 14 . 1 1 79 79 TRP H H 79 6.768 6.768 7.727 -0.959 25460 6161 1 14 . 1 1 80 80 LEU N N 80 123.450 123.450 123.931 -0.481 25460 6162 1 14 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.931 -0.170 25460 6163 1 14 . 1 1 80 80 LEU C C 80 174.270 174.270 175.588 -1.318 25460 6164 1 14 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.459 1.391 25460 6165 1 14 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.539 0.351 25460 6166 1 14 . 1 1 80 80 LEU H H 80 6.577 6.577 6.793 -0.216 25460 6167 1 14 . 1 1 81 81 ALA N N 81 130.910 130.910 130.169 0.741 25460 6168 1 14 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.663 0.004 25460 6169 1 14 . 1 1 81 81 ALA C C 81 175.210 175.210 175.446 -0.236 25460 6170 1 14 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.800 -0.490 25460 6171 1 14 . 1 1 81 81 ALA CB C 81 23.270 23.270 21.947 1.323 25460 6172 1 14 . 1 1 81 81 ALA H H 81 9.037 9.037 9.039 -0.002 25460 6173 1 14 . 1 1 82 82 ALA N N 82 119.120 119.120 124.694 -5.574 25460 6174 1 14 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.245 0.432 25460 6175 1 14 . 1 1 82 82 ALA C C 82 177.280 177.280 175.825 1.455 25460 6176 1 14 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.586 0.424 25460 6177 1 14 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.616 0.623 25460 6178 1 14 . 1 1 82 82 ALA H H 82 8.159 8.159 8.271 -0.112 25460 6179 1 14 . 1 1 83 83 GLU N N 83 116.910 116.910 121.410 -4.500 25460 6180 1 14 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.865 0.073 25460 6181 1 14 . 1 1 83 83 GLU C C 83 172.560 172.560 173.928 -1.368 25460 6182 1 14 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.649 0.361 25460 6183 1 14 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.988 0.482 25460 6184 1 14 . 1 1 83 83 GLU H H 83 8.614 8.614 8.577 0.037 25460 6185 1 14 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.692 0.821 25460 6186 1 14 . 1 1 84 84 PRO C C 84 177.340 177.340 175.668 1.672 25460 6187 1 14 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.247 -0.317 25460 6188 1 14 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.160 0.259 25460 6189 1 15 . 1 1 8 8 GLY N N 8 110.720 110.720 111.012 -0.292 25460 6190 1 15 . 1 1 8 8 GLY C C 8 174.650 174.650 173.296 1.354 25460 6191 1 15 . 1 1 8 8 GLY CA C 8 45.470 45.470 45.427 0.043 25460 6192 1 15 . 1 1 8 8 GLY H H 8 8.462 8.462 8.507 -0.045 25460 6193 1 15 . 1 1 9 9 ARG N N 9 120.430 120.430 122.678 -2.248 25460 6194 1 15 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.348 -0.030 25460 6195 1 15 . 1 1 9 9 ARG C C 9 176.790 176.790 175.279 1.511 25460 6196 1 15 . 1 1 9 9 ARG CA C 9 56.340 56.340 56.008 0.332 25460 6197 1 15 . 1 1 9 9 ARG CB C 9 30.530 30.530 29.608 0.923 25460 6198 1 15 . 1 1 9 9 ARG H H 9 8.206 8.206 8.482 -0.276 25460 6199 1 15 . 1 1 10 10 GLU N N 10 121.220 121.220 121.908 -0.688 25460 6200 1 15 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.332 -0.122 25460 6201 1 15 . 1 1 10 10 GLU C C 10 176.600 176.600 175.533 1.067 25460 6202 1 15 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.059 1.211 25460 6203 1 15 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.374 -0.594 25460 6204 1 15 . 1 1 10 10 GLU H H 10 8.562 8.562 8.007 0.555 25460 6205 1 15 . 1 1 11 11 ASN N N 11 118.900 118.900 121.949 -3.049 25460 6206 1 15 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.579 0.091 25460 6207 1 15 . 1 1 11 11 ASN C C 11 175.420 175.420 173.631 1.789 25460 6208 1 15 . 1 1 11 11 ASN CA C 11 53.450 53.450 53.070 0.380 25460 6209 1 15 . 1 1 11 11 ASN CB C 11 38.710 38.710 40.175 -1.466 25460 6210 1 15 . 1 1 11 11 ASN H H 11 8.337 8.337 8.362 -0.025 25460 6211 1 15 . 1 1 12 12 LEU N N 12 121.830 121.830 127.211 -5.381 25460 6212 1 15 . 1 1 12 12 LEU HA H 12 4.192 4.192 3.888 0.304 25460 6213 1 15 . 1 1 12 12 LEU C C 12 177.290 177.290 175.776 1.514 25460 6214 1 15 . 1 1 12 12 LEU CA C 12 55.630 55.630 55.180 0.450 25460 6215 1 15 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.728 0.532 25460 6216 1 15 . 1 1 12 12 LEU H H 12 7.988 7.988 8.070 -0.082 25460 6217 1 15 . 1 1 13 13 TYR N N 13 119.550 119.550 125.735 -6.185 25460 6218 1 15 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.150 0.348 25460 6219 1 15 . 1 1 13 13 TYR C C 13 175.950 175.950 176.093 -0.143 25460 6220 1 15 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.505 0.425 25460 6221 1 15 . 1 1 13 13 TYR CB C 13 38.590 38.590 38.800 -0.210 25460 6222 1 15 . 1 1 13 13 TYR H H 13 7.966 7.966 7.621 0.345 25460 6223 1 15 . 1 1 14 14 PHE N N 14 121.130 121.130 123.929 -2.799 25460 6224 1 15 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.566 -0.042 25460 6225 1 15 . 1 1 14 14 PHE C C 14 175.820 175.820 176.356 -0.536 25460 6226 1 15 . 1 1 14 14 PHE CA C 14 57.950 57.950 57.994 -0.044 25460 6227 1 15 . 1 1 14 14 PHE CB C 14 39.510 39.510 37.888 1.622 25460 6228 1 15 . 1 1 14 14 PHE H H 14 8.006 8.006 8.539 -0.533 25460 6229 1 15 . 1 1 15 15 GLN N N 15 121.840 121.840 125.788 -3.948 25460 6230 1 15 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.577 -0.392 25460 6231 1 15 . 1 1 15 15 GLN C C 15 176.420 176.420 175.742 0.678 25460 6232 1 15 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.191 0.989 25460 6233 1 15 . 1 1 15 15 GLN CB C 15 29.110 29.110 28.508 0.602 25460 6234 1 15 . 1 1 15 15 GLN H H 15 8.217 8.217 8.572 -0.355 25460 6235 1 15 . 1 1 16 16 GLY N N 16 108.430 108.430 108.918 -0.488 25460 6236 1 15 . 1 1 16 16 GLY C C 16 174.140 174.140 174.258 -0.118 25460 6237 1 15 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.375 0.935 25460 6238 1 15 . 1 1 16 16 GLY H H 16 7.907 7.907 8.319 -0.412 25460 6239 1 15 . 1 1 17 17 HIS N N 17 117.990 117.990 122.337 -4.347 25460 6240 1 15 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.594 -0.717 25460 6241 1 15 . 1 1 17 17 HIS C C 17 174.610 174.610 174.394 0.216 25460 6242 1 15 . 1 1 17 17 HIS CA C 17 55.430 55.430 56.033 -0.604 25460 6243 1 15 . 1 1 17 17 HIS CB C 17 29.280 29.280 28.758 0.522 25460 6244 1 15 . 1 1 17 17 HIS H H 17 8.250 8.250 8.606 -0.356 25460 6245 1 15 . 1 1 18 18 MET N N 18 121.430 121.430 123.853 -2.423 25460 6246 1 15 . 1 1 18 18 MET HA H 18 4.395 4.395 4.565 -0.170 25460 6247 1 15 . 1 1 18 18 MET C C 18 175.750 175.750 176.107 -0.357 25460 6248 1 15 . 1 1 18 18 MET CA C 18 55.660 55.660 54.064 1.596 25460 6249 1 15 . 1 1 18 18 MET CB C 18 32.740 32.740 33.418 -0.678 25460 6250 1 15 . 1 1 18 18 MET H H 18 8.320 8.320 7.805 0.515 25460 6251 1 15 . 1 1 19 19 ALA N N 19 125.550 125.550 121.138 4.412 25460 6252 1 15 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.283 -0.011 25460 6253 1 15 . 1 1 19 19 ALA C C 19 176.950 176.950 176.090 0.860 25460 6254 1 15 . 1 1 19 19 ALA CA C 19 52.260 52.260 52.402 -0.142 25460 6255 1 15 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.802 0.328 25460 6256 1 15 . 1 1 19 19 ALA H H 19 8.262 8.262 8.282 -0.020 25460 6257 1 15 . 1 1 20 20 ALA N N 20 124.430 124.430 118.575 5.855 25460 6258 1 15 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.022 0.514 25460 6259 1 15 . 1 1 20 20 ALA C C 20 175.390 175.390 175.822 -0.432 25460 6260 1 15 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.873 -1.773 25460 6261 1 15 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.387 1.033 25460 6262 1 15 . 1 1 20 20 ALA H H 20 8.083 8.083 7.563 0.520 25460 6263 1 15 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.286 0.164 25460 6264 1 15 . 1 1 21 21 PRO C C 21 175.770 175.770 176.348 -0.578 25460 6265 1 15 . 1 1 21 21 PRO CA C 21 55.520 55.520 64.195 -8.675 25460 6266 1 15 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.193 0.767 25460 6267 1 15 . 1 1 22 22 ALA N N 22 124.420 124.420 119.385 5.035 25460 6268 1 15 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.398 -0.065 25460 6269 1 15 . 1 1 22 22 ALA C C 22 176.920 176.920 176.181 0.739 25460 6270 1 15 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.059 1.291 25460 6271 1 15 . 1 1 22 22 ALA CB C 22 19.190 19.190 20.830 -1.640 25460 6272 1 15 . 1 1 22 22 ALA H H 22 8.235 8.235 7.352 0.883 25460 6273 1 15 . 1 1 23 23 ARG N N 23 120.140 120.140 120.288 -0.148 25460 6274 1 15 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.513 -0.170 25460 6275 1 15 . 1 1 23 23 ARG C C 23 176.220 176.220 175.788 0.432 25460 6276 1 15 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.433 0.567 25460 6277 1 15 . 1 1 23 23 ARG CB C 23 33.490 33.490 32.982 0.508 25460 6278 1 15 . 1 1 23 23 ARG H H 23 9.271 9.271 8.738 0.533 25460 6279 1 15 . 1 1 24 24 PHE N N 24 119.130 119.130 117.536 1.594 25460 6280 1 15 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.719 -0.337 25460 6281 1 15 . 1 1 24 24 PHE C C 24 175.910 175.910 174.328 1.582 25460 6282 1 15 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.120 0.730 25460 6283 1 15 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.479 0.081 25460 6284 1 15 . 1 1 24 24 PHE H H 24 9.270 9.270 8.359 0.911 25460 6285 1 15 . 1 1 25 25 CYS N N 25 116.300 116.300 119.379 -3.079 25460 6286 1 15 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.312 0.007 25460 6287 1 15 . 1 1 25 25 CYS C C 25 172.990 172.990 174.205 -1.215 25460 6288 1 15 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.715 -3.515 25460 6289 1 15 . 1 1 25 25 CYS CB C 25 39.740 39.740 29.461 10.279 25460 6290 1 15 . 1 1 25 25 CYS H H 25 9.254 9.254 9.397 -0.143 25460 6291 1 15 . 1 1 26 26 VAL N N 26 126.290 126.290 123.646 2.644 25460 6292 1 15 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.458 -0.076 25460 6293 1 15 . 1 1 26 26 VAL C C 26 174.520 174.520 175.054 -0.534 25460 6294 1 15 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.250 -0.510 25460 6295 1 15 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.456 -0.076 25460 6296 1 15 . 1 1 26 26 VAL H H 26 9.512 9.512 9.106 0.406 25460 6297 1 15 . 1 1 27 27 TYR N N 27 123.620 123.620 127.335 -3.715 25460 6298 1 15 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.435 -0.291 25460 6299 1 15 . 1 1 27 27 TYR C C 27 175.400 175.400 175.218 0.182 25460 6300 1 15 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.350 0.750 25460 6301 1 15 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.138 0.722 25460 6302 1 15 . 1 1 27 27 TYR H H 27 8.240 8.240 8.869 -0.629 25460 6303 1 15 . 1 1 28 28 TYR N N 28 119.740 119.740 120.323 -0.583 25460 6304 1 15 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.314 -0.041 25460 6305 1 15 . 1 1 28 28 TYR C C 28 174.590 174.590 174.717 -0.127 25460 6306 1 15 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.416 0.484 25460 6307 1 15 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.785 1.305 25460 6308 1 15 . 1 1 28 28 TYR H H 28 9.448 9.448 9.252 0.196 25460 6309 1 15 . 1 1 29 29 ASP N N 29 118.650 118.650 123.455 -4.805 25460 6310 1 15 . 1 1 29 29 ASP HA H 29 5.255 5.255 4.987 0.268 25460 6311 1 15 . 1 1 29 29 ASP C C 29 177.670 177.670 175.992 1.678 25460 6312 1 15 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.467 -1.667 25460 6313 1 15 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.975 -0.625 25460 6314 1 15 . 1 1 29 29 ASP H H 29 8.995 8.995 9.121 -0.126 25460 6315 1 15 . 1 1 30 30 GLY N N 30 114.740 114.740 114.696 0.044 25460 6316 1 15 . 1 1 30 30 GLY C C 30 173.320 173.320 172.323 0.997 25460 6317 1 15 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.045 -0.935 25460 6318 1 15 . 1 1 30 30 GLY H H 30 9.046 9.046 9.020 0.026 25460 6319 1 15 . 1 1 31 31 HIS N N 31 113.880 113.880 116.171 -2.291 25460 6320 1 15 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.632 -0.139 25460 6321 1 15 . 1 1 31 31 HIS C C 31 175.230 175.230 174.709 0.521 25460 6322 1 15 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.508 0.472 25460 6323 1 15 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.380 0.250 25460 6324 1 15 . 1 1 31 31 HIS H H 31 8.306 8.306 8.503 -0.197 25460 6325 1 15 . 1 1 32 32 LEU N N 32 124.060 124.060 123.849 0.211 25460 6326 1 15 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.619 0.205 25460 6327 1 15 . 1 1 32 32 LEU C C 32 176.030 176.030 176.230 -0.200 25460 6328 1 15 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.685 1.395 25460 6329 1 15 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.163 -1.623 25460 6330 1 15 . 1 1 32 32 LEU H H 32 8.477 8.477 7.546 0.931 25460 6331 1 15 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.148 -0.395 25460 6332 1 15 . 1 1 33 33 PRO C C 33 177.880 177.880 177.231 0.649 25460 6333 1 15 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.975 0.525 25460 6334 1 15 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.858 -0.088 25460 6335 1 15 . 1 1 34 34 ALA N N 34 115.220 115.220 115.070 0.150 25460 6336 1 15 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.322 -0.129 25460 6337 1 15 . 1 1 34 34 ALA C C 34 179.120 179.120 177.777 1.343 25460 6338 1 15 . 1 1 34 34 ALA CA C 34 54.610 54.610 52.797 1.813 25460 6339 1 15 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.082 0.348 25460 6340 1 15 . 1 1 34 34 ALA H H 34 8.193 8.193 7.803 0.390 25460 6341 1 15 . 1 1 35 35 THR N N 35 102.120 102.120 113.818 -11.698 25460 6342 1 15 . 1 1 35 35 THR HA H 35 4.597 4.597 4.515 0.082 25460 6343 1 15 . 1 1 35 35 THR C C 35 175.610 175.610 174.271 1.339 25460 6344 1 15 . 1 1 35 35 THR CA C 35 60.400 60.400 61.814 -1.414 25460 6345 1 15 . 1 1 35 35 THR CB C 35 70.550 70.550 70.140 0.410 25460 6346 1 15 . 1 1 35 35 THR H H 35 7.187 7.187 7.776 -0.589 25460 6347 1 15 . 1 1 36 36 ARG N N 36 122.520 122.520 123.209 -0.689 25460 6348 1 15 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.868 -0.105 25460 6349 1 15 . 1 1 36 36 ARG C C 36 175.220 175.220 174.982 0.238 25460 6350 1 15 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.382 1.708 25460 6351 1 15 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.782 -0.902 25460 6352 1 15 . 1 1 36 36 ARG H H 36 7.918 7.918 7.598 0.320 25460 6353 1 15 . 1 1 37 37 VAL N N 37 122.110 122.110 123.155 -1.045 25460 6354 1 15 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.380 -0.039 25460 6355 1 15 . 1 1 37 37 VAL C C 37 175.690 175.690 175.071 0.619 25460 6356 1 15 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.828 0.502 25460 6357 1 15 . 1 1 37 37 VAL CB C 37 35.050 35.050 34.382 0.668 25460 6358 1 15 . 1 1 37 37 VAL H H 37 8.603 8.603 8.875 -0.272 25460 6359 1 15 . 1 1 38 38 LEU N N 38 130.470 130.470 129.536 0.934 25460 6360 1 15 . 1 1 38 38 LEU HA H 38 3.769 3.769 3.831 -0.062 25460 6361 1 15 . 1 1 38 38 LEU C C 38 176.510 176.510 175.860 0.650 25460 6362 1 15 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.368 1.002 25460 6363 1 15 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.430 0.390 25460 6364 1 15 . 1 1 38 38 LEU H H 38 8.708 8.708 8.881 -0.173 25460 6365 1 15 . 1 1 39 39 LEU N N 39 126.440 126.440 128.706 -2.266 25460 6366 1 15 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.353 0.274 25460 6367 1 15 . 1 1 39 39 LEU C C 39 176.800 176.800 177.102 -0.302 25460 6368 1 15 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.950 -0.220 25460 6369 1 15 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.012 -0.682 25460 6370 1 15 . 1 1 39 39 LEU H H 39 9.254 9.254 8.991 0.263 25460 6371 1 15 . 1 1 40 40 MET N N 40 114.550 114.550 111.508 3.042 25460 6372 1 15 . 1 1 40 40 MET HA H 40 4.471 4.471 4.558 -0.087 25460 6373 1 15 . 1 1 40 40 MET C C 40 173.750 173.750 173.479 0.271 25460 6374 1 15 . 1 1 40 40 MET CA C 40 56.040 56.040 54.700 1.340 25460 6375 1 15 . 1 1 40 40 MET CB C 40 36.880 36.880 35.307 1.573 25460 6376 1 15 . 1 1 40 40 MET H H 40 7.054 7.054 7.429 -0.375 25460 6377 1 15 . 1 1 41 41 TYR N N 41 123.270 123.270 119.114 4.156 25460 6378 1 15 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.583 -0.770 25460 6379 1 15 . 1 1 41 41 TYR C C 41 175.680 175.680 175.524 0.156 25460 6380 1 15 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.128 0.812 25460 6381 1 15 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.893 -0.433 25460 6382 1 15 . 1 1 41 41 TYR H H 41 8.563 8.563 8.486 0.077 25460 6383 1 15 . 1 1 42 42 VAL N N 42 123.930 123.930 120.607 3.323 25460 6384 1 15 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.503 -0.094 25460 6385 1 15 . 1 1 42 42 VAL C C 42 175.600 175.600 174.976 0.624 25460 6386 1 15 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.787 0.693 25460 6387 1 15 . 1 1 42 42 VAL CB C 42 35.310 35.310 34.689 0.621 25460 6388 1 15 . 1 1 42 42 VAL H H 42 9.442 9.442 9.195 0.247 25460 6389 1 15 . 1 1 43 43 ARG N N 43 129.290 129.290 125.418 3.872 25460 6390 1 15 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.648 -0.724 25460 6391 1 15 . 1 1 43 43 ARG C C 43 177.010 177.010 176.860 0.150 25460 6392 1 15 . 1 1 43 43 ARG CA C 43 56.760 56.760 54.620 2.140 25460 6393 1 15 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.615 -0.635 25460 6394 1 15 . 1 1 43 43 ARG H H 43 8.940 8.940 8.677 0.263 25460 6395 1 15 . 1 1 44 44 ILE N N 44 128.260 128.260 124.641 3.619 25460 6396 1 15 . 1 1 44 44 ILE HA H 44 3.686 3.686 4.044 -0.358 25460 6397 1 15 . 1 1 44 44 ILE C C 44 177.020 177.020 176.972 0.048 25460 6398 1 15 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.056 2.874 25460 6399 1 15 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.524 1.716 25460 6400 1 15 . 1 1 44 44 ILE H H 44 8.345 8.345 8.498 -0.153 25460 6401 1 15 . 1 1 45 45 GLY N N 45 115.530 115.530 115.765 -0.235 25460 6402 1 15 . 1 1 45 45 GLY C C 45 174.860 174.860 173.530 1.330 25460 6403 1 15 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.789 -0.549 25460 6404 1 15 . 1 1 45 45 GLY H H 45 9.423 9.423 9.133 0.290 25460 6405 1 15 . 1 1 46 46 THR N N 46 111.410 111.410 113.487 -2.077 25460 6406 1 15 . 1 1 46 46 THR HA H 46 4.974 4.974 4.750 0.224 25460 6407 1 15 . 1 1 46 46 THR C C 46 172.310 172.310 173.590 -1.280 25460 6408 1 15 . 1 1 46 46 THR CA C 46 60.280 60.280 59.877 0.403 25460 6409 1 15 . 1 1 46 46 THR CB C 46 72.160 72.160 71.105 1.056 25460 6410 1 15 . 1 1 46 46 THR H H 46 7.925 7.925 8.012 -0.087 25460 6411 1 15 . 1 1 47 47 THR N N 47 109.430 109.430 112.883 -3.453 25460 6412 1 15 . 1 1 47 47 THR HA H 47 5.383 5.383 5.086 0.297 25460 6413 1 15 . 1 1 47 47 THR C C 47 174.560 174.560 173.865 0.695 25460 6414 1 15 . 1 1 47 47 THR CA C 47 59.240 59.240 60.373 -1.133 25460 6415 1 15 . 1 1 47 47 THR CB C 47 71.840 71.840 70.722 1.118 25460 6416 1 15 . 1 1 47 47 THR H H 47 7.784 7.784 8.309 -0.525 25460 6417 1 15 . 1 1 48 48 ALA N N 48 122.630 122.630 123.542 -0.912 25460 6418 1 15 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.603 0.055 25460 6419 1 15 . 1 1 48 48 ALA C C 48 175.620 175.620 175.210 0.410 25460 6420 1 15 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.790 -0.190 25460 6421 1 15 . 1 1 48 48 ALA CB C 48 24.410 24.410 21.732 2.678 25460 6422 1 15 . 1 1 48 48 ALA H H 48 8.681 8.681 8.800 -0.119 25460 6423 1 15 . 1 1 49 49 THR N N 49 116.020 116.020 119.837 -3.817 25460 6424 1 15 . 1 1 49 49 THR HA H 49 4.914 4.914 4.516 0.398 25460 6425 1 15 . 1 1 49 49 THR C C 49 174.400 174.400 173.887 0.513 25460 6426 1 15 . 1 1 49 49 THR CA C 49 62.320 62.320 62.496 -0.176 25460 6427 1 15 . 1 1 49 49 THR CB C 49 69.260 69.260 68.755 0.505 25460 6428 1 15 . 1 1 49 49 THR H H 49 8.347 8.347 8.425 -0.078 25460 6429 1 15 . 1 1 50 50 ILE N N 50 126.050 126.050 128.483 -2.433 25460 6430 1 15 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.275 0.161 25460 6431 1 15 . 1 1 50 50 ILE C C 50 175.080 175.080 175.823 -0.743 25460 6432 1 15 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.927 0.583 25460 6433 1 15 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.300 1.371 25460 6434 1 15 . 1 1 50 50 ILE H H 50 9.199 9.199 8.984 0.215 25460 6435 1 15 . 1 1 51 51 THR N N 51 120.630 120.630 122.286 -1.656 25460 6436 1 15 . 1 1 51 51 THR HA H 51 5.312 5.312 5.586 -0.274 25460 6437 1 15 . 1 1 51 51 THR C C 51 174.250 174.250 173.295 0.955 25460 6438 1 15 . 1 1 51 51 THR CA C 51 61.030 61.030 61.014 0.015 25460 6439 1 15 . 1 1 51 51 THR CB C 51 69.850 69.850 70.350 -0.500 25460 6440 1 15 . 1 1 51 51 THR H H 51 8.500 8.500 8.549 -0.049 25460 6441 1 15 . 1 1 52 52 ALA N N 52 127.710 127.710 127.812 -0.102 25460 6442 1 15 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.913 -0.202 25460 6443 1 15 . 1 1 52 52 ALA C C 52 176.530 176.530 176.928 -0.398 25460 6444 1 15 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.601 0.379 25460 6445 1 15 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.846 0.874 25460 6446 1 15 . 1 1 52 52 ALA H H 52 9.202 9.202 9.268 -0.066 25460 6447 1 15 . 1 1 53 53 ARG N N 53 118.780 118.780 122.306 -3.526 25460 6448 1 15 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.974 -0.118 25460 6449 1 15 . 1 1 53 53 ARG C C 53 177.070 177.070 175.919 1.151 25460 6450 1 15 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.717 0.313 25460 6451 1 15 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.884 -0.844 25460 6452 1 15 . 1 1 53 53 ARG H H 53 9.303 9.303 9.232 0.071 25460 6453 1 15 . 1 1 54 54 GLY N N 54 104.070 104.070 103.155 0.915 25460 6454 1 15 . 1 1 54 54 GLY C C 54 174.110 174.110 173.979 0.131 25460 6455 1 15 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.026 0.334 25460 6456 1 15 . 1 1 54 54 GLY H H 54 8.714 8.714 8.456 0.258 25460 6457 1 15 . 1 1 55 55 HIS N N 55 119.170 119.170 120.616 -1.446 25460 6458 1 15 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.520 0.256 25460 6459 1 15 . 1 1 55 55 HIS C C 55 172.310 172.310 173.674 -1.364 25460 6460 1 15 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.474 -1.444 25460 6461 1 15 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.063 1.037 25460 6462 1 15 . 1 1 55 55 HIS H H 55 8.227 8.227 8.308 -0.081 25460 6463 1 15 . 1 1 56 56 GLU N N 56 119.640 119.640 122.960 -3.320 25460 6464 1 15 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.145 -0.058 25460 6465 1 15 . 1 1 56 56 GLU C C 56 176.150 176.150 175.503 0.647 25460 6466 1 15 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.097 -0.007 25460 6467 1 15 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.458 1.322 25460 6468 1 15 . 1 1 56 56 GLU H H 56 8.024 8.024 8.587 -0.563 25460 6469 1 15 . 1 1 57 57 PHE N N 57 121.660 121.660 125.015 -3.355 25460 6470 1 15 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.728 0.046 25460 6471 1 15 . 1 1 57 57 PHE C C 57 173.930 173.930 174.872 -0.942 25460 6472 1 15 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.852 -0.382 25460 6473 1 15 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.551 0.899 25460 6474 1 15 . 1 1 57 57 PHE H H 57 9.219 9.219 9.197 0.022 25460 6475 1 15 . 1 1 58 58 GLU N N 58 125.630 125.630 126.770 -1.140 25460 6476 1 15 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.916 0.308 25460 6477 1 15 . 1 1 58 58 GLU C C 58 175.820 175.820 175.846 -0.026 25460 6478 1 15 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.275 0.185 25460 6479 1 15 . 1 1 58 58 GLU CB C 58 29.950 29.950 30.523 -0.573 25460 6480 1 15 . 1 1 58 58 GLU H H 58 8.597 8.597 8.972 -0.375 25460 6481 1 15 . 1 1 59 59 VAL N N 59 120.690 120.690 120.746 -0.056 25460 6482 1 15 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.679 0.736 25460 6483 1 15 . 1 1 59 59 VAL C C 59 174.790 174.790 173.849 0.941 25460 6484 1 15 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.418 -0.868 25460 6485 1 15 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.533 -0.383 25460 6486 1 15 . 1 1 59 59 VAL H H 59 8.809 8.809 9.099 -0.290 25460 6487 1 15 . 1 1 60 60 GLU N N 60 118.570 118.570 122.165 -3.595 25460 6488 1 15 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.922 -0.305 25460 6489 1 15 . 1 1 60 60 GLU C C 60 176.050 176.050 175.483 0.567 25460 6490 1 15 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.280 -0.100 25460 6491 1 15 . 1 1 60 60 GLU CB C 60 32.050 32.050 33.391 -1.341 25460 6492 1 15 . 1 1 60 60 GLU H H 60 8.024 8.024 8.858 -0.834 25460 6493 1 15 . 1 1 61 61 ALA N N 61 132.630 132.630 132.024 0.606 25460 6494 1 15 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.696 0.003 25460 6495 1 15 . 1 1 61 61 ALA C C 61 176.260 176.260 177.004 -0.744 25460 6496 1 15 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.251 -0.731 25460 6497 1 15 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.389 -0.679 25460 6498 1 15 . 1 1 61 61 ALA H H 61 8.230 8.230 8.925 -0.695 25460 6499 1 15 . 1 1 62 62 LYS N N 62 126.080 126.080 122.657 3.423 25460 6500 1 15 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.303 -0.305 25460 6501 1 15 . 1 1 62 62 LYS C C 62 177.030 177.030 176.844 0.186 25460 6502 1 15 . 1 1 62 62 LYS CA C 62 59.590 59.590 59.369 0.221 25460 6503 1 15 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.127 1.413 25460 6504 1 15 . 1 1 62 62 LYS H H 62 9.070 9.070 7.875 1.195 25460 6505 1 15 . 1 1 63 63 ASP N N 63 110.550 110.550 115.505 -4.955 25460 6506 1 15 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.845 -0.459 25460 6507 1 15 . 1 1 63 63 ASP C C 63 175.810 175.810 176.960 -1.150 25460 6508 1 15 . 1 1 63 63 ASP CA C 63 53.150 53.150 53.699 -0.549 25460 6509 1 15 . 1 1 63 63 ASP CB C 63 41.250 41.250 44.115 -2.865 25460 6510 1 15 . 1 1 63 63 ASP H H 63 7.507 7.507 8.027 -0.520 25460 6511 1 15 . 1 1 64 64 GLN N N 64 112.740 112.740 119.808 -7.068 25460 6512 1 15 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.073 0.027 25460 6513 1 15 . 1 1 64 64 GLN C C 64 175.950 175.950 176.139 -0.189 25460 6514 1 15 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.523 0.167 25460 6515 1 15 . 1 1 64 64 GLN CB C 64 27.840 27.840 27.867 -0.027 25460 6516 1 15 . 1 1 64 64 GLN H H 64 8.410 8.410 8.922 -0.512 25460 6517 1 15 . 1 1 65 65 ASN N N 65 117.790 117.790 117.361 0.429 25460 6518 1 15 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.625 -0.046 25460 6519 1 15 . 1 1 65 65 ASN C C 65 177.250 177.250 175.705 1.545 25460 6520 1 15 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.495 1.625 25460 6521 1 15 . 1 1 65 65 ASN CB C 65 37.910 37.910 38.767 -0.857 25460 6522 1 15 . 1 1 65 65 ASN H H 65 8.747 8.747 7.863 0.884 25460 6523 1 15 . 1 1 66 66 CYS N N 66 112.640 112.640 116.538 -3.898 25460 6524 1 15 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.151 0.274 25460 6525 1 15 . 1 1 66 66 CYS C C 66 174.970 174.970 173.949 1.021 25460 6526 1 15 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.108 -3.978 25460 6527 1 15 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.452 11.708 25460 6528 1 15 . 1 1 66 66 CYS H H 66 8.527 8.527 7.974 0.553 25460 6529 1 15 . 1 1 67 67 LYS N N 67 116.240 116.240 121.429 -5.189 25460 6530 1 15 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.111 0.066 25460 6531 1 15 . 1 1 67 67 LYS C C 67 178.480 178.480 176.482 1.998 25460 6532 1 15 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.709 1.151 25460 6533 1 15 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.661 0.459 25460 6534 1 15 . 1 1 67 67 LYS H H 67 8.014 8.014 7.999 0.015 25460 6535 1 15 . 1 1 68 68 VAL N N 68 126.980 126.980 128.262 -1.282 25460 6536 1 15 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.085 -0.410 25460 6537 1 15 . 1 1 68 68 VAL C C 68 174.460 174.460 174.280 0.180 25460 6538 1 15 . 1 1 68 68 VAL CA C 68 64.750 64.750 62.129 2.621 25460 6539 1 15 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.948 -1.788 25460 6540 1 15 . 1 1 68 68 VAL H H 68 8.967 8.967 8.108 0.859 25460 6541 1 15 . 1 1 69 69 ILE N N 69 132.540 132.540 127.940 4.600 25460 6542 1 15 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.656 -0.477 25460 6543 1 15 . 1 1 69 69 ILE C C 69 175.060 175.060 175.453 -0.393 25460 6544 1 15 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.631 0.929 25460 6545 1 15 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.156 1.334 25460 6546 1 15 . 1 1 69 69 ILE H H 69 8.689 8.689 7.800 0.889 25460 6547 1 15 . 1 1 70 70 LEU N N 70 125.290 125.290 126.692 -1.402 25460 6548 1 15 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.819 0.479 25460 6549 1 15 . 1 1 70 70 LEU C C 70 180.800 180.800 179.283 1.517 25460 6550 1 15 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.615 -1.425 25460 6551 1 15 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.765 -1.615 25460 6552 1 15 . 1 1 70 70 LEU H H 70 8.829 8.829 9.305 -0.476 25460 6553 1 15 . 1 1 71 71 THR N N 71 115.510 115.510 114.704 0.806 25460 6554 1 15 . 1 1 71 71 THR HA H 71 4.094 4.094 4.175 -0.081 25460 6555 1 15 . 1 1 71 71 THR C C 71 176.240 176.240 175.736 0.504 25460 6556 1 15 . 1 1 71 71 THR CA C 71 63.950 63.950 65.180 -1.230 25460 6557 1 15 . 1 1 71 71 THR CB C 71 68.280 68.280 68.519 -0.239 25460 6558 1 15 . 1 1 71 71 THR H H 71 8.546 8.546 8.832 -0.286 25460 6559 1 15 . 1 1 72 72 ASN N N 72 117.010 117.010 118.725 -1.715 25460 6560 1 15 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.781 -0.217 25460 6561 1 15 . 1 1 72 72 ASN C C 72 177.340 177.340 175.885 1.455 25460 6562 1 15 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.202 -0.492 25460 6563 1 15 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.493 -1.273 25460 6564 1 15 . 1 1 72 72 ASN H H 72 8.162 8.162 8.146 0.016 25460 6565 1 15 . 1 1 73 73 GLY N N 73 106.660 106.660 106.382 0.278 25460 6566 1 15 . 1 1 73 73 GLY C C 73 175.020 175.020 173.497 1.523 25460 6567 1 15 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.631 0.069 25460 6568 1 15 . 1 1 73 73 GLY H H 73 7.985 7.985 7.951 0.034 25460 6569 1 15 . 1 1 74 74 LYS N N 74 120.730 120.730 118.694 2.036 25460 6570 1 15 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.695 -0.397 25460 6571 1 15 . 1 1 74 74 LYS C C 74 175.720 175.720 175.300 0.420 25460 6572 1 15 . 1 1 74 74 LYS CA C 74 55.730 55.730 53.935 1.795 25460 6573 1 15 . 1 1 74 74 LYS CB C 74 32.490 32.490 34.709 -2.219 25460 6574 1 15 . 1 1 74 74 LYS H H 74 7.820 7.820 7.974 -0.154 25460 6575 1 15 . 1 1 75 75 GLN N N 75 119.590 119.590 118.780 0.810 25460 6576 1 15 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.940 -0.784 25460 6577 1 15 . 1 1 75 75 GLN C C 75 176.490 176.490 175.943 0.547 25460 6578 1 15 . 1 1 75 75 GLN CA C 75 55.580 55.580 54.779 0.801 25460 6579 1 15 . 1 1 75 75 GLN CB C 75 29.020 29.020 30.504 -1.484 25460 6580 1 15 . 1 1 75 75 GLN H H 75 8.273 8.273 8.366 -0.093 25460 6581 1 15 . 1 1 76 76 ALA N N 76 129.340 129.340 124.210 5.130 25460 6582 1 15 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.410 -0.244 25460 6583 1 15 . 1 1 76 76 ALA C C 76 174.920 174.920 175.573 -0.653 25460 6584 1 15 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.336 -0.256 25460 6585 1 15 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.001 -0.121 25460 6586 1 15 . 1 1 76 76 ALA H H 76 8.698 8.698 8.097 0.601 25460 6587 1 15 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.176 0.061 25460 6588 1 15 . 1 1 77 77 PRO C C 77 178.170 178.170 176.884 1.286 25460 6589 1 15 . 1 1 77 77 PRO CA C 77 62.170 62.170 62.223 -0.053 25460 6590 1 15 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.594 -0.124 25460 6591 1 15 . 1 1 78 78 ASP N N 78 121.040 121.040 119.588 1.452 25460 6592 1 15 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.241 -0.024 25460 6593 1 15 . 1 1 78 78 ASP C C 78 176.610 176.610 176.084 0.526 25460 6594 1 15 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.268 0.232 25460 6595 1 15 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.926 -0.396 25460 6596 1 15 . 1 1 78 78 ASP H H 78 8.607 8.607 8.449 0.158 25460 6597 1 15 . 1 1 79 79 TRP N N 79 114.440 114.440 112.581 1.859 25460 6598 1 15 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.523 -0.031 25460 6599 1 15 . 1 1 79 79 TRP C C 79 175.280 175.280 175.043 0.237 25460 6600 1 15 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.452 -0.822 25460 6601 1 15 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.295 -0.155 25460 6602 1 15 . 1 1 79 79 TRP H H 79 6.768 6.768 7.268 -0.500 25460 6603 1 15 . 1 1 80 80 LEU N N 80 123.450 123.450 123.939 -0.489 25460 6604 1 15 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.913 -0.152 25460 6605 1 15 . 1 1 80 80 LEU C C 80 174.270 174.270 175.265 -0.995 25460 6606 1 15 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.464 1.386 25460 6607 1 15 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.559 0.331 25460 6608 1 15 . 1 1 80 80 LEU H H 80 6.577 6.577 6.908 -0.331 25460 6609 1 15 . 1 1 81 81 ALA N N 81 130.910 130.910 129.983 0.927 25460 6610 1 15 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.687 -0.020 25460 6611 1 15 . 1 1 81 81 ALA C C 81 175.210 175.210 175.297 -0.087 25460 6612 1 15 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.472 -0.162 25460 6613 1 15 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.685 0.585 25460 6614 1 15 . 1 1 81 81 ALA H H 81 9.037 9.037 8.811 0.226 25460 6615 1 15 . 1 1 82 82 ALA N N 82 119.120 119.120 124.103 -4.983 25460 6616 1 15 . 1 1 82 82 ALA HA H 82 5.677 5.677 4.671 1.006 25460 6617 1 15 . 1 1 82 82 ALA C C 82 177.280 177.280 176.743 0.537 25460 6618 1 15 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.705 0.305 25460 6619 1 15 . 1 1 82 82 ALA CB C 82 22.240 22.240 20.744 1.496 25460 6620 1 15 . 1 1 82 82 ALA H H 82 8.159 8.159 8.329 -0.170 25460 6621 1 15 . 1 1 83 83 GLU N N 83 116.910 116.910 123.834 -6.924 25460 6622 1 15 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.841 0.097 25460 6623 1 15 . 1 1 83 83 GLU C C 83 172.560 172.560 174.445 -1.885 25460 6624 1 15 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.916 0.094 25460 6625 1 15 . 1 1 83 83 GLU CB C 83 32.470 32.470 30.893 1.577 25460 6626 1 15 . 1 1 83 83 GLU H H 83 8.614 8.614 8.788 -0.174 25460 6627 1 15 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.590 0.923 25460 6628 1 15 . 1 1 84 84 PRO C C 84 177.340 177.340 176.112 1.228 25460 6629 1 15 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.775 -0.845 25460 6630 1 15 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.803 0.617 25460 6631 1 16 . 1 1 8 8 GLY N N 8 110.720 110.720 109.808 0.912 25460 6632 1 16 . 1 1 8 8 GLY C C 8 174.650 174.650 174.720 -0.070 25460 6633 1 16 . 1 1 8 8 GLY CA C 8 45.470 45.470 45.176 0.294 25460 6634 1 16 . 1 1 8 8 GLY H H 8 8.462 8.462 8.341 0.121 25460 6635 1 16 . 1 1 9 9 ARG N N 9 120.430 120.430 122.967 -2.537 25460 6636 1 16 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.401 -0.083 25460 6637 1 16 . 1 1 9 9 ARG C C 9 176.790 176.790 175.682 1.108 25460 6638 1 16 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.921 0.419 25460 6639 1 16 . 1 1 9 9 ARG CB C 9 30.530 30.530 29.143 1.387 25460 6640 1 16 . 1 1 9 9 ARG H H 9 8.206 8.206 8.562 -0.356 25460 6641 1 16 . 1 1 10 10 GLU N N 10 121.220 121.220 123.070 -1.850 25460 6642 1 16 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.330 -0.120 25460 6643 1 16 . 1 1 10 10 GLU C C 10 176.600 176.600 175.794 0.806 25460 6644 1 16 . 1 1 10 10 GLU CA C 10 57.270 57.270 55.545 1.725 25460 6645 1 16 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.926 -1.146 25460 6646 1 16 . 1 1 10 10 GLU H H 10 8.562 8.562 8.056 0.506 25460 6647 1 16 . 1 1 11 11 ASN N N 11 118.900 118.900 117.715 1.185 25460 6648 1 16 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.737 -0.067 25460 6649 1 16 . 1 1 11 11 ASN C C 11 175.420 175.420 173.453 1.967 25460 6650 1 16 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.534 0.916 25460 6651 1 16 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.834 -1.125 25460 6652 1 16 . 1 1 11 11 ASN H H 11 8.337 8.337 8.369 -0.032 25460 6653 1 16 . 1 1 12 12 LEU N N 12 121.830 121.830 124.163 -2.333 25460 6654 1 16 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.025 0.167 25460 6655 1 16 . 1 1 12 12 LEU C C 12 177.290 177.290 175.177 2.113 25460 6656 1 16 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.739 0.891 25460 6657 1 16 . 1 1 12 12 LEU CB C 12 42.260 42.260 39.841 2.419 25460 6658 1 16 . 1 1 12 12 LEU H H 12 7.988 7.988 8.407 -0.419 25460 6659 1 16 . 1 1 13 13 TYR N N 13 119.550 119.550 125.405 -5.855 25460 6660 1 16 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.366 0.132 25460 6661 1 16 . 1 1 13 13 TYR C C 13 175.950 175.950 174.734 1.216 25460 6662 1 16 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.713 0.217 25460 6663 1 16 . 1 1 13 13 TYR CB C 13 38.590 38.590 39.655 -1.065 25460 6664 1 16 . 1 1 13 13 TYR H H 13 7.966 7.966 7.596 0.370 25460 6665 1 16 . 1 1 14 14 PHE N N 14 121.130 121.130 124.938 -3.808 25460 6666 1 16 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.626 -0.102 25460 6667 1 16 . 1 1 14 14 PHE C C 14 175.820 175.820 175.135 0.685 25460 6668 1 16 . 1 1 14 14 PHE CA C 14 57.950 57.950 56.355 1.595 25460 6669 1 16 . 1 1 14 14 PHE CB C 14 39.510 39.510 40.560 -1.050 25460 6670 1 16 . 1 1 14 14 PHE H H 14 8.006 8.006 7.881 0.125 25460 6671 1 16 . 1 1 15 15 GLN N N 15 121.840 121.840 123.825 -1.985 25460 6672 1 16 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.405 -0.220 25460 6673 1 16 . 1 1 15 15 GLN C C 15 176.420 176.420 175.886 0.534 25460 6674 1 16 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.293 0.887 25460 6675 1 16 . 1 1 15 15 GLN CB C 15 29.110 29.110 28.552 0.558 25460 6676 1 16 . 1 1 15 15 GLN H H 15 8.217 8.217 8.743 -0.526 25460 6677 1 16 . 1 1 16 16 GLY N N 16 108.430 108.430 112.533 -4.103 25460 6678 1 16 . 1 1 16 16 GLY C C 16 174.140 174.140 174.043 0.097 25460 6679 1 16 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.576 0.734 25460 6680 1 16 . 1 1 16 16 GLY H H 16 7.907 7.907 8.175 -0.268 25460 6681 1 16 . 1 1 17 17 HIS N N 17 117.990 117.990 119.989 -1.999 25460 6682 1 16 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.585 -0.708 25460 6683 1 16 . 1 1 17 17 HIS C C 17 174.610 174.610 174.289 0.321 25460 6684 1 16 . 1 1 17 17 HIS CA C 17 55.430 55.430 56.468 -1.038 25460 6685 1 16 . 1 1 17 17 HIS CB C 17 29.280 29.280 28.337 0.944 25460 6686 1 16 . 1 1 17 17 HIS H H 17 8.250 8.250 8.448 -0.198 25460 6687 1 16 . 1 1 18 18 MET N N 18 121.430 121.430 124.289 -2.859 25460 6688 1 16 . 1 1 18 18 MET HA H 18 4.395 4.395 4.562 -0.167 25460 6689 1 16 . 1 1 18 18 MET C C 18 175.750 175.750 175.322 0.428 25460 6690 1 16 . 1 1 18 18 MET CA C 18 55.660 55.660 54.439 1.221 25460 6691 1 16 . 1 1 18 18 MET CB C 18 32.740 32.740 35.395 -2.655 25460 6692 1 16 . 1 1 18 18 MET H H 18 8.320 8.320 7.896 0.424 25460 6693 1 16 . 1 1 19 19 ALA N N 19 125.550 125.550 123.959 1.591 25460 6694 1 16 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.640 -0.368 25460 6695 1 16 . 1 1 19 19 ALA C C 19 176.950 176.950 175.830 1.120 25460 6696 1 16 . 1 1 19 19 ALA CA C 19 52.260 52.260 50.993 1.267 25460 6697 1 16 . 1 1 19 19 ALA CB C 19 19.130 19.130 17.689 1.440 25460 6698 1 16 . 1 1 19 19 ALA H H 19 8.262 8.262 8.629 -0.367 25460 6699 1 16 . 1 1 20 20 ALA N N 20 124.430 124.430 123.138 1.292 25460 6700 1 16 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.120 0.416 25460 6701 1 16 . 1 1 20 20 ALA C C 20 175.390 175.390 175.724 -0.334 25460 6702 1 16 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.740 -1.640 25460 6703 1 16 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.531 0.889 25460 6704 1 16 . 1 1 20 20 ALA H H 20 8.083 8.083 7.618 0.465 25460 6705 1 16 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.355 0.095 25460 6706 1 16 . 1 1 21 21 PRO C C 21 175.770 175.770 176.585 -0.815 25460 6707 1 16 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.651 -8.132 25460 6708 1 16 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.165 0.795 25460 6709 1 16 . 1 1 22 22 ALA N N 22 124.420 124.420 122.114 2.306 25460 6710 1 16 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.300 0.033 25460 6711 1 16 . 1 1 22 22 ALA C C 22 176.920 176.920 177.560 -0.640 25460 6712 1 16 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.769 0.581 25460 6713 1 16 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.966 -0.776 25460 6714 1 16 . 1 1 22 22 ALA H H 22 8.235 8.235 7.435 0.800 25460 6715 1 16 . 1 1 23 23 ARG N N 23 120.140 120.140 119.891 0.249 25460 6716 1 16 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.303 0.040 25460 6717 1 16 . 1 1 23 23 ARG C C 23 176.220 176.220 175.215 1.005 25460 6718 1 16 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.943 0.057 25460 6719 1 16 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.982 1.508 25460 6720 1 16 . 1 1 23 23 ARG H H 23 9.271 9.271 8.581 0.690 25460 6721 1 16 . 1 1 24 24 PHE N N 24 119.130 119.130 114.853 4.277 25460 6722 1 16 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.315 0.067 25460 6723 1 16 . 1 1 24 24 PHE C C 24 175.910 175.910 174.497 1.413 25460 6724 1 16 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.726 0.124 25460 6725 1 16 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.551 0.009 25460 6726 1 16 . 1 1 24 24 PHE H H 24 9.270 9.270 8.015 1.255 25460 6727 1 16 . 1 1 25 25 CYS N N 25 116.300 116.300 118.848 -2.548 25460 6728 1 16 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.429 -0.110 25460 6729 1 16 . 1 1 25 25 CYS C C 25 172.990 172.990 174.053 -1.063 25460 6730 1 16 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.695 -3.495 25460 6731 1 16 . 1 1 25 25 CYS CB C 25 39.740 39.740 29.624 10.116 25460 6732 1 16 . 1 1 25 25 CYS H H 25 9.254 9.254 9.349 -0.095 25460 6733 1 16 . 1 1 26 26 VAL N N 26 126.290 126.290 123.238 3.052 25460 6734 1 16 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.332 0.050 25460 6735 1 16 . 1 1 26 26 VAL C C 26 174.520 174.520 174.849 -0.329 25460 6736 1 16 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.071 -0.331 25460 6737 1 16 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.429 -0.049 25460 6738 1 16 . 1 1 26 26 VAL H H 26 9.512 9.512 8.998 0.514 25460 6739 1 16 . 1 1 27 27 TYR N N 27 123.620 123.620 126.537 -2.917 25460 6740 1 16 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.581 -0.437 25460 6741 1 16 . 1 1 27 27 TYR C C 27 175.400 175.400 175.269 0.131 25460 6742 1 16 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.849 1.251 25460 6743 1 16 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.671 0.189 25460 6744 1 16 . 1 1 27 27 TYR H H 27 8.240 8.240 8.906 -0.666 25460 6745 1 16 . 1 1 28 28 TYR N N 28 119.740 119.740 119.653 0.087 25460 6746 1 16 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.386 -0.113 25460 6747 1 16 . 1 1 28 28 TYR C C 28 174.590 174.590 174.773 -0.183 25460 6748 1 16 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.347 0.553 25460 6749 1 16 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.942 1.148 25460 6750 1 16 . 1 1 28 28 TYR H H 28 9.448 9.448 9.275 0.173 25460 6751 1 16 . 1 1 29 29 ASP N N 29 118.650 118.650 123.127 -4.477 25460 6752 1 16 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.037 0.218 25460 6753 1 16 . 1 1 29 29 ASP C C 29 177.670 177.670 175.668 2.002 25460 6754 1 16 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.384 -1.584 25460 6755 1 16 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.721 -0.371 25460 6756 1 16 . 1 1 29 29 ASP H H 29 8.995 8.995 9.081 -0.086 25460 6757 1 16 . 1 1 30 30 GLY N N 30 114.740 114.740 114.961 -0.221 25460 6758 1 16 . 1 1 30 30 GLY C C 30 173.320 173.320 172.201 1.119 25460 6759 1 16 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.241 -1.131 25460 6760 1 16 . 1 1 30 30 GLY H H 30 9.046 9.046 8.934 0.112 25460 6761 1 16 . 1 1 31 31 HIS N N 31 113.880 113.880 116.192 -2.312 25460 6762 1 16 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.728 -0.235 25460 6763 1 16 . 1 1 31 31 HIS C C 31 175.230 175.230 174.391 0.839 25460 6764 1 16 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.657 0.323 25460 6765 1 16 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.090 0.540 25460 6766 1 16 . 1 1 31 31 HIS H H 31 8.306 8.306 8.722 -0.416 25460 6767 1 16 . 1 1 32 32 LEU N N 32 124.060 124.060 122.773 1.287 25460 6768 1 16 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.692 0.132 25460 6769 1 16 . 1 1 32 32 LEU C C 32 176.030 176.030 175.424 0.606 25460 6770 1 16 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.603 1.477 25460 6771 1 16 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.339 -1.799 25460 6772 1 16 . 1 1 32 32 LEU H H 32 8.477 8.477 7.551 0.926 25460 6773 1 16 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.089 -0.336 25460 6774 1 16 . 1 1 33 33 PRO C C 33 177.880 177.880 177.785 0.095 25460 6775 1 16 . 1 1 33 33 PRO CA C 33 65.500 65.500 65.376 0.124 25460 6776 1 16 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.618 0.152 25460 6777 1 16 . 1 1 34 34 ALA N N 34 115.220 115.220 116.370 -1.150 25460 6778 1 16 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.219 -0.026 25460 6779 1 16 . 1 1 34 34 ALA C C 34 179.120 179.120 178.458 0.662 25460 6780 1 16 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.830 0.780 25460 6781 1 16 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.710 0.720 25460 6782 1 16 . 1 1 34 34 ALA H H 34 8.193 8.193 8.021 0.172 25460 6783 1 16 . 1 1 35 35 THR N N 35 102.120 102.120 111.691 -9.571 25460 6784 1 16 . 1 1 35 35 THR HA H 35 4.597 4.597 4.386 0.211 25460 6785 1 16 . 1 1 35 35 THR C C 35 175.610 175.610 174.054 1.556 25460 6786 1 16 . 1 1 35 35 THR CA C 35 60.400 60.400 61.454 -1.054 25460 6787 1 16 . 1 1 35 35 THR CB C 35 70.550 70.550 69.824 0.726 25460 6788 1 16 . 1 1 35 35 THR H H 35 7.187 7.187 7.681 -0.494 25460 6789 1 16 . 1 1 36 36 ARG N N 36 122.520 122.520 121.748 0.772 25460 6790 1 16 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.665 0.098 25460 6791 1 16 . 1 1 36 36 ARG C C 36 175.220 175.220 175.716 -0.496 25460 6792 1 16 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.585 0.505 25460 6793 1 16 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.636 -0.756 25460 6794 1 16 . 1 1 36 36 ARG H H 36 7.918 7.918 7.520 0.398 25460 6795 1 16 . 1 1 37 37 VAL N N 37 122.110 122.110 123.455 -1.345 25460 6796 1 16 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.215 0.126 25460 6797 1 16 . 1 1 37 37 VAL C C 37 175.690 175.690 175.766 -0.076 25460 6798 1 16 . 1 1 37 37 VAL CA C 37 61.330 61.330 61.668 -0.338 25460 6799 1 16 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.181 1.869 25460 6800 1 16 . 1 1 37 37 VAL H H 37 8.603 8.603 8.671 -0.068 25460 6801 1 16 . 1 1 38 38 LEU N N 38 130.470 130.470 128.861 1.609 25460 6802 1 16 . 1 1 38 38 LEU HA H 38 3.769 3.769 3.963 -0.194 25460 6803 1 16 . 1 1 38 38 LEU C C 38 176.510 176.510 175.842 0.668 25460 6804 1 16 . 1 1 38 38 LEU CA C 38 57.370 57.370 55.960 1.410 25460 6805 1 16 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.843 -0.023 25460 6806 1 16 . 1 1 38 38 LEU H H 38 8.708 8.708 8.545 0.163 25460 6807 1 16 . 1 1 39 39 LEU N N 39 126.440 126.440 128.544 -2.104 25460 6808 1 16 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.379 0.248 25460 6809 1 16 . 1 1 39 39 LEU C C 39 176.800 176.800 177.125 -0.325 25460 6810 1 16 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.994 -0.264 25460 6811 1 16 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.082 -0.752 25460 6812 1 16 . 1 1 39 39 LEU H H 39 9.254 9.254 9.002 0.252 25460 6813 1 16 . 1 1 40 40 MET N N 40 114.550 114.550 111.369 3.181 25460 6814 1 16 . 1 1 40 40 MET HA H 40 4.471 4.471 4.618 -0.147 25460 6815 1 16 . 1 1 40 40 MET C C 40 173.750 173.750 173.522 0.228 25460 6816 1 16 . 1 1 40 40 MET CA C 40 56.040 56.040 54.823 1.217 25460 6817 1 16 . 1 1 40 40 MET CB C 40 36.880 36.880 35.186 1.694 25460 6818 1 16 . 1 1 40 40 MET H H 40 7.054 7.054 7.463 -0.409 25460 6819 1 16 . 1 1 41 41 TYR N N 41 123.270 123.270 119.028 4.242 25460 6820 1 16 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.717 -0.904 25460 6821 1 16 . 1 1 41 41 TYR C C 41 175.680 175.680 176.218 -0.538 25460 6822 1 16 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.033 0.907 25460 6823 1 16 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.812 -0.352 25460 6824 1 16 . 1 1 41 41 TYR H H 41 8.563 8.563 8.444 0.119 25460 6825 1 16 . 1 1 42 42 VAL N N 42 123.930 123.930 122.629 1.301 25460 6826 1 16 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.594 -0.185 25460 6827 1 16 . 1 1 42 42 VAL C C 42 175.600 175.600 174.710 0.890 25460 6828 1 16 . 1 1 42 42 VAL CA C 42 61.480 61.480 61.067 0.413 25460 6829 1 16 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.747 -0.437 25460 6830 1 16 . 1 1 42 42 VAL H H 42 9.442 9.442 9.320 0.122 25460 6831 1 16 . 1 1 43 43 ARG N N 43 129.290 129.290 126.814 2.476 25460 6832 1 16 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.421 -0.497 25460 6833 1 16 . 1 1 43 43 ARG C C 43 177.010 177.010 176.682 0.328 25460 6834 1 16 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.597 1.163 25460 6835 1 16 . 1 1 43 43 ARG CB C 43 29.980 29.980 31.283 -1.303 25460 6836 1 16 . 1 1 43 43 ARG H H 43 8.940 8.940 8.864 0.076 25460 6837 1 16 . 1 1 44 44 ILE N N 44 128.260 128.260 125.325 2.935 25460 6838 1 16 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.783 -0.097 25460 6839 1 16 . 1 1 44 44 ILE C C 44 177.020 177.020 176.939 0.081 25460 6840 1 16 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.574 2.356 25460 6841 1 16 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.614 1.626 25460 6842 1 16 . 1 1 44 44 ILE H H 44 8.345 8.345 8.202 0.143 25460 6843 1 16 . 1 1 45 45 GLY N N 45 115.530 115.530 116.077 -0.547 25460 6844 1 16 . 1 1 45 45 GLY C C 45 174.860 174.860 173.582 1.278 25460 6845 1 16 . 1 1 45 45 GLY CA C 45 44.240 44.240 45.060 -0.820 25460 6846 1 16 . 1 1 45 45 GLY H H 45 9.423 9.423 9.096 0.327 25460 6847 1 16 . 1 1 46 46 THR N N 46 111.410 111.410 112.660 -1.250 25460 6848 1 16 . 1 1 46 46 THR HA H 46 4.974 4.974 4.767 0.207 25460 6849 1 16 . 1 1 46 46 THR C C 46 172.310 172.310 173.563 -1.253 25460 6850 1 16 . 1 1 46 46 THR CA C 46 60.280 60.280 59.653 0.627 25460 6851 1 16 . 1 1 46 46 THR CB C 46 72.160 72.160 71.227 0.933 25460 6852 1 16 . 1 1 46 46 THR H H 46 7.925 7.925 7.860 0.065 25460 6853 1 16 . 1 1 47 47 THR N N 47 109.430 109.430 112.938 -3.508 25460 6854 1 16 . 1 1 47 47 THR HA H 47 5.383 5.383 5.228 0.155 25460 6855 1 16 . 1 1 47 47 THR C C 47 174.560 174.560 174.044 0.516 25460 6856 1 16 . 1 1 47 47 THR CA C 47 59.240 59.240 60.419 -1.179 25460 6857 1 16 . 1 1 47 47 THR CB C 47 71.840 71.840 70.471 1.369 25460 6858 1 16 . 1 1 47 47 THR H H 47 7.784 7.784 8.377 -0.593 25460 6859 1 16 . 1 1 48 48 ALA N N 48 122.630 122.630 124.147 -1.517 25460 6860 1 16 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.634 0.024 25460 6861 1 16 . 1 1 48 48 ALA C C 48 175.620 175.620 175.250 0.370 25460 6862 1 16 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.757 -0.157 25460 6863 1 16 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.207 2.203 25460 6864 1 16 . 1 1 48 48 ALA H H 48 8.681 8.681 9.017 -0.336 25460 6865 1 16 . 1 1 49 49 THR N N 49 116.020 116.020 117.550 -1.530 25460 6866 1 16 . 1 1 49 49 THR HA H 49 4.914 4.914 4.945 -0.031 25460 6867 1 16 . 1 1 49 49 THR C C 49 174.400 174.400 174.069 0.331 25460 6868 1 16 . 1 1 49 49 THR CA C 49 62.320 62.320 62.254 0.066 25460 6869 1 16 . 1 1 49 49 THR CB C 49 69.260 69.260 68.967 0.293 25460 6870 1 16 . 1 1 49 49 THR H H 49 8.347 8.347 8.348 -0.001 25460 6871 1 16 . 1 1 50 50 ILE N N 50 126.050 126.050 128.929 -2.879 25460 6872 1 16 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.213 0.223 25460 6873 1 16 . 1 1 50 50 ILE C C 50 175.080 175.080 175.452 -0.372 25460 6874 1 16 . 1 1 50 50 ILE CA C 50 59.510 59.510 59.246 0.264 25460 6875 1 16 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.070 1.600 25460 6876 1 16 . 1 1 50 50 ILE H H 50 9.199 9.199 8.991 0.208 25460 6877 1 16 . 1 1 51 51 THR N N 51 120.630 120.630 122.353 -1.723 25460 6878 1 16 . 1 1 51 51 THR HA H 51 5.312 5.312 5.297 0.015 25460 6879 1 16 . 1 1 51 51 THR C C 51 174.250 174.250 173.263 0.987 25460 6880 1 16 . 1 1 51 51 THR CA C 51 61.030 61.030 61.269 -0.239 25460 6881 1 16 . 1 1 51 51 THR CB C 51 69.850 69.850 70.270 -0.420 25460 6882 1 16 . 1 1 51 51 THR H H 51 8.500 8.500 8.526 -0.026 25460 6883 1 16 . 1 1 52 52 ALA N N 52 127.710 127.710 127.396 0.314 25460 6884 1 16 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.934 -0.223 25460 6885 1 16 . 1 1 52 52 ALA C C 52 176.530 176.530 176.845 -0.315 25460 6886 1 16 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.143 0.837 25460 6887 1 16 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.634 1.086 25460 6888 1 16 . 1 1 52 52 ALA H H 52 9.202 9.202 8.888 0.314 25460 6889 1 16 . 1 1 53 53 ARG N N 53 118.780 118.780 122.353 -3.573 25460 6890 1 16 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.963 -0.107 25460 6891 1 16 . 1 1 53 53 ARG C C 53 177.070 177.070 175.911 1.159 25460 6892 1 16 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.614 0.416 25460 6893 1 16 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.816 -0.776 25460 6894 1 16 . 1 1 53 53 ARG H H 53 9.303 9.303 9.210 0.093 25460 6895 1 16 . 1 1 54 54 GLY N N 54 104.070 104.070 103.096 0.974 25460 6896 1 16 . 1 1 54 54 GLY C C 54 174.110 174.110 173.963 0.147 25460 6897 1 16 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.114 0.246 25460 6898 1 16 . 1 1 54 54 GLY H H 54 8.714 8.714 8.441 0.273 25460 6899 1 16 . 1 1 55 55 HIS N N 55 119.170 119.170 121.032 -1.862 25460 6900 1 16 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.413 0.363 25460 6901 1 16 . 1 1 55 55 HIS C C 55 172.310 172.310 173.614 -1.304 25460 6902 1 16 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.308 -1.278 25460 6903 1 16 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.226 1.874 25460 6904 1 16 . 1 1 55 55 HIS H H 55 8.227 8.227 8.339 -0.112 25460 6905 1 16 . 1 1 56 56 GLU N N 56 119.640 119.640 124.321 -4.681 25460 6906 1 16 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.019 0.068 25460 6907 1 16 . 1 1 56 56 GLU C C 56 176.150 176.150 175.473 0.677 25460 6908 1 16 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.002 0.089 25460 6909 1 16 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.765 1.014 25460 6910 1 16 . 1 1 56 56 GLU H H 56 8.024 8.024 8.572 -0.548 25460 6911 1 16 . 1 1 57 57 PHE N N 57 121.660 121.660 125.274 -3.614 25460 6912 1 16 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.711 0.063 25460 6913 1 16 . 1 1 57 57 PHE C C 57 173.930 173.930 174.740 -0.810 25460 6914 1 16 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.364 0.107 25460 6915 1 16 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.935 0.515 25460 6916 1 16 . 1 1 57 57 PHE H H 57 9.219 9.219 9.132 0.087 25460 6917 1 16 . 1 1 58 58 GLU N N 58 125.630 125.630 126.154 -0.524 25460 6918 1 16 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.670 0.554 25460 6919 1 16 . 1 1 58 58 GLU C C 58 175.820 175.820 175.544 0.276 25460 6920 1 16 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.829 -0.369 25460 6921 1 16 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.913 0.037 25460 6922 1 16 . 1 1 58 58 GLU H H 58 8.597 8.597 9.036 -0.439 25460 6923 1 16 . 1 1 59 59 VAL N N 59 120.690 120.690 121.462 -0.772 25460 6924 1 16 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.801 0.615 25460 6925 1 16 . 1 1 59 59 VAL C C 59 174.790 174.790 173.620 1.170 25460 6926 1 16 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.200 -0.650 25460 6927 1 16 . 1 1 59 59 VAL CB C 59 34.150 34.150 36.136 -1.986 25460 6928 1 16 . 1 1 59 59 VAL H H 59 8.809 8.809 8.856 -0.047 25460 6929 1 16 . 1 1 60 60 GLU N N 60 118.570 118.570 121.247 -2.677 25460 6930 1 16 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.941 -0.324 25460 6931 1 16 . 1 1 60 60 GLU C C 60 176.050 176.050 175.647 0.403 25460 6932 1 16 . 1 1 60 60 GLU CA C 60 54.180 54.180 53.471 0.709 25460 6933 1 16 . 1 1 60 60 GLU CB C 60 32.050 32.050 33.395 -1.345 25460 6934 1 16 . 1 1 60 60 GLU H H 60 8.024 8.024 8.698 -0.674 25460 6935 1 16 . 1 1 61 61 ALA N N 61 132.630 132.630 131.695 0.935 25460 6936 1 16 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.610 0.089 25460 6937 1 16 . 1 1 61 61 ALA C C 61 176.260 176.260 177.389 -1.129 25460 6938 1 16 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.927 -1.407 25460 6939 1 16 . 1 1 61 61 ALA CB C 61 17.710 17.710 19.187 -1.477 25460 6940 1 16 . 1 1 61 61 ALA H H 61 8.230 8.230 8.879 -0.649 25460 6941 1 16 . 1 1 62 62 LYS N N 62 126.080 126.080 124.696 1.384 25460 6942 1 16 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.258 -0.260 25460 6943 1 16 . 1 1 62 62 LYS C C 62 177.030 177.030 176.364 0.666 25460 6944 1 16 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.890 1.700 25460 6945 1 16 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.092 1.448 25460 6946 1 16 . 1 1 62 62 LYS H H 62 9.070 9.070 8.262 0.807 25460 6947 1 16 . 1 1 63 63 ASP N N 63 110.550 110.550 113.546 -2.996 25460 6948 1 16 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.672 -0.286 25460 6949 1 16 . 1 1 63 63 ASP C C 63 175.810 175.810 175.383 0.427 25460 6950 1 16 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.937 0.213 25460 6951 1 16 . 1 1 63 63 ASP CB C 63 41.250 41.250 42.665 -1.415 25460 6952 1 16 . 1 1 63 63 ASP H H 63 7.507 7.507 7.738 -0.231 25460 6953 1 16 . 1 1 64 64 GLN N N 64 112.740 112.740 115.694 -2.954 25460 6954 1 16 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.190 -0.090 25460 6955 1 16 . 1 1 64 64 GLN C C 64 175.950 175.950 175.981 -0.031 25460 6956 1 16 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.478 0.212 25460 6957 1 16 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.436 -0.596 25460 6958 1 16 . 1 1 64 64 GLN H H 64 8.410 8.410 8.451 -0.041 25460 6959 1 16 . 1 1 65 65 ASN N N 65 117.790 117.790 115.885 1.905 25460 6960 1 16 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.771 -0.192 25460 6961 1 16 . 1 1 65 65 ASN C C 65 177.250 177.250 174.715 2.535 25460 6962 1 16 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.980 1.140 25460 6963 1 16 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.785 -1.875 25460 6964 1 16 . 1 1 65 65 ASN H H 65 8.747 8.747 8.585 0.162 25460 6965 1 16 . 1 1 66 66 CYS N N 66 112.640 112.640 116.786 -4.146 25460 6966 1 16 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.182 0.243 25460 6967 1 16 . 1 1 66 66 CYS C C 66 174.970 174.970 174.028 0.942 25460 6968 1 16 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.100 -3.970 25460 6969 1 16 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.511 11.649 25460 6970 1 16 . 1 1 66 66 CYS H H 66 8.527 8.527 7.829 0.698 25460 6971 1 16 . 1 1 67 67 LYS N N 67 116.240 116.240 121.313 -5.073 25460 6972 1 16 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.180 -0.003 25460 6973 1 16 . 1 1 67 67 LYS C C 67 178.480 178.480 176.419 2.061 25460 6974 1 16 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.388 1.472 25460 6975 1 16 . 1 1 67 67 LYS CB C 67 32.120 32.120 32.405 -0.285 25460 6976 1 16 . 1 1 67 67 LYS H H 67 8.014 8.014 8.913 -0.899 25460 6977 1 16 . 1 1 68 68 VAL N N 68 126.980 126.980 128.211 -1.231 25460 6978 1 16 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.114 -0.439 25460 6979 1 16 . 1 1 68 68 VAL C C 68 174.460 174.460 174.259 0.201 25460 6980 1 16 . 1 1 68 68 VAL CA C 68 64.750 64.750 62.119 2.631 25460 6981 1 16 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.030 -1.870 25460 6982 1 16 . 1 1 68 68 VAL H H 68 8.967 8.967 8.482 0.485 25460 6983 1 16 . 1 1 69 69 ILE N N 69 132.540 132.540 128.243 4.297 25460 6984 1 16 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.645 -0.466 25460 6985 1 16 . 1 1 69 69 ILE C C 69 175.060 175.060 175.346 -0.286 25460 6986 1 16 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.459 1.101 25460 6987 1 16 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.745 0.745 25460 6988 1 16 . 1 1 69 69 ILE H H 69 8.689 8.689 7.835 0.854 25460 6989 1 16 . 1 1 70 70 LEU N N 70 125.290 125.290 127.121 -1.831 25460 6990 1 16 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.621 0.677 25460 6991 1 16 . 1 1 70 70 LEU C C 70 180.800 180.800 179.338 1.462 25460 6992 1 16 . 1 1 70 70 LEU CA C 70 53.190 53.190 55.709 -2.519 25460 6993 1 16 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.622 -1.472 25460 6994 1 16 . 1 1 70 70 LEU H H 70 8.829 8.829 9.216 -0.387 25460 6995 1 16 . 1 1 71 71 THR N N 71 115.510 115.510 114.568 0.942 25460 6996 1 16 . 1 1 71 71 THR HA H 71 4.094 4.094 4.125 -0.031 25460 6997 1 16 . 1 1 71 71 THR C C 71 176.240 176.240 175.765 0.475 25460 6998 1 16 . 1 1 71 71 THR CA C 71 63.950 63.950 65.320 -1.370 25460 6999 1 16 . 1 1 71 71 THR CB C 71 68.280 68.280 68.457 -0.177 25460 7000 1 16 . 1 1 71 71 THR H H 71 8.546 8.546 8.795 -0.249 25460 7001 1 16 . 1 1 72 72 ASN N N 72 117.010 117.010 118.633 -1.623 25460 7002 1 16 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.748 -0.184 25460 7003 1 16 . 1 1 72 72 ASN C C 72 177.340 177.340 175.810 1.530 25460 7004 1 16 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.475 -0.765 25460 7005 1 16 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.688 -1.468 25460 7006 1 16 . 1 1 72 72 ASN H H 72 8.162 8.162 8.190 -0.028 25460 7007 1 16 . 1 1 73 73 GLY N N 73 106.660 106.660 107.434 -0.774 25460 7008 1 16 . 1 1 73 73 GLY C C 73 175.020 175.020 173.520 1.500 25460 7009 1 16 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.648 0.052 25460 7010 1 16 . 1 1 73 73 GLY H H 73 7.985 7.985 7.923 0.062 25460 7011 1 16 . 1 1 74 74 LYS N N 74 120.730 120.730 118.968 1.762 25460 7012 1 16 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.613 -0.315 25460 7013 1 16 . 1 1 74 74 LYS C C 74 175.720 175.720 175.737 -0.017 25460 7014 1 16 . 1 1 74 74 LYS CA C 74 55.730 55.730 53.994 1.736 25460 7015 1 16 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.923 -1.433 25460 7016 1 16 . 1 1 74 74 LYS H H 74 7.820 7.820 7.937 -0.117 25460 7017 1 16 . 1 1 75 75 GLN N N 75 119.590 119.590 120.800 -1.210 25460 7018 1 16 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.456 -0.300 25460 7019 1 16 . 1 1 75 75 GLN C C 75 176.490 176.490 175.914 0.576 25460 7020 1 16 . 1 1 75 75 GLN CA C 75 55.580 55.580 56.356 -0.776 25460 7021 1 16 . 1 1 75 75 GLN CB C 75 29.020 29.020 29.452 -0.432 25460 7022 1 16 . 1 1 75 75 GLN H H 75 8.273 8.273 8.633 -0.360 25460 7023 1 16 . 1 1 76 76 ALA N N 76 129.340 129.340 128.446 0.894 25460 7024 1 16 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.451 -0.285 25460 7025 1 16 . 1 1 76 76 ALA C C 76 174.920 174.920 175.129 -0.209 25460 7026 1 16 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.101 -0.021 25460 7027 1 16 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.991 -0.111 25460 7028 1 16 . 1 1 76 76 ALA H H 76 8.698 8.698 8.223 0.475 25460 7029 1 16 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.065 0.172 25460 7030 1 16 . 1 1 77 77 PRO C C 77 178.170 178.170 176.688 1.482 25460 7031 1 16 . 1 1 77 77 PRO CA C 77 62.170 62.170 62.606 -0.436 25460 7032 1 16 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.441 0.029 25460 7033 1 16 . 1 1 78 78 ASP N N 78 121.040 121.040 119.532 1.508 25460 7034 1 16 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.326 -0.109 25460 7035 1 16 . 1 1 78 78 ASP C C 78 176.610 176.610 176.511 0.099 25460 7036 1 16 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.142 0.358 25460 7037 1 16 . 1 1 78 78 ASP CB C 78 40.530 40.530 41.039 -0.510 25460 7038 1 16 . 1 1 78 78 ASP H H 78 8.607 8.607 8.478 0.129 25460 7039 1 16 . 1 1 79 79 TRP N N 79 114.440 114.440 113.486 0.954 25460 7040 1 16 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.628 -0.136 25460 7041 1 16 . 1 1 79 79 TRP C C 79 175.280 175.280 175.086 0.194 25460 7042 1 16 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.332 -0.702 25460 7043 1 16 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.168 -0.028 25460 7044 1 16 . 1 1 79 79 TRP H H 79 6.768 6.768 7.276 -0.508 25460 7045 1 16 . 1 1 80 80 LEU N N 80 123.450 123.450 124.579 -1.129 25460 7046 1 16 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.763 -0.002 25460 7047 1 16 . 1 1 80 80 LEU C C 80 174.270 174.270 175.477 -1.207 25460 7048 1 16 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.670 1.180 25460 7049 1 16 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.418 0.472 25460 7050 1 16 . 1 1 80 80 LEU H H 80 6.577 6.577 6.859 -0.282 25460 7051 1 16 . 1 1 81 81 ALA N N 81 130.910 130.910 130.192 0.718 25460 7052 1 16 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.688 -0.021 25460 7053 1 16 . 1 1 81 81 ALA C C 81 175.210 175.210 175.427 -0.217 25460 7054 1 16 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.753 -0.443 25460 7055 1 16 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.047 1.223 25460 7056 1 16 . 1 1 81 81 ALA H H 81 9.037 9.037 8.962 0.075 25460 7057 1 16 . 1 1 82 82 ALA N N 82 119.120 119.120 125.154 -6.034 25460 7058 1 16 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.134 0.543 25460 7059 1 16 . 1 1 82 82 ALA C C 82 177.280 177.280 176.641 0.639 25460 7060 1 16 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.868 0.142 25460 7061 1 16 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.447 0.793 25460 7062 1 16 . 1 1 82 82 ALA H H 82 8.159 8.159 8.400 -0.241 25460 7063 1 16 . 1 1 83 83 GLU N N 83 116.910 116.910 123.106 -6.196 25460 7064 1 16 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.884 0.054 25460 7065 1 16 . 1 1 83 83 GLU C C 83 172.560 172.560 174.385 -1.825 25460 7066 1 16 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.752 0.258 25460 7067 1 16 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.182 1.288 25460 7068 1 16 . 1 1 83 83 GLU H H 83 8.614 8.614 8.675 -0.061 25460 7069 1 16 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.713 0.800 25460 7070 1 16 . 1 1 84 84 PRO C C 84 177.340 177.340 175.951 1.389 25460 7071 1 16 . 1 1 84 84 PRO CA C 84 62.930 62.930 62.985 -0.055 25460 7072 1 16 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.772 0.648 25460 7073 1 17 . 1 1 8 8 GLY N N 8 110.720 110.720 112.314 -1.594 25460 7074 1 17 . 1 1 8 8 GLY C C 8 174.650 174.650 173.367 1.283 25460 7075 1 17 . 1 1 8 8 GLY CA C 8 45.470 45.470 45.437 0.033 25460 7076 1 17 . 1 1 8 8 GLY H H 8 8.462 8.462 8.223 0.239 25460 7077 1 17 . 1 1 9 9 ARG N N 9 120.430 120.430 121.383 -0.953 25460 7078 1 17 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.607 -0.289 25460 7079 1 17 . 1 1 9 9 ARG C C 9 176.790 176.790 175.562 1.228 25460 7080 1 17 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.328 1.012 25460 7081 1 17 . 1 1 9 9 ARG CB C 9 30.530 30.530 29.869 0.662 25460 7082 1 17 . 1 1 9 9 ARG H H 9 8.206 8.206 8.080 0.126 25460 7083 1 17 . 1 1 10 10 GLU N N 10 121.220 121.220 125.595 -4.375 25460 7084 1 17 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.495 -0.285 25460 7085 1 17 . 1 1 10 10 GLU C C 10 176.600 176.600 175.122 1.478 25460 7086 1 17 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.336 0.934 25460 7087 1 17 . 1 1 10 10 GLU CB C 10 29.780 29.780 29.788 -0.008 25460 7088 1 17 . 1 1 10 10 GLU H H 10 8.562 8.562 8.958 -0.396 25460 7089 1 17 . 1 1 11 11 ASN N N 11 118.900 118.900 119.776 -0.876 25460 7090 1 17 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.680 -0.010 25460 7091 1 17 . 1 1 11 11 ASN C C 11 175.420 175.420 173.796 1.624 25460 7092 1 17 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.990 0.460 25460 7093 1 17 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.992 -0.282 25460 7094 1 17 . 1 1 11 11 ASN H H 11 8.337 8.337 8.291 0.046 25460 7095 1 17 . 1 1 12 12 LEU N N 12 121.830 121.830 124.663 -2.833 25460 7096 1 17 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.131 0.061 25460 7097 1 17 . 1 1 12 12 LEU C C 12 177.290 177.290 175.644 1.646 25460 7098 1 17 . 1 1 12 12 LEU CA C 12 55.630 55.630 53.513 2.117 25460 7099 1 17 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.587 0.673 25460 7100 1 17 . 1 1 12 12 LEU H H 12 7.988 7.988 8.240 -0.252 25460 7101 1 17 . 1 1 13 13 TYR N N 13 119.550 119.550 125.352 -5.802 25460 7102 1 17 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.035 0.463 25460 7103 1 17 . 1 1 13 13 TYR C C 13 175.950 175.950 175.704 0.246 25460 7104 1 17 . 1 1 13 13 TYR CA C 13 57.930 57.930 58.474 -0.544 25460 7105 1 17 . 1 1 13 13 TYR CB C 13 38.590 38.590 39.119 -0.529 25460 7106 1 17 . 1 1 13 13 TYR H H 13 7.966 7.966 8.175 -0.209 25460 7107 1 17 . 1 1 14 14 PHE N N 14 121.130 121.130 127.753 -6.623 25460 7108 1 17 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.373 0.151 25460 7109 1 17 . 1 1 14 14 PHE C C 14 175.820 175.820 175.272 0.548 25460 7110 1 17 . 1 1 14 14 PHE CA C 14 57.950 57.950 58.729 -0.779 25460 7111 1 17 . 1 1 14 14 PHE CB C 14 39.510 39.510 38.107 1.403 25460 7112 1 17 . 1 1 14 14 PHE H H 14 8.006 8.006 8.281 -0.275 25460 7113 1 17 . 1 1 15 15 GLN N N 15 121.840 121.840 122.895 -1.055 25460 7114 1 17 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.316 -0.131 25460 7115 1 17 . 1 1 15 15 GLN C C 15 176.420 176.420 175.249 1.171 25460 7116 1 17 . 1 1 15 15 GLN CA C 15 56.180 56.180 56.017 0.162 25460 7117 1 17 . 1 1 15 15 GLN CB C 15 29.110 29.110 30.003 -0.893 25460 7118 1 17 . 1 1 15 15 GLN H H 15 8.217 8.217 8.496 -0.279 25460 7119 1 17 . 1 1 16 16 GLY N N 16 108.430 108.430 107.871 0.559 25460 7120 1 17 . 1 1 16 16 GLY C C 16 174.140 174.140 173.372 0.768 25460 7121 1 17 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.398 -0.088 25460 7122 1 17 . 1 1 16 16 GLY H H 16 7.907 7.907 7.398 0.509 25460 7123 1 17 . 1 1 17 17 HIS N N 17 117.990 117.990 117.839 0.151 25460 7124 1 17 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.565 -0.688 25460 7125 1 17 . 1 1 17 17 HIS C C 17 174.610 174.610 174.893 -0.283 25460 7126 1 17 . 1 1 17 17 HIS CA C 17 55.430 55.430 57.672 -2.241 25460 7127 1 17 . 1 1 17 17 HIS CB C 17 29.280 29.280 30.329 -1.049 25460 7128 1 17 . 1 1 17 17 HIS H H 17 8.250 8.250 8.727 -0.477 25460 7129 1 17 . 1 1 18 18 MET N N 18 121.430 121.430 118.313 3.117 25460 7130 1 17 . 1 1 18 18 MET HA H 18 4.395 4.395 4.488 -0.093 25460 7131 1 17 . 1 1 18 18 MET C C 18 175.750 175.750 175.161 0.589 25460 7132 1 17 . 1 1 18 18 MET CA C 18 55.660 55.660 54.357 1.303 25460 7133 1 17 . 1 1 18 18 MET CB C 18 32.740 32.740 34.138 -1.398 25460 7134 1 17 . 1 1 18 18 MET H H 18 8.320 8.320 7.562 0.757 25460 7135 1 17 . 1 1 19 19 ALA N N 19 125.550 125.550 126.281 -0.731 25460 7136 1 17 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.291 -0.019 25460 7137 1 17 . 1 1 19 19 ALA C C 19 176.950 176.950 176.741 0.209 25460 7138 1 17 . 1 1 19 19 ALA CA C 19 52.260 52.260 52.297 -0.037 25460 7139 1 17 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.335 0.795 25460 7140 1 17 . 1 1 19 19 ALA H H 19 8.262 8.262 8.396 -0.134 25460 7141 1 17 . 1 1 20 20 ALA N N 20 124.430 124.430 119.238 5.192 25460 7142 1 17 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.461 0.075 25460 7143 1 17 . 1 1 20 20 ALA C C 20 175.390 175.390 175.783 -0.393 25460 7144 1 17 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.995 -1.895 25460 7145 1 17 . 1 1 20 20 ALA CB C 20 18.420 18.420 16.876 1.544 25460 7146 1 17 . 1 1 20 20 ALA H H 20 8.083 8.083 7.779 0.304 25460 7147 1 17 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.326 0.124 25460 7148 1 17 . 1 1 21 21 PRO C C 21 175.770 175.770 175.698 0.072 25460 7149 1 17 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.524 -8.004 25460 7150 1 17 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.352 0.608 25460 7151 1 17 . 1 1 22 22 ALA N N 22 124.420 124.420 121.582 2.838 25460 7152 1 17 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.605 -0.272 25460 7153 1 17 . 1 1 22 22 ALA C C 22 176.920 176.920 176.156 0.764 25460 7154 1 17 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.012 1.338 25460 7155 1 17 . 1 1 22 22 ALA CB C 22 19.190 19.190 21.046 -1.856 25460 7156 1 17 . 1 1 22 22 ALA H H 22 8.235 8.235 7.382 0.853 25460 7157 1 17 . 1 1 23 23 ARG N N 23 120.140 120.140 121.389 -1.249 25460 7158 1 17 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.584 -0.241 25460 7159 1 17 . 1 1 23 23 ARG C C 23 176.220 176.220 175.528 0.692 25460 7160 1 17 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.173 0.827 25460 7161 1 17 . 1 1 23 23 ARG CB C 23 33.490 33.490 33.722 -0.232 25460 7162 1 17 . 1 1 23 23 ARG H H 23 9.271 9.271 9.107 0.164 25460 7163 1 17 . 1 1 24 24 PHE N N 24 119.130 119.130 116.422 2.708 25460 7164 1 17 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.256 0.126 25460 7165 1 17 . 1 1 24 24 PHE C C 24 175.910 175.910 174.163 1.747 25460 7166 1 17 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.543 0.307 25460 7167 1 17 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.879 -0.319 25460 7168 1 17 . 1 1 24 24 PHE H H 24 9.270 9.270 7.949 1.321 25460 7169 1 17 . 1 1 25 25 CYS N N 25 116.300 116.300 119.341 -3.041 25460 7170 1 17 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.504 -0.185 25460 7171 1 17 . 1 1 25 25 CYS C C 25 172.990 172.990 174.345 -1.355 25460 7172 1 17 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.806 -3.606 25460 7173 1 17 . 1 1 25 25 CYS CB C 25 39.740 39.740 29.000 10.740 25460 7174 1 17 . 1 1 25 25 CYS H H 25 9.254 9.254 9.364 -0.110 25460 7175 1 17 . 1 1 26 26 VAL N N 26 126.290 126.290 123.908 2.382 25460 7176 1 17 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.331 0.051 25460 7177 1 17 . 1 1 26 26 VAL C C 26 174.520 174.520 174.814 -0.294 25460 7178 1 17 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.143 -0.403 25460 7179 1 17 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.323 0.057 25460 7180 1 17 . 1 1 26 26 VAL H H 26 9.512 9.512 9.070 0.442 25460 7181 1 17 . 1 1 27 27 TYR N N 27 123.620 123.620 126.006 -2.386 25460 7182 1 17 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.598 -0.454 25460 7183 1 17 . 1 1 27 27 TYR C C 27 175.400 175.400 175.283 0.117 25460 7184 1 17 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.559 1.541 25460 7185 1 17 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.531 0.329 25460 7186 1 17 . 1 1 27 27 TYR H H 27 8.240 8.240 8.934 -0.694 25460 7187 1 17 . 1 1 28 28 TYR N N 28 119.740 119.740 119.727 0.013 25460 7188 1 17 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.214 0.059 25460 7189 1 17 . 1 1 28 28 TYR C C 28 174.590 174.590 174.732 -0.142 25460 7190 1 17 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.122 0.778 25460 7191 1 17 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.730 1.360 25460 7192 1 17 . 1 1 28 28 TYR H H 28 9.448 9.448 9.220 0.228 25460 7193 1 17 . 1 1 29 29 ASP N N 29 118.650 118.650 122.325 -3.675 25460 7194 1 17 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.120 0.135 25460 7195 1 17 . 1 1 29 29 ASP C C 29 177.670 177.670 175.791 1.879 25460 7196 1 17 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.018 -1.218 25460 7197 1 17 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.681 -0.331 25460 7198 1 17 . 1 1 29 29 ASP H H 29 8.995 8.995 9.177 -0.182 25460 7199 1 17 . 1 1 30 30 GLY N N 30 114.740 114.740 115.877 -1.137 25460 7200 1 17 . 1 1 30 30 GLY C C 30 173.320 173.320 172.815 0.505 25460 7201 1 17 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.341 -1.231 25460 7202 1 17 . 1 1 30 30 GLY H H 30 9.046 9.046 8.839 0.207 25460 7203 1 17 . 1 1 31 31 HIS N N 31 113.880 113.880 115.570 -1.690 25460 7204 1 17 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.492 0.001 25460 7205 1 17 . 1 1 31 31 HIS C C 31 175.230 175.230 174.835 0.395 25460 7206 1 17 . 1 1 31 31 HIS CA C 31 55.980 55.980 56.365 -0.385 25460 7207 1 17 . 1 1 31 31 HIS CB C 31 30.630 30.630 29.983 0.647 25460 7208 1 17 . 1 1 31 31 HIS H H 31 8.306 8.306 8.372 -0.066 25460 7209 1 17 . 1 1 32 32 LEU N N 32 124.060 124.060 122.250 1.810 25460 7210 1 17 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.606 0.218 25460 7211 1 17 . 1 1 32 32 LEU C C 32 176.030 176.030 176.102 -0.072 25460 7212 1 17 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.563 1.517 25460 7213 1 17 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.372 -1.832 25460 7214 1 17 . 1 1 32 32 LEU H H 32 8.477 8.477 7.234 1.243 25460 7215 1 17 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.212 -0.459 25460 7216 1 17 . 1 1 33 33 PRO C C 33 177.880 177.880 176.777 1.103 25460 7217 1 17 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.702 0.798 25460 7218 1 17 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.795 -0.025 25460 7219 1 17 . 1 1 34 34 ALA N N 34 115.220 115.220 118.190 -2.970 25460 7220 1 17 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.367 -0.174 25460 7221 1 17 . 1 1 34 34 ALA C C 34 179.120 179.120 177.529 1.591 25460 7222 1 17 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.148 1.462 25460 7223 1 17 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.409 0.021 25460 7224 1 17 . 1 1 34 34 ALA H H 34 8.193 8.193 7.948 0.245 25460 7225 1 17 . 1 1 35 35 THR N N 35 102.120 102.120 112.832 -10.712 25460 7226 1 17 . 1 1 35 35 THR HA H 35 4.597 4.597 4.407 0.190 25460 7227 1 17 . 1 1 35 35 THR C C 35 175.610 175.610 173.399 2.211 25460 7228 1 17 . 1 1 35 35 THR CA C 35 60.400 60.400 61.521 -1.121 25460 7229 1 17 . 1 1 35 35 THR CB C 35 70.550 70.550 69.871 0.679 25460 7230 1 17 . 1 1 35 35 THR H H 35 7.187 7.187 7.777 -0.590 25460 7231 1 17 . 1 1 36 36 ARG N N 36 122.520 122.520 123.191 -0.671 25460 7232 1 17 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.661 0.102 25460 7233 1 17 . 1 1 36 36 ARG C C 36 175.220 175.220 175.220 0.000 25460 7234 1 17 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.072 2.018 25460 7235 1 17 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.016 -0.136 25460 7236 1 17 . 1 1 36 36 ARG H H 36 7.918 7.918 7.505 0.413 25460 7237 1 17 . 1 1 37 37 VAL N N 37 122.110 122.110 125.612 -3.502 25460 7238 1 17 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.204 0.137 25460 7239 1 17 . 1 1 37 37 VAL C C 37 175.690 175.690 175.430 0.260 25460 7240 1 17 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.903 0.427 25460 7241 1 17 . 1 1 37 37 VAL CB C 37 35.050 35.050 32.623 2.427 25460 7242 1 17 . 1 1 37 37 VAL H H 37 8.603 8.603 8.846 -0.243 25460 7243 1 17 . 1 1 38 38 LEU N N 38 130.470 130.470 129.970 0.500 25460 7244 1 17 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.112 -0.343 25460 7245 1 17 . 1 1 38 38 LEU C C 38 176.510 176.510 175.948 0.562 25460 7246 1 17 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.465 0.905 25460 7247 1 17 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.484 0.335 25460 7248 1 17 . 1 1 38 38 LEU H H 38 8.708 8.708 8.798 -0.090 25460 7249 1 17 . 1 1 39 39 LEU N N 39 126.440 126.440 128.651 -2.211 25460 7250 1 17 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.561 0.066 25460 7251 1 17 . 1 1 39 39 LEU C C 39 176.800 176.800 176.804 -0.004 25460 7252 1 17 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.039 -0.309 25460 7253 1 17 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.215 -0.885 25460 7254 1 17 . 1 1 39 39 LEU H H 39 9.254 9.254 9.054 0.200 25460 7255 1 17 . 1 1 40 40 MET N N 40 114.550 114.550 111.451 3.099 25460 7256 1 17 . 1 1 40 40 MET HA H 40 4.471 4.471 4.597 -0.126 25460 7257 1 17 . 1 1 40 40 MET C C 40 173.750 173.750 173.463 0.287 25460 7258 1 17 . 1 1 40 40 MET CA C 40 56.040 56.040 54.766 1.274 25460 7259 1 17 . 1 1 40 40 MET CB C 40 36.880 36.880 35.333 1.547 25460 7260 1 17 . 1 1 40 40 MET H H 40 7.054 7.054 7.519 -0.465 25460 7261 1 17 . 1 1 41 41 TYR N N 41 123.270 123.270 118.834 4.436 25460 7262 1 17 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.401 -0.588 25460 7263 1 17 . 1 1 41 41 TYR C C 41 175.680 175.680 176.035 -0.355 25460 7264 1 17 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.016 0.924 25460 7265 1 17 . 1 1 41 41 TYR CB C 41 39.460 39.460 40.249 -0.789 25460 7266 1 17 . 1 1 41 41 TYR H H 41 8.563 8.563 8.399 0.164 25460 7267 1 17 . 1 1 42 42 VAL N N 42 123.930 123.930 122.254 1.676 25460 7268 1 17 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.531 -0.122 25460 7269 1 17 . 1 1 42 42 VAL C C 42 175.600 175.600 175.277 0.323 25460 7270 1 17 . 1 1 42 42 VAL CA C 42 61.480 61.480 61.069 0.411 25460 7271 1 17 . 1 1 42 42 VAL CB C 42 35.310 35.310 34.324 0.986 25460 7272 1 17 . 1 1 42 42 VAL H H 42 9.442 9.442 9.388 0.054 25460 7273 1 17 . 1 1 43 43 ARG N N 43 129.290 129.290 128.460 0.830 25460 7274 1 17 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.315 -0.391 25460 7275 1 17 . 1 1 43 43 ARG C C 43 177.010 177.010 176.539 0.471 25460 7276 1 17 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.923 0.837 25460 7277 1 17 . 1 1 43 43 ARG CB C 43 29.980 29.980 31.085 -1.105 25460 7278 1 17 . 1 1 43 43 ARG H H 43 8.940 8.940 8.895 0.045 25460 7279 1 17 . 1 1 44 44 ILE N N 44 128.260 128.260 125.907 2.353 25460 7280 1 17 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.833 -0.147 25460 7281 1 17 . 1 1 44 44 ILE C C 44 177.020 177.020 177.494 -0.474 25460 7282 1 17 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.124 2.806 25460 7283 1 17 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.407 1.833 25460 7284 1 17 . 1 1 44 44 ILE H H 44 8.345 8.345 8.374 -0.029 25460 7285 1 17 . 1 1 45 45 GLY N N 45 115.530 115.530 116.779 -1.249 25460 7286 1 17 . 1 1 45 45 GLY C C 45 174.860 174.860 173.916 0.944 25460 7287 1 17 . 1 1 45 45 GLY CA C 45 44.240 44.240 45.020 -0.780 25460 7288 1 17 . 1 1 45 45 GLY H H 45 9.423 9.423 9.237 0.186 25460 7289 1 17 . 1 1 46 46 THR N N 46 111.410 111.410 113.946 -2.536 25460 7290 1 17 . 1 1 46 46 THR HA H 46 4.974 4.974 4.751 0.223 25460 7291 1 17 . 1 1 46 46 THR C C 46 172.310 172.310 173.761 -1.451 25460 7292 1 17 . 1 1 46 46 THR CA C 46 60.280 60.280 60.281 -0.001 25460 7293 1 17 . 1 1 46 46 THR CB C 46 72.160 72.160 71.437 0.723 25460 7294 1 17 . 1 1 46 46 THR H H 46 7.925 7.925 7.896 0.029 25460 7295 1 17 . 1 1 47 47 THR N N 47 109.430 109.430 113.381 -3.951 25460 7296 1 17 . 1 1 47 47 THR HA H 47 5.383 5.383 5.247 0.136 25460 7297 1 17 . 1 1 47 47 THR C C 47 174.560 174.560 174.011 0.549 25460 7298 1 17 . 1 1 47 47 THR CA C 47 59.240 59.240 60.189 -0.949 25460 7299 1 17 . 1 1 47 47 THR CB C 47 71.840 71.840 70.694 1.146 25460 7300 1 17 . 1 1 47 47 THR H H 47 7.784 7.784 8.324 -0.540 25460 7301 1 17 . 1 1 48 48 ALA N N 48 122.630 122.630 124.503 -1.873 25460 7302 1 17 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.619 0.039 25460 7303 1 17 . 1 1 48 48 ALA C C 48 175.620 175.620 175.334 0.286 25460 7304 1 17 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.387 0.213 25460 7305 1 17 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.116 2.294 25460 7306 1 17 . 1 1 48 48 ALA H H 48 8.681 8.681 8.898 -0.217 25460 7307 1 17 . 1 1 49 49 THR N N 49 116.020 116.020 118.349 -2.329 25460 7308 1 17 . 1 1 49 49 THR HA H 49 4.914 4.914 4.677 0.237 25460 7309 1 17 . 1 1 49 49 THR C C 49 174.400 174.400 174.307 0.093 25460 7310 1 17 . 1 1 49 49 THR CA C 49 62.320 62.320 62.049 0.271 25460 7311 1 17 . 1 1 49 49 THR CB C 49 69.260 69.260 68.905 0.355 25460 7312 1 17 . 1 1 49 49 THR H H 49 8.347 8.347 8.407 -0.060 25460 7313 1 17 . 1 1 50 50 ILE N N 50 126.050 126.050 130.062 -4.012 25460 7314 1 17 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.290 0.146 25460 7315 1 17 . 1 1 50 50 ILE C C 50 175.080 175.080 175.537 -0.457 25460 7316 1 17 . 1 1 50 50 ILE CA C 50 59.510 59.510 59.272 0.238 25460 7317 1 17 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.497 2.173 25460 7318 1 17 . 1 1 50 50 ILE H H 50 9.199 9.199 8.881 0.318 25460 7319 1 17 . 1 1 51 51 THR N N 51 120.630 120.630 123.842 -3.212 25460 7320 1 17 . 1 1 51 51 THR HA H 51 5.312 5.312 5.132 0.180 25460 7321 1 17 . 1 1 51 51 THR C C 51 174.250 174.250 173.325 0.925 25460 7322 1 17 . 1 1 51 51 THR CA C 51 61.030 61.030 61.307 -0.277 25460 7323 1 17 . 1 1 51 51 THR CB C 51 69.850 69.850 69.703 0.147 25460 7324 1 17 . 1 1 51 51 THR H H 51 8.500 8.500 8.680 -0.180 25460 7325 1 17 . 1 1 52 52 ALA N N 52 127.710 127.710 127.823 -0.113 25460 7326 1 17 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.927 -0.216 25460 7327 1 17 . 1 1 52 52 ALA C C 52 176.530 176.530 176.873 -0.343 25460 7328 1 17 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.493 0.487 25460 7329 1 17 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.625 1.095 25460 7330 1 17 . 1 1 52 52 ALA H H 52 9.202 9.202 9.130 0.072 25460 7331 1 17 . 1 1 53 53 ARG N N 53 118.780 118.780 122.450 -3.670 25460 7332 1 17 . 1 1 53 53 ARG HA H 53 3.856 3.856 4.014 -0.158 25460 7333 1 17 . 1 1 53 53 ARG C C 53 177.070 177.070 175.882 1.188 25460 7334 1 17 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.670 0.360 25460 7335 1 17 . 1 1 53 53 ARG CB C 53 27.040 27.040 28.087 -1.047 25460 7336 1 17 . 1 1 53 53 ARG H H 53 9.303 9.303 9.238 0.065 25460 7337 1 17 . 1 1 54 54 GLY N N 54 104.070 104.070 103.400 0.670 25460 7338 1 17 . 1 1 54 54 GLY C C 54 174.110 174.110 173.624 0.486 25460 7339 1 17 . 1 1 54 54 GLY CA C 54 45.360 45.360 44.909 0.451 25460 7340 1 17 . 1 1 54 54 GLY H H 54 8.714 8.714 8.395 0.319 25460 7341 1 17 . 1 1 55 55 HIS N N 55 119.170 119.170 120.967 -1.797 25460 7342 1 17 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.619 0.157 25460 7343 1 17 . 1 1 55 55 HIS C C 55 172.310 172.310 173.240 -0.930 25460 7344 1 17 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.017 -0.987 25460 7345 1 17 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.206 0.894 25460 7346 1 17 . 1 1 55 55 HIS H H 55 8.227 8.227 8.145 0.082 25460 7347 1 17 . 1 1 56 56 GLU N N 56 119.640 119.640 123.305 -3.665 25460 7348 1 17 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.185 -0.098 25460 7349 1 17 . 1 1 56 56 GLU C C 56 176.150 176.150 175.285 0.865 25460 7350 1 17 . 1 1 56 56 GLU CA C 56 55.090 55.090 53.980 1.110 25460 7351 1 17 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.349 1.431 25460 7352 1 17 . 1 1 56 56 GLU H H 56 8.024 8.024 8.517 -0.493 25460 7353 1 17 . 1 1 57 57 PHE N N 57 121.660 121.660 124.825 -3.165 25460 7354 1 17 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.694 0.080 25460 7355 1 17 . 1 1 57 57 PHE C C 57 173.930 173.930 175.039 -1.109 25460 7356 1 17 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.577 -0.107 25460 7357 1 17 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.998 0.452 25460 7358 1 17 . 1 1 57 57 PHE H H 57 9.219 9.219 9.201 0.018 25460 7359 1 17 . 1 1 58 58 GLU N N 58 125.630 125.630 126.698 -1.068 25460 7360 1 17 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.664 0.560 25460 7361 1 17 . 1 1 58 58 GLU C C 58 175.820 175.820 175.684 0.136 25460 7362 1 17 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.666 -0.206 25460 7363 1 17 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.650 0.300 25460 7364 1 17 . 1 1 58 58 GLU H H 58 8.597 8.597 9.034 -0.437 25460 7365 1 17 . 1 1 59 59 VAL N N 59 120.690 120.690 121.984 -1.294 25460 7366 1 17 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.876 0.539 25460 7367 1 17 . 1 1 59 59 VAL C C 59 174.790 174.790 174.003 0.787 25460 7368 1 17 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.424 -0.874 25460 7369 1 17 . 1 1 59 59 VAL CB C 59 34.150 34.150 35.276 -1.126 25460 7370 1 17 . 1 1 59 59 VAL H H 59 8.809 8.809 9.024 -0.215 25460 7371 1 17 . 1 1 60 60 GLU N N 60 118.570 118.570 124.455 -5.885 25460 7372 1 17 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.841 -0.224 25460 7373 1 17 . 1 1 60 60 GLU C C 60 176.050 176.050 175.828 0.222 25460 7374 1 17 . 1 1 60 60 GLU CA C 60 54.180 54.180 53.860 0.320 25460 7375 1 17 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.804 -0.754 25460 7376 1 17 . 1 1 60 60 GLU H H 60 8.024 8.024 8.702 -0.678 25460 7377 1 17 . 1 1 61 61 ALA N N 61 132.630 132.630 131.983 0.647 25460 7378 1 17 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.592 0.107 25460 7379 1 17 . 1 1 61 61 ALA C C 61 176.260 176.260 177.082 -0.822 25460 7380 1 17 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.500 -0.980 25460 7381 1 17 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.248 -0.538 25460 7382 1 17 . 1 1 61 61 ALA H H 61 8.230 8.230 8.885 -0.655 25460 7383 1 17 . 1 1 62 62 LYS N N 62 126.080 126.080 122.881 3.199 25460 7384 1 17 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.146 -0.148 25460 7385 1 17 . 1 1 62 62 LYS C C 62 177.030 177.030 176.777 0.253 25460 7386 1 17 . 1 1 62 62 LYS CA C 62 59.590 59.590 58.789 0.801 25460 7387 1 17 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.870 1.670 25460 7388 1 17 . 1 1 62 62 LYS H H 62 9.070 9.070 7.930 1.140 25460 7389 1 17 . 1 1 63 63 ASP N N 63 110.550 110.550 116.499 -5.949 25460 7390 1 17 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.836 -0.450 25460 7391 1 17 . 1 1 63 63 ASP C C 63 175.810 175.810 176.545 -0.735 25460 7392 1 17 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.582 0.568 25460 7393 1 17 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.289 -2.039 25460 7394 1 17 . 1 1 63 63 ASP H H 63 7.507 7.507 8.076 -0.569 25460 7395 1 17 . 1 1 64 64 GLN N N 64 112.740 112.740 120.885 -8.145 25460 7396 1 17 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.196 -0.096 25460 7397 1 17 . 1 1 64 64 GLN C C 64 175.950 175.950 176.237 -0.287 25460 7398 1 17 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.293 0.397 25460 7399 1 17 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.518 -0.678 25460 7400 1 17 . 1 1 64 64 GLN H H 64 8.410 8.410 8.803 -0.393 25460 7401 1 17 . 1 1 65 65 ASN N N 65 117.790 117.790 117.414 0.376 25460 7402 1 17 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.704 -0.125 25460 7403 1 17 . 1 1 65 65 ASN C C 65 177.250 177.250 174.963 2.287 25460 7404 1 17 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.845 1.275 25460 7405 1 17 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.987 -2.077 25460 7406 1 17 . 1 1 65 65 ASN H H 65 8.747 8.747 7.985 0.762 25460 7407 1 17 . 1 1 66 66 CYS N N 66 112.640 112.640 116.141 -3.501 25460 7408 1 17 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.215 0.210 25460 7409 1 17 . 1 1 66 66 CYS C C 66 174.970 174.970 173.700 1.270 25460 7410 1 17 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.076 -3.946 25460 7411 1 17 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.725 11.435 25460 7412 1 17 . 1 1 66 66 CYS H H 66 8.527 8.527 7.834 0.693 25460 7413 1 17 . 1 1 67 67 LYS N N 67 116.240 116.240 120.997 -4.757 25460 7414 1 17 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.484 -0.307 25460 7415 1 17 . 1 1 67 67 LYS C C 67 178.480 178.480 176.162 2.318 25460 7416 1 17 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.411 2.449 25460 7417 1 17 . 1 1 67 67 LYS CB C 67 32.120 32.120 33.887 -1.767 25460 7418 1 17 . 1 1 67 67 LYS H H 67 8.014 8.014 8.200 -0.186 25460 7419 1 17 . 1 1 68 68 VAL N N 68 126.980 126.980 126.472 0.508 25460 7420 1 17 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.240 -0.565 25460 7421 1 17 . 1 1 68 68 VAL C C 68 174.460 174.460 174.482 -0.022 25460 7422 1 17 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.751 2.999 25460 7423 1 17 . 1 1 68 68 VAL CB C 68 30.160 30.160 31.596 -1.437 25460 7424 1 17 . 1 1 68 68 VAL H H 68 8.967 8.967 8.676 0.291 25460 7425 1 17 . 1 1 69 69 ILE N N 69 132.540 132.540 129.567 2.973 25460 7426 1 17 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.580 -0.401 25460 7427 1 17 . 1 1 69 69 ILE C C 69 175.060 175.060 174.952 0.108 25460 7428 1 17 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.764 0.796 25460 7429 1 17 . 1 1 69 69 ILE CB C 69 41.490 41.490 39.880 1.610 25460 7430 1 17 . 1 1 69 69 ILE H H 69 8.689 8.689 7.919 0.770 25460 7431 1 17 . 1 1 70 70 LEU N N 70 125.290 125.290 128.830 -3.540 25460 7432 1 17 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.916 0.382 25460 7433 1 17 . 1 1 70 70 LEU C C 70 180.800 180.800 179.045 1.755 25460 7434 1 17 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.897 -1.706 25460 7435 1 17 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.978 -1.828 25460 7436 1 17 . 1 1 70 70 LEU H H 70 8.829 8.829 9.361 -0.532 25460 7437 1 17 . 1 1 71 71 THR N N 71 115.510 115.510 115.724 -0.214 25460 7438 1 17 . 1 1 71 71 THR HA H 71 4.094 4.094 4.132 -0.038 25460 7439 1 17 . 1 1 71 71 THR C C 71 176.240 176.240 175.372 0.868 25460 7440 1 17 . 1 1 71 71 THR CA C 71 63.950 63.950 65.042 -1.092 25460 7441 1 17 . 1 1 71 71 THR CB C 71 68.280 68.280 68.273 0.007 25460 7442 1 17 . 1 1 71 71 THR H H 71 8.546 8.546 8.772 -0.226 25460 7443 1 17 . 1 1 72 72 ASN N N 72 117.010 117.010 118.442 -1.432 25460 7444 1 17 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.801 -0.237 25460 7445 1 17 . 1 1 72 72 ASN C C 72 177.340 177.340 175.806 1.534 25460 7446 1 17 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.705 -0.995 25460 7447 1 17 . 1 1 72 72 ASN CB C 72 37.220 37.220 39.255 -2.035 25460 7448 1 17 . 1 1 72 72 ASN H H 72 8.162 8.162 8.061 0.101 25460 7449 1 17 . 1 1 73 73 GLY N N 73 106.660 106.660 108.812 -2.152 25460 7450 1 17 . 1 1 73 73 GLY C C 73 175.020 175.020 173.784 1.236 25460 7451 1 17 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.221 0.478 25460 7452 1 17 . 1 1 73 73 GLY H H 73 7.985 7.985 8.284 -0.299 25460 7453 1 17 . 1 1 74 74 LYS N N 74 120.730 120.730 120.719 0.011 25460 7454 1 17 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.603 -0.305 25460 7455 1 17 . 1 1 74 74 LYS C C 74 175.720 175.720 175.053 0.667 25460 7456 1 17 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.329 1.401 25460 7457 1 17 . 1 1 74 74 LYS CB C 74 32.490 32.490 34.204 -1.714 25460 7458 1 17 . 1 1 74 74 LYS H H 74 7.820 7.820 7.550 0.270 25460 7459 1 17 . 1 1 75 75 GLN N N 75 119.590 119.590 122.785 -3.195 25460 7460 1 17 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.944 -0.788 25460 7461 1 17 . 1 1 75 75 GLN C C 75 176.490 176.490 175.429 1.061 25460 7462 1 17 . 1 1 75 75 GLN CA C 75 55.580 55.580 54.827 0.753 25460 7463 1 17 . 1 1 75 75 GLN CB C 75 29.020 29.020 30.668 -1.648 25460 7464 1 17 . 1 1 75 75 GLN H H 75 8.273 8.273 8.672 -0.399 25460 7465 1 17 . 1 1 76 76 ALA N N 76 129.340 129.340 129.911 -0.571 25460 7466 1 17 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.345 -0.179 25460 7467 1 17 . 1 1 76 76 ALA C C 76 174.920 174.920 175.128 -0.208 25460 7468 1 17 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.200 -0.120 25460 7469 1 17 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.640 0.240 25460 7470 1 17 . 1 1 76 76 ALA H H 76 8.698 8.698 8.181 0.517 25460 7471 1 17 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.113 0.124 25460 7472 1 17 . 1 1 77 77 PRO C C 77 178.170 178.170 176.916 1.254 25460 7473 1 17 . 1 1 77 77 PRO CA C 77 62.170 62.170 62.269 -0.099 25460 7474 1 17 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.524 -0.054 25460 7475 1 17 . 1 1 78 78 ASP N N 78 121.040 121.040 120.438 0.602 25460 7476 1 17 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.311 -0.094 25460 7477 1 17 . 1 1 78 78 ASP C C 78 176.610 176.610 177.457 -0.847 25460 7478 1 17 . 1 1 78 78 ASP CA C 78 56.500 56.500 57.028 -0.528 25460 7479 1 17 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.911 -0.381 25460 7480 1 17 . 1 1 78 78 ASP H H 78 8.607 8.607 8.601 0.006 25460 7481 1 17 . 1 1 79 79 TRP N N 79 114.440 114.440 114.742 -0.302 25460 7482 1 17 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.558 -0.066 25460 7483 1 17 . 1 1 79 79 TRP C C 79 175.280 175.280 175.471 -0.191 25460 7484 1 17 . 1 1 79 79 TRP CA C 79 54.630 54.630 56.432 -1.802 25460 7485 1 17 . 1 1 79 79 TRP CB C 79 29.140 29.140 28.955 0.185 25460 7486 1 17 . 1 1 79 79 TRP H H 79 6.768 6.768 7.691 -0.923 25460 7487 1 17 . 1 1 80 80 LEU N N 80 123.450 123.450 124.301 -0.851 25460 7488 1 17 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.997 -0.236 25460 7489 1 17 . 1 1 80 80 LEU C C 80 174.270 174.270 175.398 -1.128 25460 7490 1 17 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.499 1.351 25460 7491 1 17 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.011 0.879 25460 7492 1 17 . 1 1 80 80 LEU H H 80 6.577 6.577 6.903 -0.326 25460 7493 1 17 . 1 1 81 81 ALA N N 81 130.910 130.910 130.169 0.741 25460 7494 1 17 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.645 0.022 25460 7495 1 17 . 1 1 81 81 ALA C C 81 175.210 175.210 175.332 -0.122 25460 7496 1 17 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.734 -0.424 25460 7497 1 17 . 1 1 81 81 ALA CB C 81 23.270 23.270 21.814 1.456 25460 7498 1 17 . 1 1 81 81 ALA H H 81 9.037 9.037 8.743 0.294 25460 7499 1 17 . 1 1 82 82 ALA N N 82 119.120 119.120 126.692 -7.572 25460 7500 1 17 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.396 0.281 25460 7501 1 17 . 1 1 82 82 ALA C C 82 177.280 177.280 176.175 1.105 25460 7502 1 17 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.069 0.941 25460 7503 1 17 . 1 1 82 82 ALA CB C 82 22.240 22.240 20.947 1.293 25460 7504 1 17 . 1 1 82 82 ALA H H 82 8.159 8.159 8.409 -0.250 25460 7505 1 17 . 1 1 83 83 GLU N N 83 116.910 116.910 121.176 -4.266 25460 7506 1 17 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.877 0.061 25460 7507 1 17 . 1 1 83 83 GLU C C 83 172.560 172.560 174.305 -1.745 25460 7508 1 17 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.627 0.383 25460 7509 1 17 . 1 1 83 83 GLU CB C 83 32.470 32.470 32.552 -0.082 25460 7510 1 17 . 1 1 83 83 GLU H H 83 8.614 8.614 8.437 0.177 25460 7511 1 17 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.652 0.861 25460 7512 1 17 . 1 1 84 84 PRO C C 84 177.340 177.340 175.935 1.405 25460 7513 1 17 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.531 -0.601 25460 7514 1 17 . 1 1 84 84 PRO CB C 84 32.420 32.420 31.991 0.429 25460 7515 1 18 . 1 1 8 8 GLY N N 8 110.720 110.720 109.297 1.423 25460 7516 1 18 . 1 1 8 8 GLY C C 8 174.650 174.650 172.729 1.921 25460 7517 1 18 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.472 0.998 25460 7518 1 18 . 1 1 8 8 GLY H H 8 8.462 8.462 8.374 0.088 25460 7519 1 18 . 1 1 9 9 ARG N N 9 120.430 120.430 121.255 -0.825 25460 7520 1 18 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.391 -0.073 25460 7521 1 18 . 1 1 9 9 ARG C C 9 176.790 176.790 175.365 1.425 25460 7522 1 18 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.870 0.470 25460 7523 1 18 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.302 0.228 25460 7524 1 18 . 1 1 9 9 ARG H H 9 8.206 8.206 8.469 -0.263 25460 7525 1 18 . 1 1 10 10 GLU N N 10 121.220 121.220 123.688 -2.468 25460 7526 1 18 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.347 -0.137 25460 7527 1 18 . 1 1 10 10 GLU C C 10 176.600 176.600 175.852 0.748 25460 7528 1 18 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.294 0.976 25460 7529 1 18 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.588 -0.808 25460 7530 1 18 . 1 1 10 10 GLU H H 10 8.562 8.562 8.167 0.395 25460 7531 1 18 . 1 1 11 11 ASN N N 11 118.900 118.900 125.161 -6.261 25460 7532 1 18 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.888 -0.218 25460 7533 1 18 . 1 1 11 11 ASN C C 11 175.420 175.420 174.036 1.384 25460 7534 1 18 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.976 0.474 25460 7535 1 18 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.107 -0.397 25460 7536 1 18 . 1 1 11 11 ASN H H 11 8.337 8.337 8.590 -0.253 25460 7537 1 18 . 1 1 12 12 LEU N N 12 121.830 121.830 124.742 -2.912 25460 7538 1 18 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.395 -0.203 25460 7539 1 18 . 1 1 12 12 LEU C C 12 177.290 177.290 175.986 1.304 25460 7540 1 18 . 1 1 12 12 LEU CA C 12 55.630 55.630 53.864 1.766 25460 7541 1 18 . 1 1 12 12 LEU CB C 12 42.260 42.260 42.526 -0.266 25460 7542 1 18 . 1 1 12 12 LEU H H 12 7.988 7.988 8.154 -0.166 25460 7543 1 18 . 1 1 13 13 TYR N N 13 119.550 119.550 124.342 -4.792 25460 7544 1 18 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.456 0.042 25460 7545 1 18 . 1 1 13 13 TYR C C 13 175.950 175.950 175.730 0.220 25460 7546 1 18 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.841 0.089 25460 7547 1 18 . 1 1 13 13 TYR CB C 13 38.590 38.590 38.022 0.568 25460 7548 1 18 . 1 1 13 13 TYR H H 13 7.966 7.966 8.356 -0.390 25460 7549 1 18 . 1 1 14 14 PHE N N 14 121.130 121.130 125.824 -4.694 25460 7550 1 18 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.512 0.012 25460 7551 1 18 . 1 1 14 14 PHE C C 14 175.820 175.820 175.971 -0.151 25460 7552 1 18 . 1 1 14 14 PHE CA C 14 57.950 57.950 57.687 0.263 25460 7553 1 18 . 1 1 14 14 PHE CB C 14 39.510 39.510 39.767 -0.257 25460 7554 1 18 . 1 1 14 14 PHE H H 14 8.006 8.006 8.279 -0.273 25460 7555 1 18 . 1 1 15 15 GLN N N 15 121.840 121.840 121.394 0.446 25460 7556 1 18 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.512 -0.327 25460 7557 1 18 . 1 1 15 15 GLN C C 15 176.420 176.420 176.489 -0.069 25460 7558 1 18 . 1 1 15 15 GLN CA C 15 56.180 56.180 54.970 1.210 25460 7559 1 18 . 1 1 15 15 GLN CB C 15 29.110 29.110 27.154 1.956 25460 7560 1 18 . 1 1 15 15 GLN H H 15 8.217 8.217 8.829 -0.612 25460 7561 1 18 . 1 1 16 16 GLY N N 16 108.430 108.430 113.147 -4.717 25460 7562 1 18 . 1 1 16 16 GLY C C 16 174.140 174.140 174.003 0.137 25460 7563 1 18 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.023 0.288 25460 7564 1 18 . 1 1 16 16 GLY H H 16 7.907 7.907 8.441 -0.534 25460 7565 1 18 . 1 1 17 17 HIS N N 17 117.990 117.990 124.646 -6.656 25460 7566 1 18 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.637 -0.760 25460 7567 1 18 . 1 1 17 17 HIS C C 17 174.610 174.610 174.360 0.250 25460 7568 1 18 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.514 -0.084 25460 7569 1 18 . 1 1 17 17 HIS CB C 17 29.280 29.280 31.445 -2.164 25460 7570 1 18 . 1 1 17 17 HIS H H 17 8.250 8.250 8.056 0.194 25460 7571 1 18 . 1 1 18 18 MET N N 18 121.430 121.430 124.713 -3.283 25460 7572 1 18 . 1 1 18 18 MET HA H 18 4.395 4.395 4.455 -0.060 25460 7573 1 18 . 1 1 18 18 MET C C 18 175.750 175.750 175.246 0.504 25460 7574 1 18 . 1 1 18 18 MET CA C 18 55.660 55.660 54.202 1.458 25460 7575 1 18 . 1 1 18 18 MET CB C 18 32.740 32.740 32.973 -0.233 25460 7576 1 18 . 1 1 18 18 MET H H 18 8.320 8.320 8.180 0.140 25460 7577 1 18 . 1 1 19 19 ALA N N 19 125.550 125.550 128.698 -3.148 25460 7578 1 18 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.350 -0.078 25460 7579 1 18 . 1 1 19 19 ALA C C 19 176.950 176.950 176.838 0.112 25460 7580 1 18 . 1 1 19 19 ALA CA C 19 52.260 52.260 52.061 0.199 25460 7581 1 18 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.667 0.463 25460 7582 1 18 . 1 1 19 19 ALA H H 19 8.262 8.262 8.677 -0.415 25460 7583 1 18 . 1 1 20 20 ALA N N 20 124.430 124.430 120.420 4.010 25460 7584 1 18 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.391 0.145 25460 7585 1 18 . 1 1 20 20 ALA C C 20 175.390 175.390 175.899 -0.509 25460 7586 1 18 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.924 -1.824 25460 7587 1 18 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.190 1.230 25460 7588 1 18 . 1 1 20 20 ALA H H 20 8.083 8.083 7.778 0.305 25460 7589 1 18 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.148 0.302 25460 7590 1 18 . 1 1 21 21 PRO C C 21 175.770 175.770 176.499 -0.729 25460 7591 1 18 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.990 -8.470 25460 7592 1 18 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.230 0.730 25460 7593 1 18 . 1 1 22 22 ALA N N 22 124.420 124.420 120.658 3.762 25460 7594 1 18 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.079 0.254 25460 7595 1 18 . 1 1 22 22 ALA C C 22 176.920 176.920 177.549 -0.629 25460 7596 1 18 . 1 1 22 22 ALA CA C 22 52.350 52.350 52.506 -0.156 25460 7597 1 18 . 1 1 22 22 ALA CB C 22 19.190 19.190 18.500 0.690 25460 7598 1 18 . 1 1 22 22 ALA H H 22 8.235 8.235 7.850 0.385 25460 7599 1 18 . 1 1 23 23 ARG N N 23 120.140 120.140 123.690 -3.550 25460 7600 1 18 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.432 -0.089 25460 7601 1 18 . 1 1 23 23 ARG C C 23 176.220 176.220 176.601 -0.381 25460 7602 1 18 . 1 1 23 23 ARG CA C 23 57.000 57.000 58.388 -1.388 25460 7603 1 18 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.919 1.571 25460 7604 1 18 . 1 1 23 23 ARG H H 23 9.271 9.271 8.087 1.184 25460 7605 1 18 . 1 1 24 24 PHE N N 24 119.130 119.130 112.906 6.224 25460 7606 1 18 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.455 -0.073 25460 7607 1 18 . 1 1 24 24 PHE C C 24 175.910 175.910 173.696 2.214 25460 7608 1 18 . 1 1 24 24 PHE CA C 24 56.850 56.850 55.429 1.421 25460 7609 1 18 . 1 1 24 24 PHE CB C 24 43.560 43.560 41.504 2.056 25460 7610 1 18 . 1 1 24 24 PHE H H 24 9.270 9.270 7.864 1.406 25460 7611 1 18 . 1 1 25 25 CYS N N 25 116.300 116.300 118.350 -2.050 25460 7612 1 18 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.256 0.063 25460 7613 1 18 . 1 1 25 25 CYS C C 25 172.990 172.990 173.031 -0.041 25460 7614 1 18 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.045 -2.845 25460 7615 1 18 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.540 9.200 25460 7616 1 18 . 1 1 25 25 CYS H H 25 9.254 9.254 9.133 0.121 25460 7617 1 18 . 1 1 26 26 VAL N N 26 126.290 126.290 126.436 -0.146 25460 7618 1 18 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.847 -0.465 25460 7619 1 18 . 1 1 26 26 VAL C C 26 174.520 174.520 174.649 -0.129 25460 7620 1 18 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.824 -0.084 25460 7621 1 18 . 1 1 26 26 VAL CB C 26 32.380 32.380 33.226 -0.846 25460 7622 1 18 . 1 1 26 26 VAL H H 26 9.512 9.512 9.013 0.499 25460 7623 1 18 . 1 1 27 27 TYR N N 27 123.620 123.620 126.753 -3.133 25460 7624 1 18 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.604 -0.460 25460 7625 1 18 . 1 1 27 27 TYR C C 27 175.400 175.400 175.364 0.036 25460 7626 1 18 . 1 1 27 27 TYR CA C 27 57.100 57.100 56.136 0.963 25460 7627 1 18 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.508 0.352 25460 7628 1 18 . 1 1 27 27 TYR H H 27 8.240 8.240 9.243 -1.003 25460 7629 1 18 . 1 1 28 28 TYR N N 28 119.740 119.740 119.822 -0.082 25460 7630 1 18 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.303 -0.030 25460 7631 1 18 . 1 1 28 28 TYR C C 28 174.590 174.590 174.773 -0.183 25460 7632 1 18 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.380 0.520 25460 7633 1 18 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.808 1.282 25460 7634 1 18 . 1 1 28 28 TYR H H 28 9.448 9.448 9.396 0.052 25460 7635 1 18 . 1 1 29 29 ASP N N 29 118.650 118.650 122.881 -4.231 25460 7636 1 18 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.049 0.206 25460 7637 1 18 . 1 1 29 29 ASP C C 29 177.670 177.670 175.929 1.741 25460 7638 1 18 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.547 -1.747 25460 7639 1 18 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.610 -0.260 25460 7640 1 18 . 1 1 29 29 ASP H H 29 8.995 8.995 9.083 -0.088 25460 7641 1 18 . 1 1 30 30 GLY N N 30 114.740 114.740 115.780 -1.040 25460 7642 1 18 . 1 1 30 30 GLY C C 30 173.320 173.320 172.721 0.599 25460 7643 1 18 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.116 -1.006 25460 7644 1 18 . 1 1 30 30 GLY H H 30 9.046 9.046 8.993 0.053 25460 7645 1 18 . 1 1 31 31 HIS N N 31 113.880 113.880 116.417 -2.537 25460 7646 1 18 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.601 -0.108 25460 7647 1 18 . 1 1 31 31 HIS C C 31 175.230 175.230 174.110 1.120 25460 7648 1 18 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.441 0.539 25460 7649 1 18 . 1 1 31 31 HIS CB C 31 30.630 30.630 29.713 0.917 25460 7650 1 18 . 1 1 31 31 HIS H H 31 8.306 8.306 8.583 -0.277 25460 7651 1 18 . 1 1 32 32 LEU N N 32 124.060 124.060 121.568 2.492 25460 7652 1 18 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.681 0.143 25460 7653 1 18 . 1 1 32 32 LEU C C 32 176.030 176.030 175.300 0.730 25460 7654 1 18 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.742 1.338 25460 7655 1 18 . 1 1 32 32 LEU CB C 32 41.540 41.540 44.819 -3.279 25460 7656 1 18 . 1 1 32 32 LEU H H 32 8.477 8.477 7.478 0.999 25460 7657 1 18 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.172 -0.419 25460 7658 1 18 . 1 1 33 33 PRO C C 33 177.880 177.880 177.555 0.325 25460 7659 1 18 . 1 1 33 33 PRO CA C 33 65.500 65.500 65.034 0.466 25460 7660 1 18 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.710 0.059 25460 7661 1 18 . 1 1 34 34 ALA N N 34 115.220 115.220 119.008 -3.788 25460 7662 1 18 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.242 -0.049 25460 7663 1 18 . 1 1 34 34 ALA C C 34 179.120 179.120 178.117 1.003 25460 7664 1 18 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.638 0.972 25460 7665 1 18 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.039 0.391 25460 7666 1 18 . 1 1 34 34 ALA H H 34 8.193 8.193 8.058 0.135 25460 7667 1 18 . 1 1 35 35 THR N N 35 102.120 102.120 113.361 -11.241 25460 7668 1 18 . 1 1 35 35 THR HA H 35 4.597 4.597 4.587 0.010 25460 7669 1 18 . 1 1 35 35 THR C C 35 175.610 175.610 172.904 2.706 25460 7670 1 18 . 1 1 35 35 THR CA C 35 60.400 60.400 61.157 -0.757 25460 7671 1 18 . 1 1 35 35 THR CB C 35 70.550 70.550 69.290 1.260 25460 7672 1 18 . 1 1 35 35 THR H H 35 7.187 7.187 7.856 -0.669 25460 7673 1 18 . 1 1 36 36 ARG N N 36 122.520 122.520 122.796 -0.276 25460 7674 1 18 . 1 1 36 36 ARG HA H 36 4.763 4.763 5.182 -0.419 25460 7675 1 18 . 1 1 36 36 ARG C C 36 175.220 175.220 175.510 -0.290 25460 7676 1 18 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.095 0.995 25460 7677 1 18 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.777 -0.897 25460 7678 1 18 . 1 1 36 36 ARG H H 36 7.918 7.918 7.446 0.472 25460 7679 1 18 . 1 1 37 37 VAL N N 37 122.110 122.110 125.224 -3.114 25460 7680 1 18 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.304 0.037 25460 7681 1 18 . 1 1 37 37 VAL C C 37 175.690 175.690 175.273 0.417 25460 7682 1 18 . 1 1 37 37 VAL CA C 37 61.330 61.330 61.021 0.309 25460 7683 1 18 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.881 1.169 25460 7684 1 18 . 1 1 37 37 VAL H H 37 8.603 8.603 8.982 -0.379 25460 7685 1 18 . 1 1 38 38 LEU N N 38 130.470 130.470 129.329 1.141 25460 7686 1 18 . 1 1 38 38 LEU HA H 38 3.769 3.769 3.831 -0.062 25460 7687 1 18 . 1 1 38 38 LEU C C 38 176.510 176.510 175.854 0.656 25460 7688 1 18 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.178 1.192 25460 7689 1 18 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.460 0.360 25460 7690 1 18 . 1 1 38 38 LEU H H 38 8.708 8.708 8.731 -0.023 25460 7691 1 18 . 1 1 39 39 LEU N N 39 126.440 126.440 127.561 -1.121 25460 7692 1 18 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.485 0.142 25460 7693 1 18 . 1 1 39 39 LEU C C 39 176.800 176.800 176.742 0.058 25460 7694 1 18 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.795 -0.065 25460 7695 1 18 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.055 -0.725 25460 7696 1 18 . 1 1 39 39 LEU H H 39 9.254 9.254 8.711 0.543 25460 7697 1 18 . 1 1 40 40 MET N N 40 114.550 114.550 113.391 1.159 25460 7698 1 18 . 1 1 40 40 MET HA H 40 4.471 4.471 4.689 -0.218 25460 7699 1 18 . 1 1 40 40 MET C C 40 173.750 173.750 173.719 0.031 25460 7700 1 18 . 1 1 40 40 MET CA C 40 56.040 56.040 55.236 0.805 25460 7701 1 18 . 1 1 40 40 MET CB C 40 36.880 36.880 37.327 -0.447 25460 7702 1 18 . 1 1 40 40 MET H H 40 7.054 7.054 7.400 -0.346 25460 7703 1 18 . 1 1 41 41 TYR N N 41 123.270 123.270 119.677 3.593 25460 7704 1 18 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.552 -0.739 25460 7705 1 18 . 1 1 41 41 TYR C C 41 175.680 175.680 175.786 -0.106 25460 7706 1 18 . 1 1 41 41 TYR CA C 41 57.940 57.940 56.903 1.038 25460 7707 1 18 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.764 -0.305 25460 7708 1 18 . 1 1 41 41 TYR H H 41 8.563 8.563 8.601 -0.038 25460 7709 1 18 . 1 1 42 42 VAL N N 42 123.930 123.930 123.480 0.450 25460 7710 1 18 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.420 -0.011 25460 7711 1 18 . 1 1 42 42 VAL C C 42 175.600 175.600 174.729 0.871 25460 7712 1 18 . 1 1 42 42 VAL CA C 42 61.480 61.480 61.074 0.406 25460 7713 1 18 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.072 0.238 25460 7714 1 18 . 1 1 42 42 VAL H H 42 9.442 9.442 9.341 0.101 25460 7715 1 18 . 1 1 43 43 ARG N N 43 129.290 129.290 127.389 1.901 25460 7716 1 18 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.636 -0.712 25460 7717 1 18 . 1 1 43 43 ARG C C 43 177.010 177.010 176.447 0.563 25460 7718 1 18 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.479 1.281 25460 7719 1 18 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.749 -0.769 25460 7720 1 18 . 1 1 43 43 ARG H H 43 8.940 8.940 8.834 0.106 25460 7721 1 18 . 1 1 44 44 ILE N N 44 128.260 128.260 126.709 1.551 25460 7722 1 18 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.780 -0.094 25460 7723 1 18 . 1 1 44 44 ILE C C 44 177.020 177.020 176.753 0.267 25460 7724 1 18 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.430 2.500 25460 7725 1 18 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.450 1.790 25460 7726 1 18 . 1 1 44 44 ILE H H 44 8.345 8.345 8.474 -0.129 25460 7727 1 18 . 1 1 45 45 GLY N N 45 115.530 115.530 116.729 -1.199 25460 7728 1 18 . 1 1 45 45 GLY C C 45 174.860 174.860 174.179 0.681 25460 7729 1 18 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.891 -0.651 25460 7730 1 18 . 1 1 45 45 GLY H H 45 9.423 9.423 9.068 0.355 25460 7731 1 18 . 1 1 46 46 THR N N 46 111.410 111.410 114.286 -2.876 25460 7732 1 18 . 1 1 46 46 THR HA H 46 4.974 4.974 4.721 0.253 25460 7733 1 18 . 1 1 46 46 THR C C 46 172.310 172.310 173.739 -1.429 25460 7734 1 18 . 1 1 46 46 THR CA C 46 60.280 60.280 60.381 -0.101 25460 7735 1 18 . 1 1 46 46 THR CB C 46 72.160 72.160 71.130 1.030 25460 7736 1 18 . 1 1 46 46 THR H H 46 7.925 7.925 8.065 -0.140 25460 7737 1 18 . 1 1 47 47 THR N N 47 109.430 109.430 112.404 -2.974 25460 7738 1 18 . 1 1 47 47 THR HA H 47 5.383 5.383 5.271 0.112 25460 7739 1 18 . 1 1 47 47 THR C C 47 174.560 174.560 174.063 0.497 25460 7740 1 18 . 1 1 47 47 THR CA C 47 59.240 59.240 60.376 -1.136 25460 7741 1 18 . 1 1 47 47 THR CB C 47 71.840 71.840 70.645 1.195 25460 7742 1 18 . 1 1 47 47 THR H H 47 7.784 7.784 8.226 -0.442 25460 7743 1 18 . 1 1 48 48 ALA N N 48 122.630 122.630 123.772 -1.142 25460 7744 1 18 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.627 0.031 25460 7745 1 18 . 1 1 48 48 ALA C C 48 175.620 175.620 175.051 0.569 25460 7746 1 18 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.961 -0.360 25460 7747 1 18 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.309 2.101 25460 7748 1 18 . 1 1 48 48 ALA H H 48 8.681 8.681 8.904 -0.223 25460 7749 1 18 . 1 1 49 49 THR N N 49 116.020 116.020 118.791 -2.771 25460 7750 1 18 . 1 1 49 49 THR HA H 49 4.914 4.914 4.803 0.111 25460 7751 1 18 . 1 1 49 49 THR C C 49 174.400 174.400 173.797 0.603 25460 7752 1 18 . 1 1 49 49 THR CA C 49 62.320 62.320 61.612 0.708 25460 7753 1 18 . 1 1 49 49 THR CB C 49 69.260 69.260 69.190 0.070 25460 7754 1 18 . 1 1 49 49 THR H H 49 8.347 8.347 8.365 -0.018 25460 7755 1 18 . 1 1 50 50 ILE N N 50 126.050 126.050 128.769 -2.719 25460 7756 1 18 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.367 0.069 25460 7757 1 18 . 1 1 50 50 ILE C C 50 175.080 175.080 175.657 -0.577 25460 7758 1 18 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.776 0.734 25460 7759 1 18 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.011 1.659 25460 7760 1 18 . 1 1 50 50 ILE H H 50 9.199 9.199 9.071 0.128 25460 7761 1 18 . 1 1 51 51 THR N N 51 120.630 120.630 122.498 -1.868 25460 7762 1 18 . 1 1 51 51 THR HA H 51 5.312 5.312 5.394 -0.082 25460 7763 1 18 . 1 1 51 51 THR C C 51 174.250 174.250 173.391 0.859 25460 7764 1 18 . 1 1 51 51 THR CA C 51 61.030 61.030 61.398 -0.368 25460 7765 1 18 . 1 1 51 51 THR CB C 51 69.850 69.850 69.975 -0.125 25460 7766 1 18 . 1 1 51 51 THR H H 51 8.500 8.500 8.592 -0.092 25460 7767 1 18 . 1 1 52 52 ALA N N 52 127.710 127.710 127.518 0.192 25460 7768 1 18 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.944 -0.233 25460 7769 1 18 . 1 1 52 52 ALA C C 52 176.530 176.530 176.810 -0.280 25460 7770 1 18 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.242 0.738 25460 7771 1 18 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.590 1.130 25460 7772 1 18 . 1 1 52 52 ALA H H 52 9.202 9.202 9.187 0.015 25460 7773 1 18 . 1 1 53 53 ARG N N 53 118.780 118.780 122.288 -3.508 25460 7774 1 18 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.886 -0.030 25460 7775 1 18 . 1 1 53 53 ARG C C 53 177.070 177.070 175.579 1.491 25460 7776 1 18 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.513 0.517 25460 7777 1 18 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.799 -0.759 25460 7778 1 18 . 1 1 53 53 ARG H H 53 9.303 9.303 9.206 0.097 25460 7779 1 18 . 1 1 54 54 GLY N N 54 104.070 104.070 103.033 1.037 25460 7780 1 18 . 1 1 54 54 GLY C C 54 174.110 174.110 173.863 0.247 25460 7781 1 18 . 1 1 54 54 GLY CA C 54 45.360 45.360 44.899 0.461 25460 7782 1 18 . 1 1 54 54 GLY H H 54 8.714 8.714 8.320 0.394 25460 7783 1 18 . 1 1 55 55 HIS N N 55 119.170 119.170 120.902 -1.732 25460 7784 1 18 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.542 0.234 25460 7785 1 18 . 1 1 55 55 HIS C C 55 172.310 172.310 173.763 -1.453 25460 7786 1 18 . 1 1 55 55 HIS CA C 55 54.030 54.030 54.907 -0.877 25460 7787 1 18 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.554 1.546 25460 7788 1 18 . 1 1 55 55 HIS H H 55 8.227 8.227 8.059 0.168 25460 7789 1 18 . 1 1 56 56 GLU N N 56 119.640 119.640 122.693 -3.053 25460 7790 1 18 . 1 1 56 56 GLU HA H 56 5.087 5.087 4.898 0.189 25460 7791 1 18 . 1 1 56 56 GLU C C 56 176.150 176.150 175.594 0.556 25460 7792 1 18 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.636 -0.546 25460 7793 1 18 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.494 1.286 25460 7794 1 18 . 1 1 56 56 GLU H H 56 8.024 8.024 8.682 -0.658 25460 7795 1 18 . 1 1 57 57 PHE N N 57 121.660 121.660 125.204 -3.544 25460 7796 1 18 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.775 -0.001 25460 7797 1 18 . 1 1 57 57 PHE C C 57 173.930 173.930 174.631 -0.701 25460 7798 1 18 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.542 -0.072 25460 7799 1 18 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.850 0.600 25460 7800 1 18 . 1 1 57 57 PHE H H 57 9.219 9.219 9.285 -0.066 25460 7801 1 18 . 1 1 58 58 GLU N N 58 125.630 125.630 126.943 -1.313 25460 7802 1 18 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.995 0.229 25460 7803 1 18 . 1 1 58 58 GLU C C 58 175.820 175.820 175.744 0.076 25460 7804 1 18 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.266 0.194 25460 7805 1 18 . 1 1 58 58 GLU CB C 58 29.950 29.950 30.866 -0.915 25460 7806 1 18 . 1 1 58 58 GLU H H 58 8.597 8.597 8.955 -0.358 25460 7807 1 18 . 1 1 59 59 VAL N N 59 120.690 120.690 122.851 -2.161 25460 7808 1 18 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.450 0.965 25460 7809 1 18 . 1 1 59 59 VAL C C 59 174.790 174.790 173.785 1.005 25460 7810 1 18 . 1 1 59 59 VAL CA C 59 58.550 58.550 60.112 -1.562 25460 7811 1 18 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.441 -0.290 25460 7812 1 18 . 1 1 59 59 VAL H H 59 8.809 8.809 9.049 -0.240 25460 7813 1 18 . 1 1 60 60 GLU N N 60 118.570 118.570 124.906 -6.336 25460 7814 1 18 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.920 -0.303 25460 7815 1 18 . 1 1 60 60 GLU C C 60 176.050 176.050 175.161 0.889 25460 7816 1 18 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.138 0.042 25460 7817 1 18 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.785 -0.735 25460 7818 1 18 . 1 1 60 60 GLU H H 60 8.024 8.024 8.596 -0.572 25460 7819 1 18 . 1 1 61 61 ALA N N 61 132.630 132.630 131.899 0.731 25460 7820 1 18 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.530 0.169 25460 7821 1 18 . 1 1 61 61 ALA C C 61 176.260 176.260 177.333 -1.073 25460 7822 1 18 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.866 -1.346 25460 7823 1 18 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.905 -1.196 25460 7824 1 18 . 1 1 61 61 ALA H H 61 8.230 8.230 8.955 -0.725 25460 7825 1 18 . 1 1 62 62 LYS N N 62 126.080 126.080 124.095 1.985 25460 7826 1 18 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.236 -0.238 25460 7827 1 18 . 1 1 62 62 LYS C C 62 177.030 177.030 176.947 0.083 25460 7828 1 18 . 1 1 62 62 LYS CA C 62 59.590 59.590 58.489 1.101 25460 7829 1 18 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.053 1.487 25460 7830 1 18 . 1 1 62 62 LYS H H 62 9.070 9.070 8.231 0.839 25460 7831 1 18 . 1 1 63 63 ASP N N 63 110.550 110.550 117.079 -6.529 25460 7832 1 18 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.851 -0.465 25460 7833 1 18 . 1 1 63 63 ASP C C 63 175.810 175.810 176.999 -1.189 25460 7834 1 18 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.278 0.872 25460 7835 1 18 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.366 -2.116 25460 7836 1 18 . 1 1 63 63 ASP H H 63 7.507 7.507 7.566 -0.059 25460 7837 1 18 . 1 1 64 64 GLN N N 64 112.740 112.740 120.241 -7.501 25460 7838 1 18 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.088 0.012 25460 7839 1 18 . 1 1 64 64 GLN C C 64 175.950 175.950 176.495 -0.545 25460 7840 1 18 . 1 1 64 64 GLN CA C 64 57.690 57.690 58.019 -0.329 25460 7841 1 18 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.730 -0.890 25460 7842 1 18 . 1 1 64 64 GLN H H 64 8.410 8.410 8.745 -0.335 25460 7843 1 18 . 1 1 65 65 ASN N N 65 117.790 117.790 114.888 2.902 25460 7844 1 18 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.782 -0.203 25460 7845 1 18 . 1 1 65 65 ASN C C 65 177.250 177.250 174.950 2.300 25460 7846 1 18 . 1 1 65 65 ASN CA C 65 55.120 55.120 52.988 2.132 25460 7847 1 18 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.000 -1.090 25460 7848 1 18 . 1 1 65 65 ASN H H 65 8.747 8.747 7.996 0.751 25460 7849 1 18 . 1 1 66 66 CYS N N 66 112.640 112.640 115.421 -2.781 25460 7850 1 18 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.124 0.301 25460 7851 1 18 . 1 1 66 66 CYS C C 66 174.970 174.970 174.291 0.679 25460 7852 1 18 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.185 -4.055 25460 7853 1 18 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.660 11.500 25460 7854 1 18 . 1 1 66 66 CYS H H 66 8.527 8.527 7.832 0.695 25460 7855 1 18 . 1 1 67 67 LYS N N 67 116.240 116.240 121.923 -5.683 25460 7856 1 18 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.161 0.016 25460 7857 1 18 . 1 1 67 67 LYS C C 67 178.480 178.480 175.503 2.977 25460 7858 1 18 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.552 1.308 25460 7859 1 18 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.558 0.562 25460 7860 1 18 . 1 1 67 67 LYS H H 67 8.014 8.014 7.738 0.276 25460 7861 1 18 . 1 1 68 68 VAL N N 68 126.980 126.980 127.304 -0.324 25460 7862 1 18 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.688 -1.013 25460 7863 1 18 . 1 1 68 68 VAL C C 68 174.460 174.460 174.104 0.356 25460 7864 1 18 . 1 1 68 68 VAL CA C 68 64.750 64.750 60.820 3.930 25460 7865 1 18 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.571 -2.411 25460 7866 1 18 . 1 1 68 68 VAL H H 68 8.967 8.967 7.893 1.074 25460 7867 1 18 . 1 1 69 69 ILE N N 69 132.540 132.540 129.938 2.602 25460 7868 1 18 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.599 -0.420 25460 7869 1 18 . 1 1 69 69 ILE C C 69 175.060 175.060 175.234 -0.174 25460 7870 1 18 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.689 0.871 25460 7871 1 18 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.001 1.489 25460 7872 1 18 . 1 1 69 69 ILE H H 69 8.689 8.689 8.187 0.502 25460 7873 1 18 . 1 1 70 70 LEU N N 70 125.290 125.290 128.943 -3.653 25460 7874 1 18 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.761 0.537 25460 7875 1 18 . 1 1 70 70 LEU C C 70 180.800 180.800 179.176 1.624 25460 7876 1 18 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.961 -1.771 25460 7877 1 18 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.958 -1.808 25460 7878 1 18 . 1 1 70 70 LEU H H 70 8.829 8.829 9.305 -0.476 25460 7879 1 18 . 1 1 71 71 THR N N 71 115.510 115.510 115.564 -0.054 25460 7880 1 18 . 1 1 71 71 THR HA H 71 4.094 4.094 4.209 -0.115 25460 7881 1 18 . 1 1 71 71 THR C C 71 176.240 176.240 175.756 0.484 25460 7882 1 18 . 1 1 71 71 THR CA C 71 63.950 63.950 64.742 -0.792 25460 7883 1 18 . 1 1 71 71 THR CB C 71 68.280 68.280 68.695 -0.415 25460 7884 1 18 . 1 1 71 71 THR H H 71 8.546 8.546 8.877 -0.331 25460 7885 1 18 . 1 1 72 72 ASN N N 72 117.010 117.010 118.933 -1.923 25460 7886 1 18 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.672 -0.108 25460 7887 1 18 . 1 1 72 72 ASN C C 72 177.340 177.340 175.886 1.454 25460 7888 1 18 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.645 -0.935 25460 7889 1 18 . 1 1 72 72 ASN CB C 72 37.220 37.220 39.242 -2.022 25460 7890 1 18 . 1 1 72 72 ASN H H 72 8.162 8.162 8.004 0.158 25460 7891 1 18 . 1 1 73 73 GLY N N 73 106.660 106.660 106.006 0.654 25460 7892 1 18 . 1 1 73 73 GLY C C 73 175.020 175.020 173.954 1.066 25460 7893 1 18 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.232 0.468 25460 7894 1 18 . 1 1 73 73 GLY H H 73 7.985 7.985 7.894 0.091 25460 7895 1 18 . 1 1 74 74 LYS N N 74 120.730 120.730 120.075 0.655 25460 7896 1 18 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.501 -0.203 25460 7897 1 18 . 1 1 74 74 LYS C C 74 175.720 175.720 176.492 -0.772 25460 7898 1 18 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.827 0.903 25460 7899 1 18 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.163 -0.673 25460 7900 1 18 . 1 1 74 74 LYS H H 74 7.820 7.820 8.029 -0.209 25460 7901 1 18 . 1 1 75 75 GLN N N 75 119.590 119.590 120.443 -0.853 25460 7902 1 18 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.559 -0.403 25460 7903 1 18 . 1 1 75 75 GLN C C 75 176.490 176.490 174.812 1.678 25460 7904 1 18 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.040 0.540 25460 7905 1 18 . 1 1 75 75 GLN CB C 75 29.020 29.020 29.049 -0.029 25460 7906 1 18 . 1 1 75 75 GLN H H 75 8.273 8.273 8.724 -0.451 25460 7907 1 18 . 1 1 76 76 ALA N N 76 129.340 129.340 121.706 7.634 25460 7908 1 18 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.039 0.127 25460 7909 1 18 . 1 1 76 76 ALA C C 76 174.920 174.920 174.767 0.153 25460 7910 1 18 . 1 1 76 76 ALA CA C 76 50.080 50.080 51.344 -1.264 25460 7911 1 18 . 1 1 76 76 ALA CB C 76 17.880 17.880 18.072 -0.192 25460 7912 1 18 . 1 1 76 76 ALA H H 76 8.698 8.698 7.604 1.094 25460 7913 1 18 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.401 -0.164 25460 7914 1 18 . 1 1 77 77 PRO C C 77 178.170 178.170 176.716 1.454 25460 7915 1 18 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.861 0.309 25460 7916 1 18 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.937 -0.467 25460 7917 1 18 . 1 1 78 78 ASP N N 78 121.040 121.040 120.492 0.548 25460 7918 1 18 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.204 0.013 25460 7919 1 18 . 1 1 78 78 ASP C C 78 176.610 176.610 176.311 0.299 25460 7920 1 18 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.608 -0.108 25460 7921 1 18 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.833 -0.303 25460 7922 1 18 . 1 1 78 78 ASP H H 78 8.607 8.607 8.549 0.058 25460 7923 1 18 . 1 1 79 79 TRP N N 79 114.440 114.440 113.473 0.967 25460 7924 1 18 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.520 -0.028 25460 7925 1 18 . 1 1 79 79 TRP C C 79 175.280 175.280 175.540 -0.260 25460 7926 1 18 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.697 -1.067 25460 7927 1 18 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.168 -0.028 25460 7928 1 18 . 1 1 79 79 TRP H H 79 6.768 6.768 7.533 -0.765 25460 7929 1 18 . 1 1 80 80 LEU N N 80 123.450 123.450 123.384 0.066 25460 7930 1 18 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.571 0.190 25460 7931 1 18 . 1 1 80 80 LEU C C 80 174.270 174.270 175.473 -1.203 25460 7932 1 18 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.760 1.090 25460 7933 1 18 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.678 0.212 25460 7934 1 18 . 1 1 80 80 LEU H H 80 6.577 6.577 6.885 -0.308 25460 7935 1 18 . 1 1 81 81 ALA N N 81 130.910 130.910 130.095 0.815 25460 7936 1 18 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.682 -0.015 25460 7937 1 18 . 1 1 81 81 ALA C C 81 175.210 175.210 175.256 -0.046 25460 7938 1 18 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.630 -0.320 25460 7939 1 18 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.387 0.882 25460 7940 1 18 . 1 1 81 81 ALA H H 81 9.037 9.037 8.967 0.070 25460 7941 1 18 . 1 1 82 82 ALA N N 82 119.120 119.120 125.482 -6.362 25460 7942 1 18 . 1 1 82 82 ALA HA H 82 5.677 5.677 4.684 0.993 25460 7943 1 18 . 1 1 82 82 ALA C C 82 177.280 177.280 176.124 1.156 25460 7944 1 18 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.515 0.495 25460 7945 1 18 . 1 1 82 82 ALA CB C 82 22.240 22.240 20.728 1.512 25460 7946 1 18 . 1 1 82 82 ALA H H 82 8.159 8.159 8.390 -0.231 25460 7947 1 18 . 1 1 83 83 GLU N N 83 116.910 116.910 122.920 -6.010 25460 7948 1 18 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.806 0.132 25460 7949 1 18 . 1 1 83 83 GLU C C 83 172.560 172.560 174.507 -1.947 25460 7950 1 18 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.570 0.440 25460 7951 1 18 . 1 1 83 83 GLU CB C 83 32.470 32.470 32.527 -0.057 25460 7952 1 18 . 1 1 83 83 GLU H H 83 8.614 8.614 8.713 -0.099 25460 7953 1 18 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.596 0.917 25460 7954 1 18 . 1 1 84 84 PRO C C 84 177.340 177.340 175.471 1.869 25460 7955 1 18 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.491 -0.561 25460 7956 1 18 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.270 0.150 25460 7957 1 19 . 1 1 8 8 GLY N N 8 110.720 110.720 110.182 0.538 25460 7958 1 19 . 1 1 8 8 GLY C C 8 174.650 174.650 173.732 0.918 25460 7959 1 19 . 1 1 8 8 GLY CA C 8 45.470 45.470 45.374 0.096 25460 7960 1 19 . 1 1 8 8 GLY H H 8 8.462 8.462 8.326 0.136 25460 7961 1 19 . 1 1 9 9 ARG N N 9 120.430 120.430 121.683 -1.253 25460 7962 1 19 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.527 -0.208 25460 7963 1 19 . 1 1 9 9 ARG C C 9 176.790 176.790 175.120 1.670 25460 7964 1 19 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.758 0.582 25460 7965 1 19 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.327 0.203 25460 7966 1 19 . 1 1 9 9 ARG H H 9 8.206 8.206 8.267 -0.061 25460 7967 1 19 . 1 1 10 10 GLU N N 10 121.220 121.220 121.639 -0.419 25460 7968 1 19 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.506 -0.296 25460 7969 1 19 . 1 1 10 10 GLU C C 10 176.600 176.600 175.788 0.812 25460 7970 1 19 . 1 1 10 10 GLU CA C 10 57.270 57.270 55.900 1.370 25460 7971 1 19 . 1 1 10 10 GLU CB C 10 29.780 29.780 31.282 -1.502 25460 7972 1 19 . 1 1 10 10 GLU H H 10 8.562 8.562 8.557 0.005 25460 7973 1 19 . 1 1 11 11 ASN N N 11 118.900 118.900 119.552 -0.652 25460 7974 1 19 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.879 -0.209 25460 7975 1 19 . 1 1 11 11 ASN C C 11 175.420 175.420 174.096 1.324 25460 7976 1 19 . 1 1 11 11 ASN CA C 11 53.450 53.450 52.688 0.762 25460 7977 1 19 . 1 1 11 11 ASN CB C 11 38.710 38.710 38.872 -0.162 25460 7978 1 19 . 1 1 11 11 ASN H H 11 8.337 8.337 8.613 -0.276 25460 7979 1 19 . 1 1 12 12 LEU N N 12 121.830 121.830 122.233 -0.403 25460 7980 1 19 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.333 -0.141 25460 7981 1 19 . 1 1 12 12 LEU C C 12 177.290 177.290 176.516 0.774 25460 7982 1 19 . 1 1 12 12 LEU CA C 12 55.630 55.630 56.008 -0.378 25460 7983 1 19 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.623 0.637 25460 7984 1 19 . 1 1 12 12 LEU H H 12 7.988 7.988 7.706 0.282 25460 7985 1 19 . 1 1 13 13 TYR N N 13 119.550 119.550 126.303 -6.753 25460 7986 1 19 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.272 0.226 25460 7987 1 19 . 1 1 13 13 TYR C C 13 175.950 175.950 174.092 1.858 25460 7988 1 19 . 1 1 13 13 TYR CA C 13 57.930 57.930 58.296 -0.366 25460 7989 1 19 . 1 1 13 13 TYR CB C 13 38.590 38.590 38.041 0.549 25460 7990 1 19 . 1 1 13 13 TYR H H 13 7.966 7.966 8.542 -0.576 25460 7991 1 19 . 1 1 14 14 PHE N N 14 121.130 121.130 128.772 -7.642 25460 7992 1 19 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.541 -0.017 25460 7993 1 19 . 1 1 14 14 PHE C C 14 175.820 175.820 174.245 1.575 25460 7994 1 19 . 1 1 14 14 PHE CA C 14 57.950 57.950 57.501 0.449 25460 7995 1 19 . 1 1 14 14 PHE CB C 14 39.510 39.510 40.051 -0.541 25460 7996 1 19 . 1 1 14 14 PHE H H 14 8.006 8.006 8.026 -0.020 25460 7997 1 19 . 1 1 15 15 GLN N N 15 121.840 121.840 127.711 -5.871 25460 7998 1 19 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.247 -0.062 25460 7999 1 19 . 1 1 15 15 GLN C C 15 176.420 176.420 174.802 1.618 25460 8000 1 19 . 1 1 15 15 GLN CA C 15 56.180 56.180 54.411 1.769 25460 8001 1 19 . 1 1 15 15 GLN CB C 15 29.110 29.110 28.428 0.682 25460 8002 1 19 . 1 1 15 15 GLN H H 15 8.217 8.217 8.081 0.136 25460 8003 1 19 . 1 1 16 16 GLY N N 16 108.430 108.430 110.713 -2.283 25460 8004 1 19 . 1 1 16 16 GLY C C 16 174.140 174.140 174.019 0.121 25460 8005 1 19 . 1 1 16 16 GLY CA C 16 45.310 45.310 44.761 0.549 25460 8006 1 19 . 1 1 16 16 GLY H H 16 7.907 7.907 7.739 0.168 25460 8007 1 19 . 1 1 17 17 HIS N N 17 117.990 117.990 119.290 -1.300 25460 8008 1 19 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.639 -0.762 25460 8009 1 19 . 1 1 17 17 HIS C C 17 174.610 174.610 173.631 0.979 25460 8010 1 19 . 1 1 17 17 HIS CA C 17 55.430 55.430 54.708 0.722 25460 8011 1 19 . 1 1 17 17 HIS CB C 17 29.280 29.280 30.782 -1.502 25460 8012 1 19 . 1 1 17 17 HIS H H 17 8.250 8.250 7.748 0.502 25460 8013 1 19 . 1 1 18 18 MET N N 18 121.430 121.430 125.021 -3.591 25460 8014 1 19 . 1 1 18 18 MET HA H 18 4.395 4.395 4.209 0.186 25460 8015 1 19 . 1 1 18 18 MET C C 18 175.750 175.750 176.015 -0.265 25460 8016 1 19 . 1 1 18 18 MET CA C 18 55.660 55.660 55.897 -0.237 25460 8017 1 19 . 1 1 18 18 MET CB C 18 32.740 32.740 32.521 0.219 25460 8018 1 19 . 1 1 18 18 MET H H 18 8.320 8.320 8.532 -0.212 25460 8019 1 19 . 1 1 19 19 ALA N N 19 125.550 125.550 126.895 -1.345 25460 8020 1 19 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.314 -0.042 25460 8021 1 19 . 1 1 19 19 ALA C C 19 176.950 176.950 176.112 0.838 25460 8022 1 19 . 1 1 19 19 ALA CA C 19 52.260 52.260 53.251 -0.991 25460 8023 1 19 . 1 1 19 19 ALA CB C 19 19.130 19.130 19.138 -0.008 25460 8024 1 19 . 1 1 19 19 ALA H H 19 8.262 8.262 8.598 -0.336 25460 8025 1 19 . 1 1 20 20 ALA N N 20 124.430 124.430 121.423 3.007 25460 8026 1 19 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.489 0.047 25460 8027 1 19 . 1 1 20 20 ALA C C 20 175.390 175.390 174.529 0.861 25460 8028 1 19 . 1 1 20 20 ALA CA C 20 50.100 50.100 50.414 -0.314 25460 8029 1 19 . 1 1 20 20 ALA CB C 20 18.420 18.420 19.487 -1.067 25460 8030 1 19 . 1 1 20 20 ALA H H 20 8.083 8.083 7.579 0.504 25460 8031 1 19 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.547 -0.097 25460 8032 1 19 . 1 1 21 21 PRO C C 21 175.770 175.770 175.993 -0.223 25460 8033 1 19 . 1 1 21 21 PRO CA C 21 55.520 55.520 61.822 -6.302 25460 8034 1 19 . 1 1 21 21 PRO CB C 21 32.960 32.960 33.633 -0.673 25460 8035 1 19 . 1 1 22 22 ALA N N 22 124.420 124.420 122.265 2.155 25460 8036 1 19 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.275 0.058 25460 8037 1 19 . 1 1 22 22 ALA C C 22 176.920 176.920 176.979 -0.059 25460 8038 1 19 . 1 1 22 22 ALA CA C 22 52.350 52.350 52.431 -0.081 25460 8039 1 19 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.318 -0.128 25460 8040 1 19 . 1 1 22 22 ALA H H 22 8.235 8.235 8.084 0.151 25460 8041 1 19 . 1 1 23 23 ARG N N 23 120.140 120.140 122.677 -2.537 25460 8042 1 19 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.311 0.032 25460 8043 1 19 . 1 1 23 23 ARG C C 23 176.220 176.220 175.608 0.612 25460 8044 1 19 . 1 1 23 23 ARG CA C 23 57.000 57.000 57.756 -0.756 25460 8045 1 19 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.607 1.883 25460 8046 1 19 . 1 1 23 23 ARG H H 23 9.271 9.271 8.587 0.684 25460 8047 1 19 . 1 1 24 24 PHE N N 24 119.130 119.130 115.189 3.941 25460 8048 1 19 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.445 -0.063 25460 8049 1 19 . 1 1 24 24 PHE C C 24 175.910 175.910 174.396 1.514 25460 8050 1 19 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.785 0.064 25460 8051 1 19 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.773 -0.213 25460 8052 1 19 . 1 1 24 24 PHE H H 24 9.270 9.270 7.588 1.682 25460 8053 1 19 . 1 1 25 25 CYS N N 25 116.300 116.300 118.693 -2.393 25460 8054 1 19 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.430 -0.111 25460 8055 1 19 . 1 1 25 25 CYS C C 25 172.990 172.990 173.042 -0.052 25460 8056 1 19 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.391 -3.191 25460 8057 1 19 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.652 9.088 25460 8058 1 19 . 1 1 25 25 CYS H H 25 9.254 9.254 9.388 -0.134 25460 8059 1 19 . 1 1 26 26 VAL N N 26 126.290 126.290 127.462 -1.172 25460 8060 1 19 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.302 0.080 25460 8061 1 19 . 1 1 26 26 VAL C C 26 174.520 174.520 174.600 -0.080 25460 8062 1 19 . 1 1 26 26 VAL CA C 26 60.740 60.740 61.257 -0.517 25460 8063 1 19 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.119 0.261 25460 8064 1 19 . 1 1 26 26 VAL H H 26 9.512 9.512 9.031 0.481 25460 8065 1 19 . 1 1 27 27 TYR N N 27 123.620 123.620 127.163 -3.543 25460 8066 1 19 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.572 -0.428 25460 8067 1 19 . 1 1 27 27 TYR C C 27 175.400 175.400 175.271 0.129 25460 8068 1 19 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.922 1.177 25460 8069 1 19 . 1 1 27 27 TYR CB C 27 40.860 40.860 41.076 -0.216 25460 8070 1 19 . 1 1 27 27 TYR H H 27 8.240 8.240 8.833 -0.593 25460 8071 1 19 . 1 1 28 28 TYR N N 28 119.740 119.740 119.224 0.516 25460 8072 1 19 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.317 -0.044 25460 8073 1 19 . 1 1 28 28 TYR C C 28 174.590 174.590 174.926 -0.336 25460 8074 1 19 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.274 0.626 25460 8075 1 19 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.595 1.495 25460 8076 1 19 . 1 1 28 28 TYR H H 28 9.448 9.448 9.205 0.243 25460 8077 1 19 . 1 1 29 29 ASP N N 29 118.650 118.650 122.981 -4.331 25460 8078 1 19 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.015 0.240 25460 8079 1 19 . 1 1 29 29 ASP C C 29 177.670 177.670 175.960 1.710 25460 8080 1 19 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.614 -1.814 25460 8081 1 19 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.895 -0.546 25460 8082 1 19 . 1 1 29 29 ASP H H 29 8.995 8.995 9.081 -0.086 25460 8083 1 19 . 1 1 30 30 GLY N N 30 114.740 114.740 115.764 -1.024 25460 8084 1 19 . 1 1 30 30 GLY C C 30 173.320 173.320 172.395 0.925 25460 8085 1 19 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.139 -1.028 25460 8086 1 19 . 1 1 30 30 GLY H H 30 9.046 9.046 9.114 -0.068 25460 8087 1 19 . 1 1 31 31 HIS N N 31 113.880 113.880 116.270 -2.390 25460 8088 1 19 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.646 -0.153 25460 8089 1 19 . 1 1 31 31 HIS C C 31 175.230 175.230 174.455 0.775 25460 8090 1 19 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.566 0.415 25460 8091 1 19 . 1 1 31 31 HIS CB C 31 30.630 30.630 29.977 0.653 25460 8092 1 19 . 1 1 31 31 HIS H H 31 8.306 8.306 8.499 -0.193 25460 8093 1 19 . 1 1 32 32 LEU N N 32 124.060 124.060 123.497 0.563 25460 8094 1 19 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.568 0.256 25460 8095 1 19 . 1 1 32 32 LEU C C 32 176.030 176.030 175.909 0.121 25460 8096 1 19 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.942 1.138 25460 8097 1 19 . 1 1 32 32 LEU CB C 32 41.540 41.540 42.869 -1.329 25460 8098 1 19 . 1 1 32 32 LEU H H 32 8.477 8.477 7.470 1.007 25460 8099 1 19 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.037 -0.284 25460 8100 1 19 . 1 1 33 33 PRO C C 33 177.880 177.880 178.027 -0.147 25460 8101 1 19 . 1 1 33 33 PRO CA C 33 65.500 65.500 65.133 0.367 25460 8102 1 19 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.782 -0.012 25460 8103 1 19 . 1 1 34 34 ALA N N 34 115.220 115.220 121.161 -5.941 25460 8104 1 19 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.180 0.013 25460 8105 1 19 . 1 1 34 34 ALA C C 34 179.120 179.120 178.524 0.596 25460 8106 1 19 . 1 1 34 34 ALA CA C 34 54.610 54.610 54.024 0.586 25460 8107 1 19 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.440 0.990 25460 8108 1 19 . 1 1 34 34 ALA H H 34 8.193 8.193 7.730 0.463 25460 8109 1 19 . 1 1 35 35 THR N N 35 102.120 102.120 109.635 -7.515 25460 8110 1 19 . 1 1 35 35 THR HA H 35 4.597 4.597 4.262 0.335 25460 8111 1 19 . 1 1 35 35 THR C C 35 175.610 175.610 175.106 0.504 25460 8112 1 19 . 1 1 35 35 THR CA C 35 60.400 60.400 61.685 -1.285 25460 8113 1 19 . 1 1 35 35 THR CB C 35 70.550 70.550 68.676 1.874 25460 8114 1 19 . 1 1 35 35 THR H H 35 7.187 7.187 7.685 -0.498 25460 8115 1 19 . 1 1 36 36 ARG N N 36 122.520 122.520 121.504 1.016 25460 8116 1 19 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.570 0.193 25460 8117 1 19 . 1 1 36 36 ARG C C 36 175.220 175.220 175.816 -0.596 25460 8118 1 19 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.929 0.161 25460 8119 1 19 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.880 -1.000 25460 8120 1 19 . 1 1 36 36 ARG H H 36 7.918 7.918 7.506 0.412 25460 8121 1 19 . 1 1 37 37 VAL N N 37 122.110 122.110 123.630 -1.520 25460 8122 1 19 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.374 -0.033 25460 8123 1 19 . 1 1 37 37 VAL C C 37 175.690 175.690 175.445 0.245 25460 8124 1 19 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.899 0.431 25460 8125 1 19 . 1 1 37 37 VAL CB C 37 35.050 35.050 34.116 0.934 25460 8126 1 19 . 1 1 37 37 VAL H H 37 8.603 8.603 8.903 -0.300 25460 8127 1 19 . 1 1 38 38 LEU N N 38 130.470 130.470 129.789 0.681 25460 8128 1 19 . 1 1 38 38 LEU HA H 38 3.769 3.769 3.948 -0.179 25460 8129 1 19 . 1 1 38 38 LEU C C 38 176.510 176.510 175.931 0.579 25460 8130 1 19 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.396 0.974 25460 8131 1 19 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.513 0.307 25460 8132 1 19 . 1 1 38 38 LEU H H 38 8.708 8.708 8.836 -0.128 25460 8133 1 19 . 1 1 39 39 LEU N N 39 126.440 126.440 129.122 -2.682 25460 8134 1 19 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.374 0.253 25460 8135 1 19 . 1 1 39 39 LEU C C 39 176.800 176.800 177.267 -0.467 25460 8136 1 19 . 1 1 39 39 LEU CA C 39 55.730 55.730 55.942 -0.212 25460 8137 1 19 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.964 -0.634 25460 8138 1 19 . 1 1 39 39 LEU H H 39 9.254 9.254 9.000 0.254 25460 8139 1 19 . 1 1 40 40 MET N N 40 114.550 114.550 111.513 3.037 25460 8140 1 19 . 1 1 40 40 MET HA H 40 4.471 4.471 4.681 -0.210 25460 8141 1 19 . 1 1 40 40 MET C C 40 173.750 173.750 173.638 0.112 25460 8142 1 19 . 1 1 40 40 MET CA C 40 56.040 56.040 54.833 1.207 25460 8143 1 19 . 1 1 40 40 MET CB C 40 36.880 36.880 35.063 1.817 25460 8144 1 19 . 1 1 40 40 MET H H 40 7.054 7.054 7.525 -0.471 25460 8145 1 19 . 1 1 41 41 TYR N N 41 123.270 123.270 119.408 3.862 25460 8146 1 19 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.518 -0.705 25460 8147 1 19 . 1 1 41 41 TYR C C 41 175.680 175.680 176.270 -0.590 25460 8148 1 19 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.356 0.584 25460 8149 1 19 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.056 0.404 25460 8150 1 19 . 1 1 41 41 TYR H H 41 8.563 8.563 8.479 0.084 25460 8151 1 19 . 1 1 42 42 VAL N N 42 123.930 123.930 123.669 0.261 25460 8152 1 19 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.499 -0.090 25460 8153 1 19 . 1 1 42 42 VAL C C 42 175.600 175.600 175.149 0.451 25460 8154 1 19 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.847 0.632 25460 8155 1 19 . 1 1 42 42 VAL CB C 42 35.310 35.310 34.925 0.385 25460 8156 1 19 . 1 1 42 42 VAL H H 42 9.442 9.442 9.334 0.108 25460 8157 1 19 . 1 1 43 43 ARG N N 43 129.290 129.290 127.498 1.792 25460 8158 1 19 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.250 -0.326 25460 8159 1 19 . 1 1 43 43 ARG C C 43 177.010 177.010 176.073 0.937 25460 8160 1 19 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.716 1.044 25460 8161 1 19 . 1 1 43 43 ARG CB C 43 29.980 29.980 31.100 -1.120 25460 8162 1 19 . 1 1 43 43 ARG H H 43 8.940 8.940 8.818 0.122 25460 8163 1 19 . 1 1 44 44 ILE N N 44 128.260 128.260 125.827 2.433 25460 8164 1 19 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.896 -0.210 25460 8165 1 19 . 1 1 44 44 ILE C C 44 177.020 177.020 176.148 0.872 25460 8166 1 19 . 1 1 44 44 ILE CA C 44 64.930 64.930 61.697 3.233 25460 8167 1 19 . 1 1 44 44 ILE CB C 44 37.240 37.240 35.800 1.440 25460 8168 1 19 . 1 1 44 44 ILE H H 44 8.345 8.345 8.071 0.274 25460 8169 1 19 . 1 1 45 45 GLY N N 45 115.530 115.530 116.396 -0.866 25460 8170 1 19 . 1 1 45 45 GLY C C 45 174.860 174.860 173.758 1.102 25460 8171 1 19 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.754 -0.514 25460 8172 1 19 . 1 1 45 45 GLY H H 45 9.423 9.423 8.874 0.549 25460 8173 1 19 . 1 1 46 46 THR N N 46 111.410 111.410 115.125 -3.715 25460 8174 1 19 . 1 1 46 46 THR HA H 46 4.974 4.974 4.694 0.280 25460 8175 1 19 . 1 1 46 46 THR C C 46 172.310 172.310 172.599 -0.289 25460 8176 1 19 . 1 1 46 46 THR CA C 46 60.280 60.280 60.531 -0.251 25460 8177 1 19 . 1 1 46 46 THR CB C 46 72.160 72.160 71.100 1.060 25460 8178 1 19 . 1 1 46 46 THR H H 46 7.925 7.925 7.894 0.031 25460 8179 1 19 . 1 1 47 47 THR N N 47 109.430 109.430 112.910 -3.480 25460 8180 1 19 . 1 1 47 47 THR HA H 47 5.383 5.383 5.456 -0.073 25460 8181 1 19 . 1 1 47 47 THR C C 47 174.560 174.560 173.677 0.883 25460 8182 1 19 . 1 1 47 47 THR CA C 47 59.240 59.240 59.517 -0.277 25460 8183 1 19 . 1 1 47 47 THR CB C 47 71.840 71.840 71.172 0.668 25460 8184 1 19 . 1 1 47 47 THR H H 47 7.784 7.784 8.228 -0.444 25460 8185 1 19 . 1 1 48 48 ALA N N 48 122.630 122.630 124.086 -1.456 25460 8186 1 19 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.672 -0.014 25460 8187 1 19 . 1 1 48 48 ALA C C 48 175.620 175.620 175.158 0.462 25460 8188 1 19 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.827 -0.227 25460 8189 1 19 . 1 1 48 48 ALA CB C 48 24.410 24.410 21.920 2.490 25460 8190 1 19 . 1 1 48 48 ALA H H 48 8.681 8.681 8.813 -0.132 25460 8191 1 19 . 1 1 49 49 THR N N 49 116.020 116.020 117.864 -1.844 25460 8192 1 19 . 1 1 49 49 THR HA H 49 4.914 4.914 4.678 0.236 25460 8193 1 19 . 1 1 49 49 THR C C 49 174.400 174.400 173.671 0.729 25460 8194 1 19 . 1 1 49 49 THR CA C 49 62.320 62.320 61.988 0.332 25460 8195 1 19 . 1 1 49 49 THR CB C 49 69.260 69.260 68.810 0.450 25460 8196 1 19 . 1 1 49 49 THR H H 49 8.347 8.347 8.452 -0.105 25460 8197 1 19 . 1 1 50 50 ILE N N 50 126.050 126.050 128.583 -2.533 25460 8198 1 19 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.347 0.089 25460 8199 1 19 . 1 1 50 50 ILE C C 50 175.080 175.080 175.399 -0.319 25460 8200 1 19 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.997 0.513 25460 8201 1 19 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.395 1.275 25460 8202 1 19 . 1 1 50 50 ILE H H 50 9.199 9.199 9.069 0.130 25460 8203 1 19 . 1 1 51 51 THR N N 51 120.630 120.630 122.426 -1.796 25460 8204 1 19 . 1 1 51 51 THR HA H 51 5.312 5.312 5.390 -0.078 25460 8205 1 19 . 1 1 51 51 THR C C 51 174.250 174.250 173.157 1.093 25460 8206 1 19 . 1 1 51 51 THR CA C 51 61.030 61.030 61.159 -0.129 25460 8207 1 19 . 1 1 51 51 THR CB C 51 69.850 69.850 70.251 -0.401 25460 8208 1 19 . 1 1 51 51 THR H H 51 8.500 8.500 8.643 -0.143 25460 8209 1 19 . 1 1 52 52 ALA N N 52 127.710 127.710 127.316 0.394 25460 8210 1 19 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.896 -0.185 25460 8211 1 19 . 1 1 52 52 ALA C C 52 176.530 176.530 177.033 -0.503 25460 8212 1 19 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.345 0.635 25460 8213 1 19 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.716 1.004 25460 8214 1 19 . 1 1 52 52 ALA H H 52 9.202 9.202 9.119 0.083 25460 8215 1 19 . 1 1 53 53 ARG N N 53 118.780 118.780 122.251 -3.471 25460 8216 1 19 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.968 -0.112 25460 8217 1 19 . 1 1 53 53 ARG C C 53 177.070 177.070 175.803 1.267 25460 8218 1 19 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.703 0.327 25460 8219 1 19 . 1 1 53 53 ARG CB C 53 27.040 27.040 28.232 -1.192 25460 8220 1 19 . 1 1 53 53 ARG H H 53 9.303 9.303 9.218 0.085 25460 8221 1 19 . 1 1 54 54 GLY N N 54 104.070 104.070 102.966 1.104 25460 8222 1 19 . 1 1 54 54 GLY C C 54 174.110 174.110 174.024 0.086 25460 8223 1 19 . 1 1 54 54 GLY CA C 54 45.360 45.360 44.995 0.365 25460 8224 1 19 . 1 1 54 54 GLY H H 54 8.714 8.714 8.361 0.353 25460 8225 1 19 . 1 1 55 55 HIS N N 55 119.170 119.170 121.243 -2.073 25460 8226 1 19 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.445 0.331 25460 8227 1 19 . 1 1 55 55 HIS C C 55 172.310 172.310 173.723 -1.413 25460 8228 1 19 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.895 -1.865 25460 8229 1 19 . 1 1 55 55 HIS CB C 55 32.100 32.100 30.520 1.580 25460 8230 1 19 . 1 1 55 55 HIS H H 55 8.227 8.227 8.189 0.038 25460 8231 1 19 . 1 1 56 56 GLU N N 56 119.640 119.640 123.285 -3.645 25460 8232 1 19 . 1 1 56 56 GLU HA H 56 5.087 5.087 4.953 0.134 25460 8233 1 19 . 1 1 56 56 GLU C C 56 176.150 176.150 175.543 0.607 25460 8234 1 19 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.139 -0.049 25460 8235 1 19 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.663 1.117 25460 8236 1 19 . 1 1 56 56 GLU H H 56 8.024 8.024 8.575 -0.551 25460 8237 1 19 . 1 1 57 57 PHE N N 57 121.660 121.660 125.096 -3.436 25460 8238 1 19 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.760 0.014 25460 8239 1 19 . 1 1 57 57 PHE C C 57 173.930 173.930 174.726 -0.796 25460 8240 1 19 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.449 0.021 25460 8241 1 19 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.264 1.186 25460 8242 1 19 . 1 1 57 57 PHE H H 57 9.219 9.219 9.160 0.059 25460 8243 1 19 . 1 1 58 58 GLU N N 58 125.630 125.630 126.874 -1.244 25460 8244 1 19 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.833 0.391 25460 8245 1 19 . 1 1 58 58 GLU C C 58 175.820 175.820 175.976 -0.156 25460 8246 1 19 . 1 1 58 58 GLU CA C 58 55.460 55.460 54.906 0.554 25460 8247 1 19 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.910 0.040 25460 8248 1 19 . 1 1 58 58 GLU H H 58 8.597 8.597 9.007 -0.410 25460 8249 1 19 . 1 1 59 59 VAL N N 59 120.690 120.690 122.522 -1.832 25460 8250 1 19 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.460 0.955 25460 8251 1 19 . 1 1 59 59 VAL C C 59 174.790 174.790 174.385 0.405 25460 8252 1 19 . 1 1 59 59 VAL CA C 59 58.550 58.550 60.300 -1.750 25460 8253 1 19 . 1 1 59 59 VAL CB C 59 34.150 34.150 32.736 1.414 25460 8254 1 19 . 1 1 59 59 VAL H H 59 8.809 8.809 9.002 -0.193 25460 8255 1 19 . 1 1 60 60 GLU N N 60 118.570 118.570 126.567 -7.997 25460 8256 1 19 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.597 0.020 25460 8257 1 19 . 1 1 60 60 GLU C C 60 176.050 176.050 175.296 0.754 25460 8258 1 19 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.358 -0.178 25460 8259 1 19 . 1 1 60 60 GLU CB C 60 32.050 32.050 31.515 0.535 25460 8260 1 19 . 1 1 60 60 GLU H H 60 8.024 8.024 9.050 -1.026 25460 8261 1 19 . 1 1 61 61 ALA N N 61 132.630 132.630 132.257 0.373 25460 8262 1 19 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.565 0.134 25460 8263 1 19 . 1 1 61 61 ALA C C 61 176.260 176.260 176.865 -0.605 25460 8264 1 19 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.420 -0.900 25460 8265 1 19 . 1 1 61 61 ALA CB C 61 17.710 17.710 19.070 -1.359 25460 8266 1 19 . 1 1 61 61 ALA H H 61 8.230 8.230 8.928 -0.698 25460 8267 1 19 . 1 1 62 62 LYS N N 62 126.080 126.080 124.428 1.652 25460 8268 1 19 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.223 -0.225 25460 8269 1 19 . 1 1 62 62 LYS C C 62 177.030 177.030 176.600 0.430 25460 8270 1 19 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.884 1.706 25460 8271 1 19 . 1 1 62 62 LYS CB C 62 34.540 34.540 32.818 1.722 25460 8272 1 19 . 1 1 62 62 LYS H H 62 9.070 9.070 8.061 1.009 25460 8273 1 19 . 1 1 63 63 ASP N N 63 110.550 110.550 119.203 -8.653 25460 8274 1 19 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.793 -0.407 25460 8275 1 19 . 1 1 63 63 ASP C C 63 175.810 175.810 176.195 -0.385 25460 8276 1 19 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.937 0.213 25460 8277 1 19 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.196 -1.946 25460 8278 1 19 . 1 1 63 63 ASP H H 63 7.507 7.507 8.092 -0.585 25460 8279 1 19 . 1 1 64 64 GLN N N 64 112.740 112.740 122.630 -9.890 25460 8280 1 19 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.193 -0.093 25460 8281 1 19 . 1 1 64 64 GLN C C 64 175.950 175.950 175.380 0.570 25460 8282 1 19 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.209 0.481 25460 8283 1 19 . 1 1 64 64 GLN CB C 64 27.840 27.840 27.856 -0.016 25460 8284 1 19 . 1 1 64 64 GLN H H 64 8.410 8.410 8.815 -0.405 25460 8285 1 19 . 1 1 65 65 ASN N N 65 117.790 117.790 117.742 0.048 25460 8286 1 19 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.854 -0.275 25460 8287 1 19 . 1 1 65 65 ASN C C 65 177.250 177.250 174.658 2.592 25460 8288 1 19 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.514 1.606 25460 8289 1 19 . 1 1 65 65 ASN CB C 65 37.910 37.910 40.049 -2.139 25460 8290 1 19 . 1 1 65 65 ASN H H 65 8.747 8.747 8.312 0.435 25460 8291 1 19 . 1 1 66 66 CYS N N 66 112.640 112.640 116.623 -3.983 25460 8292 1 19 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.121 0.304 25460 8293 1 19 . 1 1 66 66 CYS C C 66 174.970 174.970 174.048 0.922 25460 8294 1 19 . 1 1 66 66 CYS CA C 66 55.130 55.130 59.255 -4.125 25460 8295 1 19 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.587 11.573 25460 8296 1 19 . 1 1 66 66 CYS H H 66 8.527 8.527 7.981 0.546 25460 8297 1 19 . 1 1 67 67 LYS N N 67 116.240 116.240 121.279 -5.039 25460 8298 1 19 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.164 0.013 25460 8299 1 19 . 1 1 67 67 LYS C C 67 178.480 178.480 175.934 2.546 25460 8300 1 19 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.675 1.185 25460 8301 1 19 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.998 0.122 25460 8302 1 19 . 1 1 67 67 LYS H H 67 8.014 8.014 7.813 0.201 25460 8303 1 19 . 1 1 68 68 VAL N N 68 126.980 126.980 127.679 -0.699 25460 8304 1 19 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.085 -0.410 25460 8305 1 19 . 1 1 68 68 VAL C C 68 174.460 174.460 174.418 0.042 25460 8306 1 19 . 1 1 68 68 VAL CA C 68 64.750 64.750 62.272 2.478 25460 8307 1 19 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.386 -2.226 25460 8308 1 19 . 1 1 68 68 VAL H H 68 8.967 8.967 7.993 0.974 25460 8309 1 19 . 1 1 69 69 ILE N N 69 132.540 132.540 128.727 3.813 25460 8310 1 19 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.564 -0.385 25460 8311 1 19 . 1 1 69 69 ILE C C 69 175.060 175.060 174.464 0.596 25460 8312 1 19 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.818 0.742 25460 8313 1 19 . 1 1 69 69 ILE CB C 69 41.490 41.490 41.303 0.187 25460 8314 1 19 . 1 1 69 69 ILE H H 69 8.689 8.689 7.821 0.868 25460 8315 1 19 . 1 1 70 70 LEU N N 70 125.290 125.290 126.331 -1.041 25460 8316 1 19 . 1 1 70 70 LEU HA H 70 5.298 5.298 5.005 0.293 25460 8317 1 19 . 1 1 70 70 LEU C C 70 180.800 180.800 178.853 1.947 25460 8318 1 19 . 1 1 70 70 LEU CA C 70 53.190 53.190 53.523 -0.333 25460 8319 1 19 . 1 1 70 70 LEU CB C 70 41.150 41.150 44.337 -3.188 25460 8320 1 19 . 1 1 70 70 LEU H H 70 8.829 8.829 9.096 -0.267 25460 8321 1 19 . 1 1 71 71 THR N N 71 115.510 115.510 114.508 1.002 25460 8322 1 19 . 1 1 71 71 THR HA H 71 4.094 4.094 4.201 -0.107 25460 8323 1 19 . 1 1 71 71 THR C C 71 176.240 176.240 175.410 0.830 25460 8324 1 19 . 1 1 71 71 THR CA C 71 63.950 63.950 65.050 -1.100 25460 8325 1 19 . 1 1 71 71 THR CB C 71 68.280 68.280 68.624 -0.344 25460 8326 1 19 . 1 1 71 71 THR H H 71 8.546 8.546 8.615 -0.069 25460 8327 1 19 . 1 1 72 72 ASN N N 72 117.010 117.010 118.270 -1.260 25460 8328 1 19 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.713 -0.149 25460 8329 1 19 . 1 1 72 72 ASN C C 72 177.340 177.340 176.131 1.209 25460 8330 1 19 . 1 1 72 72 ASN CA C 72 52.710 52.710 52.806 -0.096 25460 8331 1 19 . 1 1 72 72 ASN CB C 72 37.220 37.220 37.908 -0.688 25460 8332 1 19 . 1 1 72 72 ASN H H 72 8.162 8.162 8.027 0.135 25460 8333 1 19 . 1 1 73 73 GLY N N 73 106.660 106.660 107.997 -1.337 25460 8334 1 19 . 1 1 73 73 GLY C C 73 175.020 175.020 174.046 0.974 25460 8335 1 19 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.197 0.503 25460 8336 1 19 . 1 1 73 73 GLY H H 73 7.985 7.985 7.939 0.046 25460 8337 1 19 . 1 1 74 74 LYS N N 74 120.730 120.730 120.658 0.072 25460 8338 1 19 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.624 -0.326 25460 8339 1 19 . 1 1 74 74 LYS C C 74 175.720 175.720 176.444 -0.724 25460 8340 1 19 . 1 1 74 74 LYS CA C 74 55.730 55.730 53.972 1.758 25460 8341 1 19 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.710 -1.220 25460 8342 1 19 . 1 1 74 74 LYS H H 74 7.820 7.820 8.313 -0.493 25460 8343 1 19 . 1 1 75 75 GLN N N 75 119.590 119.590 120.689 -1.099 25460 8344 1 19 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.518 -0.362 25460 8345 1 19 . 1 1 75 75 GLN C C 75 176.490 176.490 175.079 1.411 25460 8346 1 19 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.301 0.279 25460 8347 1 19 . 1 1 75 75 GLN CB C 75 29.020 29.020 28.460 0.559 25460 8348 1 19 . 1 1 75 75 GLN H H 75 8.273 8.273 8.657 -0.384 25460 8349 1 19 . 1 1 76 76 ALA N N 76 129.340 129.340 121.040 8.300 25460 8350 1 19 . 1 1 76 76 ALA HA H 76 4.166 4.166 3.966 0.200 25460 8351 1 19 . 1 1 76 76 ALA C C 76 174.920 174.920 174.657 0.263 25460 8352 1 19 . 1 1 76 76 ALA CA C 76 50.080 50.080 51.854 -1.774 25460 8353 1 19 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.639 0.241 25460 8354 1 19 . 1 1 76 76 ALA H H 76 8.698 8.698 7.882 0.816 25460 8355 1 19 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.282 -0.045 25460 8356 1 19 . 1 1 77 77 PRO C C 77 178.170 178.170 177.201 0.969 25460 8357 1 19 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.817 0.353 25460 8358 1 19 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.260 0.210 25460 8359 1 19 . 1 1 78 78 ASP N N 78 121.040 121.040 119.610 1.430 25460 8360 1 19 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.214 0.003 25460 8361 1 19 . 1 1 78 78 ASP C C 78 176.610 176.610 175.812 0.798 25460 8362 1 19 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.217 0.283 25460 8363 1 19 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.502 0.028 25460 8364 1 19 . 1 1 78 78 ASP H H 78 8.607 8.607 8.547 0.060 25460 8365 1 19 . 1 1 79 79 TRP N N 79 114.440 114.440 115.086 -0.646 25460 8366 1 19 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.758 -0.266 25460 8367 1 19 . 1 1 79 79 TRP C C 79 175.280 175.280 174.909 0.371 25460 8368 1 19 . 1 1 79 79 TRP CA C 79 54.630 54.630 54.893 -0.263 25460 8369 1 19 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.292 -0.152 25460 8370 1 19 . 1 1 79 79 TRP H H 79 6.768 6.768 7.170 -0.402 25460 8371 1 19 . 1 1 80 80 LEU N N 80 123.450 123.450 124.049 -0.599 25460 8372 1 19 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.867 -0.106 25460 8373 1 19 . 1 1 80 80 LEU C C 80 174.270 174.270 175.453 -1.183 25460 8374 1 19 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.658 1.192 25460 8375 1 19 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.932 -0.042 25460 8376 1 19 . 1 1 80 80 LEU H H 80 6.577 6.577 7.038 -0.461 25460 8377 1 19 . 1 1 81 81 ALA N N 81 130.910 130.910 129.884 1.026 25460 8378 1 19 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.667 -0.000 25460 8379 1 19 . 1 1 81 81 ALA C C 81 175.210 175.210 175.281 -0.071 25460 8380 1 19 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.590 -0.280 25460 8381 1 19 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.351 0.919 25460 8382 1 19 . 1 1 81 81 ALA H H 81 9.037 9.037 8.812 0.225 25460 8383 1 19 . 1 1 82 82 ALA N N 82 119.120 119.120 124.023 -4.903 25460 8384 1 19 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.195 0.482 25460 8385 1 19 . 1 1 82 82 ALA C C 82 177.280 177.280 176.022 1.258 25460 8386 1 19 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.740 0.270 25460 8387 1 19 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.248 0.991 25460 8388 1 19 . 1 1 82 82 ALA H H 82 8.159 8.159 8.277 -0.118 25460 8389 1 19 . 1 1 83 83 GLU N N 83 116.910 116.910 122.009 -5.099 25460 8390 1 19 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.857 0.081 25460 8391 1 19 . 1 1 83 83 GLU C C 83 172.560 172.560 174.515 -1.955 25460 8392 1 19 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.546 0.464 25460 8393 1 19 . 1 1 83 83 GLU CB C 83 32.470 32.470 32.751 -0.281 25460 8394 1 19 . 1 1 83 83 GLU H H 83 8.614 8.614 8.458 0.156 25460 8395 1 19 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.556 0.957 25460 8396 1 19 . 1 1 84 84 PRO C C 84 177.340 177.340 175.783 1.557 25460 8397 1 19 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.514 -0.584 25460 8398 1 19 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.027 0.393 25460 8399 1 20 . 1 1 8 8 GLY N N 8 110.720 110.720 109.386 1.334 25460 8400 1 20 . 1 1 8 8 GLY C C 8 174.650 174.650 172.832 1.818 25460 8401 1 20 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.484 0.986 25460 8402 1 20 . 1 1 8 8 GLY H H 8 8.462 8.462 8.424 0.038 25460 8403 1 20 . 1 1 9 9 ARG N N 9 120.430 120.430 121.252 -0.822 25460 8404 1 20 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.498 -0.180 25460 8405 1 20 . 1 1 9 9 ARG C C 9 176.790 176.790 175.183 1.607 25460 8406 1 20 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.787 0.553 25460 8407 1 20 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.734 -0.204 25460 8408 1 20 . 1 1 9 9 ARG H H 9 8.206 8.206 8.468 -0.262 25460 8409 1 20 . 1 1 10 10 GLU N N 10 121.220 121.220 125.269 -4.049 25460 8410 1 20 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.192 0.018 25460 8411 1 20 . 1 1 10 10 GLU C C 10 176.600 176.600 175.797 0.803 25460 8412 1 20 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.228 1.042 25460 8413 1 20 . 1 1 10 10 GLU CB C 10 29.780 29.780 29.420 0.360 25460 8414 1 20 . 1 1 10 10 GLU H H 10 8.562 8.562 8.685 -0.123 25460 8415 1 20 . 1 1 11 11 ASN N N 11 118.900 118.900 123.432 -4.532 25460 8416 1 20 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.667 0.003 25460 8417 1 20 . 1 1 11 11 ASN C C 11 175.420 175.420 174.614 0.806 25460 8418 1 20 . 1 1 11 11 ASN CA C 11 53.450 53.450 53.289 0.161 25460 8419 1 20 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.444 -0.734 25460 8420 1 20 . 1 1 11 11 ASN H H 11 8.337 8.337 8.258 0.079 25460 8421 1 20 . 1 1 12 12 LEU N N 12 121.830 121.830 123.005 -1.175 25460 8422 1 20 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.323 -0.131 25460 8423 1 20 . 1 1 12 12 LEU C C 12 177.290 177.290 175.159 2.131 25460 8424 1 20 . 1 1 12 12 LEU CA C 12 55.630 55.630 55.195 0.435 25460 8425 1 20 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.009 1.251 25460 8426 1 20 . 1 1 12 12 LEU H H 12 7.988 7.988 7.735 0.253 25460 8427 1 20 . 1 1 13 13 TYR N N 13 119.550 119.550 126.496 -6.946 25460 8428 1 20 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.644 -0.146 25460 8429 1 20 . 1 1 13 13 TYR C C 13 175.950 175.950 175.333 0.617 25460 8430 1 20 . 1 1 13 13 TYR CA C 13 57.930 57.930 56.277 1.653 25460 8431 1 20 . 1 1 13 13 TYR CB C 13 38.590 38.590 40.400 -1.810 25460 8432 1 20 . 1 1 13 13 TYR H H 13 7.966 7.966 7.899 0.068 25460 8433 1 20 . 1 1 14 14 PHE N N 14 121.130 121.130 122.534 -1.404 25460 8434 1 20 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.704 -0.180 25460 8435 1 20 . 1 1 14 14 PHE C C 14 175.820 175.820 175.896 -0.076 25460 8436 1 20 . 1 1 14 14 PHE CA C 14 57.950 57.950 56.982 0.968 25460 8437 1 20 . 1 1 14 14 PHE CB C 14 39.510 39.510 39.138 0.372 25460 8438 1 20 . 1 1 14 14 PHE H H 14 8.006 8.006 8.547 -0.541 25460 8439 1 20 . 1 1 15 15 GLN N N 15 121.840 121.840 128.003 -6.163 25460 8440 1 20 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.369 -0.184 25460 8441 1 20 . 1 1 15 15 GLN C C 15 176.420 176.420 176.087 0.333 25460 8442 1 20 . 1 1 15 15 GLN CA C 15 56.180 56.180 54.730 1.450 25460 8443 1 20 . 1 1 15 15 GLN CB C 15 29.110 29.110 27.761 1.349 25460 8444 1 20 . 1 1 15 15 GLN H H 15 8.217 8.217 8.975 -0.758 25460 8445 1 20 . 1 1 16 16 GLY N N 16 108.430 108.430 111.204 -2.774 25460 8446 1 20 . 1 1 16 16 GLY C C 16 174.140 174.140 175.542 -1.402 25460 8447 1 20 . 1 1 16 16 GLY CA C 16 45.310 45.310 46.623 -1.313 25460 8448 1 20 . 1 1 16 16 GLY H H 16 7.907 7.907 7.921 -0.014 25460 8449 1 20 . 1 1 17 17 HIS N N 17 117.990 117.990 118.194 -0.204 25460 8450 1 20 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.484 -0.607 25460 8451 1 20 . 1 1 17 17 HIS C C 17 174.610 174.610 175.619 -1.009 25460 8452 1 20 . 1 1 17 17 HIS CA C 17 55.430 55.430 57.521 -2.091 25460 8453 1 20 . 1 1 17 17 HIS CB C 17 29.280 29.280 30.137 -0.857 25460 8454 1 20 . 1 1 17 17 HIS H H 17 8.250 8.250 8.171 0.079 25460 8455 1 20 . 1 1 18 18 MET N N 18 121.430 121.430 116.529 4.901 25460 8456 1 20 . 1 1 18 18 MET HA H 18 4.395 4.395 4.662 -0.267 25460 8457 1 20 . 1 1 18 18 MET C C 18 175.750 175.750 174.205 1.545 25460 8458 1 20 . 1 1 18 18 MET CA C 18 55.660 55.660 55.501 0.159 25460 8459 1 20 . 1 1 18 18 MET CB C 18 32.740 32.740 34.651 -1.911 25460 8460 1 20 . 1 1 18 18 MET H H 18 8.320 8.320 7.875 0.445 25460 8461 1 20 . 1 1 19 19 ALA N N 19 125.550 125.550 129.656 -4.106 25460 8462 1 20 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.628 -0.356 25460 8463 1 20 . 1 1 19 19 ALA C C 19 176.950 176.950 176.551 0.399 25460 8464 1 20 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.588 0.672 25460 8465 1 20 . 1 1 19 19 ALA CB C 19 19.130 19.130 17.209 1.921 25460 8466 1 20 . 1 1 19 19 ALA H H 19 8.262 8.262 8.673 -0.411 25460 8467 1 20 . 1 1 20 20 ALA N N 20 124.430 124.430 122.574 1.856 25460 8468 1 20 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.135 0.401 25460 8469 1 20 . 1 1 20 20 ALA C C 20 175.390 175.390 175.570 -0.180 25460 8470 1 20 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.871 -1.771 25460 8471 1 20 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.385 1.035 25460 8472 1 20 . 1 1 20 20 ALA H H 20 8.083 8.083 7.979 0.104 25460 8473 1 20 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.215 0.235 25460 8474 1 20 . 1 1 21 21 PRO C C 21 175.770 175.770 176.875 -1.105 25460 8475 1 20 . 1 1 21 21 PRO CA C 21 55.520 55.520 64.093 -8.573 25460 8476 1 20 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.374 0.586 25460 8477 1 20 . 1 1 22 22 ALA N N 22 124.420 124.420 120.053 4.367 25460 8478 1 20 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.636 -0.303 25460 8479 1 20 . 1 1 22 22 ALA C C 22 176.920 176.920 177.368 -0.448 25460 8480 1 20 . 1 1 22 22 ALA CA C 22 52.350 52.350 50.884 1.466 25460 8481 1 20 . 1 1 22 22 ALA CB C 22 19.190 19.190 20.269 -1.079 25460 8482 1 20 . 1 1 22 22 ALA H H 22 8.235 8.235 7.569 0.666 25460 8483 1 20 . 1 1 23 23 ARG N N 23 120.140 120.140 122.243 -2.103 25460 8484 1 20 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.288 0.055 25460 8485 1 20 . 1 1 23 23 ARG C C 23 176.220 176.220 176.025 0.195 25460 8486 1 20 . 1 1 23 23 ARG CA C 23 57.000 57.000 57.811 -0.811 25460 8487 1 20 . 1 1 23 23 ARG CB C 23 33.490 33.490 31.164 2.326 25460 8488 1 20 . 1 1 23 23 ARG H H 23 9.271 9.271 8.312 0.959 25460 8489 1 20 . 1 1 24 24 PHE N N 24 119.130 119.130 116.951 2.179 25460 8490 1 20 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.560 -0.178 25460 8491 1 20 . 1 1 24 24 PHE C C 24 175.910 175.910 174.309 1.601 25460 8492 1 20 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.660 0.190 25460 8493 1 20 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.958 -0.398 25460 8494 1 20 . 1 1 24 24 PHE H H 24 9.270 9.270 8.432 0.838 25460 8495 1 20 . 1 1 25 25 CYS N N 25 116.300 116.300 118.571 -2.271 25460 8496 1 20 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.328 -0.009 25460 8497 1 20 . 1 1 25 25 CYS C C 25 172.990 172.990 172.908 0.082 25460 8498 1 20 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.226 -3.026 25460 8499 1 20 . 1 1 25 25 CYS CB C 25 39.740 39.740 30.702 9.038 25460 8500 1 20 . 1 1 25 25 CYS H H 25 9.254 9.254 9.114 0.140 25460 8501 1 20 . 1 1 26 26 VAL N N 26 126.290 126.290 125.520 0.770 25460 8502 1 20 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.449 -0.067 25460 8503 1 20 . 1 1 26 26 VAL C C 26 174.520 174.520 174.551 -0.031 25460 8504 1 20 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.126 0.614 25460 8505 1 20 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.241 0.139 25460 8506 1 20 . 1 1 26 26 VAL H H 26 9.512 9.512 8.936 0.576 25460 8507 1 20 . 1 1 27 27 TYR N N 27 123.620 123.620 126.498 -2.878 25460 8508 1 20 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.509 -0.365 25460 8509 1 20 . 1 1 27 27 TYR C C 27 175.400 175.400 175.253 0.147 25460 8510 1 20 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.727 1.373 25460 8511 1 20 . 1 1 27 27 TYR CB C 27 40.860 40.860 41.113 -0.253 25460 8512 1 20 . 1 1 27 27 TYR H H 27 8.240 8.240 8.893 -0.653 25460 8513 1 20 . 1 1 28 28 TYR N N 28 119.740 119.740 119.057 0.683 25460 8514 1 20 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.326 -0.053 25460 8515 1 20 . 1 1 28 28 TYR C C 28 174.590 174.590 174.738 -0.148 25460 8516 1 20 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.285 0.615 25460 8517 1 20 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.653 1.437 25460 8518 1 20 . 1 1 28 28 TYR H H 28 9.448 9.448 9.268 0.180 25460 8519 1 20 . 1 1 29 29 ASP N N 29 118.650 118.650 122.707 -4.057 25460 8520 1 20 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.049 0.206 25460 8521 1 20 . 1 1 29 29 ASP C C 29 177.670 177.670 175.934 1.736 25460 8522 1 20 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.098 -1.298 25460 8523 1 20 . 1 1 29 29 ASP CB C 29 41.350 41.350 42.304 -0.954 25460 8524 1 20 . 1 1 29 29 ASP H H 29 8.995 8.995 9.080 -0.085 25460 8525 1 20 . 1 1 30 30 GLY N N 30 114.740 114.740 116.202 -1.462 25460 8526 1 20 . 1 1 30 30 GLY C C 30 173.320 173.320 172.763 0.557 25460 8527 1 20 . 1 1 30 30 GLY CA C 30 44.110 44.110 44.947 -0.837 25460 8528 1 20 . 1 1 30 30 GLY H H 30 9.046 9.046 9.121 -0.075 25460 8529 1 20 . 1 1 31 31 HIS N N 31 113.880 113.880 117.093 -3.213 25460 8530 1 20 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.537 -0.044 25460 8531 1 20 . 1 1 31 31 HIS C C 31 175.230 175.230 174.338 0.892 25460 8532 1 20 . 1 1 31 31 HIS CA C 31 55.980 55.980 56.552 -0.572 25460 8533 1 20 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.250 0.379 25460 8534 1 20 . 1 1 31 31 HIS H H 31 8.306 8.306 8.263 0.043 25460 8535 1 20 . 1 1 32 32 LEU N N 32 124.060 124.060 123.070 0.990 25460 8536 1 20 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.756 0.068 25460 8537 1 20 . 1 1 32 32 LEU C C 32 176.030 176.030 175.480 0.550 25460 8538 1 20 . 1 1 32 32 LEU CA C 32 52.080 52.080 51.038 1.042 25460 8539 1 20 . 1 1 32 32 LEU CB C 32 41.540 41.540 42.640 -1.100 25460 8540 1 20 . 1 1 32 32 LEU H H 32 8.477 8.477 7.447 1.030 25460 8541 1 20 . 1 1 33 33 PRO HA H 33 3.753 3.753 3.979 -0.226 25460 8542 1 20 . 1 1 33 33 PRO C C 33 177.880 177.880 178.273 -0.393 25460 8543 1 20 . 1 1 33 33 PRO CA C 33 65.500 65.500 65.703 -0.203 25460 8544 1 20 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.382 0.388 25460 8545 1 20 . 1 1 34 34 ALA N N 34 115.220 115.220 117.826 -2.606 25460 8546 1 20 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.188 0.005 25460 8547 1 20 . 1 1 34 34 ALA C C 34 179.120 179.120 178.870 0.250 25460 8548 1 20 . 1 1 34 34 ALA CA C 34 54.610 54.610 54.434 0.176 25460 8549 1 20 . 1 1 34 34 ALA CB C 34 19.430 19.430 18.550 0.879 25460 8550 1 20 . 1 1 34 34 ALA H H 34 8.193 8.193 8.226 -0.033 25460 8551 1 20 . 1 1 35 35 THR N N 35 102.120 102.120 110.877 -8.757 25460 8552 1 20 . 1 1 35 35 THR HA H 35 4.597 4.597 4.440 0.157 25460 8553 1 20 . 1 1 35 35 THR C C 35 175.610 175.610 174.091 1.519 25460 8554 1 20 . 1 1 35 35 THR CA C 35 60.400 60.400 61.600 -1.200 25460 8555 1 20 . 1 1 35 35 THR CB C 35 70.550 70.550 69.681 0.869 25460 8556 1 20 . 1 1 35 35 THR H H 35 7.187 7.187 7.875 -0.688 25460 8557 1 20 . 1 1 36 36 ARG N N 36 122.520 122.520 120.426 2.094 25460 8558 1 20 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.632 0.131 25460 8559 1 20 . 1 1 36 36 ARG C C 36 175.220 175.220 175.835 -0.615 25460 8560 1 20 . 1 1 36 36 ARG CA C 36 56.090 56.090 54.967 1.123 25460 8561 1 20 . 1 1 36 36 ARG CB C 36 29.880 29.880 31.467 -1.587 25460 8562 1 20 . 1 1 36 36 ARG H H 36 7.918 7.918 7.498 0.420 25460 8563 1 20 . 1 1 37 37 VAL N N 37 122.110 122.110 121.967 0.143 25460 8564 1 20 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.330 0.011 25460 8565 1 20 . 1 1 37 37 VAL C C 37 175.690 175.690 175.020 0.670 25460 8566 1 20 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.394 0.936 25460 8567 1 20 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.446 1.604 25460 8568 1 20 . 1 1 37 37 VAL H H 37 8.603 8.603 8.856 -0.253 25460 8569 1 20 . 1 1 38 38 LEU N N 38 130.470 130.470 129.422 1.048 25460 8570 1 20 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.221 -0.452 25460 8571 1 20 . 1 1 38 38 LEU C C 38 176.510 176.510 176.032 0.478 25460 8572 1 20 . 1 1 38 38 LEU CA C 38 57.370 57.370 55.894 1.476 25460 8573 1 20 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.480 0.340 25460 8574 1 20 . 1 1 38 38 LEU H H 38 8.708 8.708 8.807 -0.099 25460 8575 1 20 . 1 1 39 39 LEU N N 39 126.440 126.440 129.240 -2.800 25460 8576 1 20 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.359 0.268 25460 8577 1 20 . 1 1 39 39 LEU C C 39 176.800 176.800 177.270 -0.470 25460 8578 1 20 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.153 -0.423 25460 8579 1 20 . 1 1 39 39 LEU CB C 39 42.330 42.330 42.973 -0.643 25460 8580 1 20 . 1 1 39 39 LEU H H 39 9.254 9.254 8.953 0.301 25460 8581 1 20 . 1 1 40 40 MET N N 40 114.550 114.550 111.205 3.345 25460 8582 1 20 . 1 1 40 40 MET HA H 40 4.471 4.471 4.699 -0.228 25460 8583 1 20 . 1 1 40 40 MET C C 40 173.750 173.750 173.573 0.177 25460 8584 1 20 . 1 1 40 40 MET CA C 40 56.040 56.040 54.857 1.183 25460 8585 1 20 . 1 1 40 40 MET CB C 40 36.880 36.880 35.231 1.649 25460 8586 1 20 . 1 1 40 40 MET H H 40 7.054 7.054 7.533 -0.479 25460 8587 1 20 . 1 1 41 41 TYR N N 41 123.270 123.270 119.105 4.165 25460 8588 1 20 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.646 -0.833 25460 8589 1 20 . 1 1 41 41 TYR C C 41 175.680 175.680 176.218 -0.538 25460 8590 1 20 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.033 0.907 25460 8591 1 20 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.625 -0.165 25460 8592 1 20 . 1 1 41 41 TYR H H 41 8.563 8.563 8.474 0.089 25460 8593 1 20 . 1 1 42 42 VAL N N 42 123.930 123.930 122.698 1.232 25460 8594 1 20 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.471 -0.062 25460 8595 1 20 . 1 1 42 42 VAL C C 42 175.600 175.600 174.686 0.914 25460 8596 1 20 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.912 0.568 25460 8597 1 20 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.469 -0.159 25460 8598 1 20 . 1 1 42 42 VAL H H 42 9.442 9.442 9.190 0.252 25460 8599 1 20 . 1 1 43 43 ARG N N 43 129.290 129.290 127.076 2.214 25460 8600 1 20 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.392 -0.468 25460 8601 1 20 . 1 1 43 43 ARG C C 43 177.010 177.010 176.315 0.695 25460 8602 1 20 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.456 1.304 25460 8603 1 20 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.174 -0.194 25460 8604 1 20 . 1 1 43 43 ARG H H 43 8.940 8.940 8.935 0.005 25460 8605 1 20 . 1 1 44 44 ILE N N 44 128.260 128.260 127.071 1.189 25460 8606 1 20 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.978 -0.292 25460 8607 1 20 . 1 1 44 44 ILE C C 44 177.020 177.020 176.535 0.485 25460 8608 1 20 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.991 1.939 25460 8609 1 20 . 1 1 44 44 ILE CB C 44 37.240 37.240 37.133 0.107 25460 8610 1 20 . 1 1 44 44 ILE H H 44 8.345 8.345 8.467 -0.122 25460 8611 1 20 . 1 1 45 45 GLY N N 45 115.530 115.530 115.627 -0.097 25460 8612 1 20 . 1 1 45 45 GLY C C 45 174.860 174.860 173.909 0.951 25460 8613 1 20 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.783 -0.543 25460 8614 1 20 . 1 1 45 45 GLY H H 45 9.423 9.423 9.228 0.195 25460 8615 1 20 . 1 1 46 46 THR N N 46 111.410 111.410 114.313 -2.903 25460 8616 1 20 . 1 1 46 46 THR HA H 46 4.974 4.974 4.806 0.168 25460 8617 1 20 . 1 1 46 46 THR C C 46 172.310 172.310 173.632 -1.322 25460 8618 1 20 . 1 1 46 46 THR CA C 46 60.280 60.280 60.040 0.240 25460 8619 1 20 . 1 1 46 46 THR CB C 46 72.160 72.160 71.444 0.716 25460 8620 1 20 . 1 1 46 46 THR H H 46 7.925 7.925 8.025 -0.100 25460 8621 1 20 . 1 1 47 47 THR N N 47 109.430 109.430 111.613 -2.183 25460 8622 1 20 . 1 1 47 47 THR HA H 47 5.383 5.383 5.396 -0.013 25460 8623 1 20 . 1 1 47 47 THR C C 47 174.560 174.560 174.051 0.509 25460 8624 1 20 . 1 1 47 47 THR CA C 47 59.240 59.240 60.223 -0.983 25460 8625 1 20 . 1 1 47 47 THR CB C 47 71.840 71.840 70.802 1.038 25460 8626 1 20 . 1 1 47 47 THR H H 47 7.784 7.784 8.296 -0.512 25460 8627 1 20 . 1 1 48 48 ALA N N 48 122.630 122.630 123.481 -0.851 25460 8628 1 20 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.585 0.073 25460 8629 1 20 . 1 1 48 48 ALA C C 48 175.620 175.620 175.323 0.297 25460 8630 1 20 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.527 0.073 25460 8631 1 20 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.323 2.087 25460 8632 1 20 . 1 1 48 48 ALA H H 48 8.681 8.681 8.805 -0.124 25460 8633 1 20 . 1 1 49 49 THR N N 49 116.020 116.020 117.919 -1.899 25460 8634 1 20 . 1 1 49 49 THR HA H 49 4.914 4.914 4.901 0.013 25460 8635 1 20 . 1 1 49 49 THR C C 49 174.400 174.400 173.996 0.404 25460 8636 1 20 . 1 1 49 49 THR CA C 49 62.320 62.320 62.202 0.118 25460 8637 1 20 . 1 1 49 49 THR CB C 49 69.260 69.260 68.706 0.554 25460 8638 1 20 . 1 1 49 49 THR H H 49 8.347 8.347 8.321 0.026 25460 8639 1 20 . 1 1 50 50 ILE N N 50 126.050 126.050 128.658 -2.608 25460 8640 1 20 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.235 0.201 25460 8641 1 20 . 1 1 50 50 ILE C C 50 175.080 175.080 175.466 -0.386 25460 8642 1 20 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.945 0.565 25460 8643 1 20 . 1 1 50 50 ILE CB C 50 40.670 40.670 38.956 1.714 25460 8644 1 20 . 1 1 50 50 ILE H H 50 9.199 9.199 9.066 0.133 25460 8645 1 20 . 1 1 51 51 THR N N 51 120.630 120.630 122.718 -2.088 25460 8646 1 20 . 1 1 51 51 THR HA H 51 5.312 5.312 5.494 -0.182 25460 8647 1 20 . 1 1 51 51 THR C C 51 174.250 174.250 173.259 0.991 25460 8648 1 20 . 1 1 51 51 THR CA C 51 61.030 61.030 61.286 -0.256 25460 8649 1 20 . 1 1 51 51 THR CB C 51 69.850 69.850 69.645 0.205 25460 8650 1 20 . 1 1 51 51 THR H H 51 8.500 8.500 8.544 -0.044 25460 8651 1 20 . 1 1 52 52 ALA N N 52 127.710 127.710 127.236 0.474 25460 8652 1 20 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.894 -0.183 25460 8653 1 20 . 1 1 52 52 ALA C C 52 176.530 176.530 176.743 -0.213 25460 8654 1 20 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.676 0.304 25460 8655 1 20 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.895 0.824 25460 8656 1 20 . 1 1 52 52 ALA H H 52 9.202 9.202 9.218 -0.016 25460 8657 1 20 . 1 1 53 53 ARG N N 53 118.780 118.780 122.287 -3.507 25460 8658 1 20 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.944 -0.088 25460 8659 1 20 . 1 1 53 53 ARG C C 53 177.070 177.070 175.919 1.151 25460 8660 1 20 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.555 0.475 25460 8661 1 20 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.869 -0.828 25460 8662 1 20 . 1 1 53 53 ARG H H 53 9.303 9.303 9.204 0.099 25460 8663 1 20 . 1 1 54 54 GLY N N 54 104.070 104.070 103.063 1.007 25460 8664 1 20 . 1 1 54 54 GLY C C 54 174.110 174.110 173.975 0.135 25460 8665 1 20 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.002 0.358 25460 8666 1 20 . 1 1 54 54 GLY H H 54 8.714 8.714 8.414 0.300 25460 8667 1 20 . 1 1 55 55 HIS N N 55 119.170 119.170 120.714 -1.544 25460 8668 1 20 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.542 0.234 25460 8669 1 20 . 1 1 55 55 HIS C C 55 172.310 172.310 173.482 -1.172 25460 8670 1 20 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.313 -1.283 25460 8671 1 20 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.282 0.818 25460 8672 1 20 . 1 1 55 55 HIS H H 55 8.227 8.227 8.261 -0.034 25460 8673 1 20 . 1 1 56 56 GLU N N 56 119.640 119.640 122.450 -2.810 25460 8674 1 20 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.159 -0.072 25460 8675 1 20 . 1 1 56 56 GLU C C 56 176.150 176.150 175.438 0.712 25460 8676 1 20 . 1 1 56 56 GLU CA C 56 55.090 55.090 54.927 0.163 25460 8677 1 20 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.919 0.861 25460 8678 1 20 . 1 1 56 56 GLU H H 56 8.024 8.024 8.538 -0.514 25460 8679 1 20 . 1 1 57 57 PHE N N 57 121.660 121.660 124.671 -3.011 25460 8680 1 20 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.750 0.024 25460 8681 1 20 . 1 1 57 57 PHE C C 57 173.930 173.930 174.749 -0.819 25460 8682 1 20 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.675 -0.205 25460 8683 1 20 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.806 0.644 25460 8684 1 20 . 1 1 57 57 PHE H H 57 9.219 9.219 9.233 -0.014 25460 8685 1 20 . 1 1 58 58 GLU N N 58 125.630 125.630 126.630 -1.000 25460 8686 1 20 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.866 0.358 25460 8687 1 20 . 1 1 58 58 GLU C C 58 175.820 175.820 175.755 0.065 25460 8688 1 20 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.342 0.118 25460 8689 1 20 . 1 1 58 58 GLU CB C 58 29.950 29.950 29.928 0.022 25460 8690 1 20 . 1 1 58 58 GLU H H 58 8.597 8.597 9.027 -0.430 25460 8691 1 20 . 1 1 59 59 VAL N N 59 120.690 120.690 122.384 -1.694 25460 8692 1 20 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.660 0.755 25460 8693 1 20 . 1 1 59 59 VAL C C 59 174.790 174.790 174.029 0.761 25460 8694 1 20 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.536 -0.986 25460 8695 1 20 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.641 -0.491 25460 8696 1 20 . 1 1 59 59 VAL H H 59 8.809 8.809 8.901 -0.092 25460 8697 1 20 . 1 1 60 60 GLU N N 60 118.570 118.570 125.267 -6.697 25460 8698 1 20 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.713 -0.096 25460 8699 1 20 . 1 1 60 60 GLU C C 60 176.050 176.050 175.736 0.314 25460 8700 1 20 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.228 -0.048 25460 8701 1 20 . 1 1 60 60 GLU CB C 60 32.050 32.050 31.925 0.125 25460 8702 1 20 . 1 1 60 60 GLU H H 60 8.024 8.024 8.867 -0.844 25460 8703 1 20 . 1 1 61 61 ALA N N 61 132.630 132.630 131.513 1.117 25460 8704 1 20 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.611 0.088 25460 8705 1 20 . 1 1 61 61 ALA C C 61 176.260 176.260 176.589 -0.329 25460 8706 1 20 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.712 -1.192 25460 8707 1 20 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.625 -0.915 25460 8708 1 20 . 1 1 61 61 ALA H H 61 8.230 8.230 8.795 -0.565 25460 8709 1 20 . 1 1 62 62 LYS N N 62 126.080 126.080 120.391 5.689 25460 8710 1 20 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.340 -0.342 25460 8711 1 20 . 1 1 62 62 LYS C C 62 177.030 177.030 175.594 1.436 25460 8712 1 20 . 1 1 62 62 LYS CA C 62 59.590 59.590 56.630 2.960 25460 8713 1 20 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.235 1.305 25460 8714 1 20 . 1 1 62 62 LYS H H 62 9.070 9.070 7.934 1.136 25460 8715 1 20 . 1 1 63 63 ASP N N 63 110.550 110.550 118.864 -8.314 25460 8716 1 20 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.768 -0.382 25460 8717 1 20 . 1 1 63 63 ASP C C 63 175.810 175.810 176.413 -0.603 25460 8718 1 20 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.992 0.158 25460 8719 1 20 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.445 -2.195 25460 8720 1 20 . 1 1 63 63 ASP H H 63 7.507 7.507 7.719 -0.212 25460 8721 1 20 . 1 1 64 64 GLN N N 64 112.740 112.740 122.511 -9.771 25460 8722 1 20 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.172 -0.072 25460 8723 1 20 . 1 1 64 64 GLN C C 64 175.950 175.950 176.159 -0.209 25460 8724 1 20 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.656 0.034 25460 8725 1 20 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.634 -0.794 25460 8726 1 20 . 1 1 64 64 GLN H H 64 8.410 8.410 8.702 -0.292 25460 8727 1 20 . 1 1 65 65 ASN N N 65 117.790 117.790 117.358 0.432 25460 8728 1 20 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.782 -0.203 25460 8729 1 20 . 1 1 65 65 ASN C C 65 177.250 177.250 174.300 2.950 25460 8730 1 20 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.048 2.072 25460 8731 1 20 . 1 1 65 65 ASN CB C 65 37.910 37.910 40.509 -2.599 25460 8732 1 20 . 1 1 65 65 ASN H H 65 8.747 8.747 8.551 0.196 25460 8733 1 20 . 1 1 66 66 CYS N N 66 112.640 112.640 117.380 -4.740 25460 8734 1 20 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.221 0.204 25460 8735 1 20 . 1 1 66 66 CYS C C 66 174.970 174.970 174.037 0.933 25460 8736 1 20 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.926 -3.796 25460 8737 1 20 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.899 11.261 25460 8738 1 20 . 1 1 66 66 CYS H H 66 8.527 8.527 7.730 0.797 25460 8739 1 20 . 1 1 67 67 LYS N N 67 116.240 116.240 121.829 -5.589 25460 8740 1 20 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.383 -0.206 25460 8741 1 20 . 1 1 67 67 LYS C C 67 178.480 178.480 175.851 2.629 25460 8742 1 20 . 1 1 67 67 LYS CA C 67 56.860 56.860 54.462 2.398 25460 8743 1 20 . 1 1 67 67 LYS CB C 67 32.120 32.120 31.317 0.803 25460 8744 1 20 . 1 1 67 67 LYS H H 67 8.014 8.014 8.274 -0.260 25460 8745 1 20 . 1 1 68 68 VAL N N 68 126.980 126.980 125.485 1.495 25460 8746 1 20 . 1 1 68 68 VAL HA H 68 3.675 3.675 3.987 -0.312 25460 8747 1 20 . 1 1 68 68 VAL C C 68 174.460 174.460 174.581 -0.121 25460 8748 1 20 . 1 1 68 68 VAL CA C 68 64.750 64.750 62.587 2.163 25460 8749 1 20 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.073 -1.913 25460 8750 1 20 . 1 1 68 68 VAL H H 68 8.967 8.967 7.787 1.180 25460 8751 1 20 . 1 1 69 69 ILE N N 69 132.540 132.540 127.674 4.866 25460 8752 1 20 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.646 -0.467 25460 8753 1 20 . 1 1 69 69 ILE C C 69 175.060 175.060 174.949 0.111 25460 8754 1 20 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.322 1.238 25460 8755 1 20 . 1 1 69 69 ILE CB C 69 41.490 41.490 41.229 0.261 25460 8756 1 20 . 1 1 69 69 ILE H H 69 8.689 8.689 7.668 1.021 25460 8757 1 20 . 1 1 70 70 LEU N N 70 125.290 125.290 126.635 -1.345 25460 8758 1 20 . 1 1 70 70 LEU HA H 70 5.298 5.298 5.032 0.266 25460 8759 1 20 . 1 1 70 70 LEU C C 70 180.800 180.800 178.798 2.002 25460 8760 1 20 . 1 1 70 70 LEU CA C 70 53.190 53.190 53.955 -0.765 25460 8761 1 20 . 1 1 70 70 LEU CB C 70 41.150 41.150 43.177 -2.027 25460 8762 1 20 . 1 1 70 70 LEU H H 70 8.829 8.829 9.261 -0.432 25460 8763 1 20 . 1 1 71 71 THR N N 71 115.510 115.510 115.971 -0.461 25460 8764 1 20 . 1 1 71 71 THR HA H 71 4.094 4.094 4.149 -0.055 25460 8765 1 20 . 1 1 71 71 THR C C 71 176.240 176.240 175.918 0.322 25460 8766 1 20 . 1 1 71 71 THR CA C 71 63.950 63.950 65.441 -1.491 25460 8767 1 20 . 1 1 71 71 THR CB C 71 68.280 68.280 68.755 -0.475 25460 8768 1 20 . 1 1 71 71 THR H H 71 8.546 8.546 8.653 -0.107 25460 8769 1 20 . 1 1 72 72 ASN N N 72 117.010 117.010 118.317 -1.307 25460 8770 1 20 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.756 -0.192 25460 8771 1 20 . 1 1 72 72 ASN C C 72 177.340 177.340 175.943 1.397 25460 8772 1 20 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.419 -0.709 25460 8773 1 20 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.786 -1.566 25460 8774 1 20 . 1 1 72 72 ASN H H 72 8.162 8.162 8.251 -0.089 25460 8775 1 20 . 1 1 73 73 GLY N N 73 106.660 106.660 107.703 -1.043 25460 8776 1 20 . 1 1 73 73 GLY C C 73 175.020 175.020 173.833 1.187 25460 8777 1 20 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.068 0.632 25460 8778 1 20 . 1 1 73 73 GLY H H 73 7.985 7.985 7.945 0.040 25460 8779 1 20 . 1 1 74 74 LYS N N 74 120.730 120.730 120.485 0.245 25460 8780 1 20 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.364 -0.066 25460 8781 1 20 . 1 1 74 74 LYS C C 74 175.720 175.720 176.565 -0.845 25460 8782 1 20 . 1 1 74 74 LYS CA C 74 55.730 55.730 55.575 0.154 25460 8783 1 20 . 1 1 74 74 LYS CB C 74 32.490 32.490 32.658 -0.168 25460 8784 1 20 . 1 1 74 74 LYS H H 74 7.820 7.820 7.821 -0.001 25460 8785 1 20 . 1 1 75 75 GLN N N 75 119.590 119.590 121.659 -2.069 25460 8786 1 20 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.311 -0.155 25460 8787 1 20 . 1 1 75 75 GLN C C 75 176.490 176.490 174.721 1.769 25460 8788 1 20 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.057 0.523 25460 8789 1 20 . 1 1 75 75 GLN CB C 75 29.020 29.020 28.883 0.137 25460 8790 1 20 . 1 1 75 75 GLN H H 75 8.273 8.273 8.745 -0.472 25460 8791 1 20 . 1 1 76 76 ALA N N 76 129.340 129.340 121.593 7.747 25460 8792 1 20 . 1 1 76 76 ALA HA H 76 4.166 4.166 3.970 0.196 25460 8793 1 20 . 1 1 76 76 ALA C C 76 174.920 174.920 174.694 0.226 25460 8794 1 20 . 1 1 76 76 ALA CA C 76 50.080 50.080 51.379 -1.298 25460 8795 1 20 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.907 -0.027 25460 8796 1 20 . 1 1 76 76 ALA H H 76 8.698 8.698 7.499 1.199 25460 8797 1 20 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.344 -0.107 25460 8798 1 20 . 1 1 77 77 PRO C C 77 178.170 178.170 176.835 1.335 25460 8799 1 20 . 1 1 77 77 PRO CA C 77 62.170 62.170 61.840 0.330 25460 8800 1 20 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.658 -0.188 25460 8801 1 20 . 1 1 78 78 ASP N N 78 121.040 121.040 120.667 0.373 25460 8802 1 20 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.270 -0.053 25460 8803 1 20 . 1 1 78 78 ASP C C 78 176.610 176.610 176.247 0.363 25460 8804 1 20 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.465 0.035 25460 8805 1 20 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.980 -0.450 25460 8806 1 20 . 1 1 78 78 ASP H H 78 8.607 8.607 8.537 0.070 25460 8807 1 20 . 1 1 79 79 TRP N N 79 114.440 114.440 112.890 1.550 25460 8808 1 20 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.658 -0.166 25460 8809 1 20 . 1 1 79 79 TRP C C 79 175.280 175.280 175.525 -0.245 25460 8810 1 20 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.394 -0.764 25460 8811 1 20 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.319 -0.179 25460 8812 1 20 . 1 1 79 79 TRP H H 79 6.768 6.768 7.411 -0.643 25460 8813 1 20 . 1 1 80 80 LEU N N 80 123.450 123.450 123.980 -0.530 25460 8814 1 20 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.793 -0.032 25460 8815 1 20 . 1 1 80 80 LEU C C 80 174.270 174.270 175.438 -1.168 25460 8816 1 20 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.721 1.129 25460 8817 1 20 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.665 0.225 25460 8818 1 20 . 1 1 80 80 LEU H H 80 6.577 6.577 7.037 -0.460 25460 8819 1 20 . 1 1 81 81 ALA N N 81 130.910 130.910 130.146 0.764 25460 8820 1 20 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.714 -0.047 25460 8821 1 20 . 1 1 81 81 ALA C C 81 175.210 175.210 175.365 -0.155 25460 8822 1 20 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.705 -0.395 25460 8823 1 20 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.298 0.972 25460 8824 1 20 . 1 1 81 81 ALA H H 81 9.037 9.037 8.907 0.130 25460 8825 1 20 . 1 1 82 82 ALA N N 82 119.120 119.120 125.214 -6.094 25460 8826 1 20 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.334 0.343 25460 8827 1 20 . 1 1 82 82 ALA C C 82 177.280 177.280 176.188 1.092 25460 8828 1 20 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.974 0.036 25460 8829 1 20 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.389 0.851 25460 8830 1 20 . 1 1 82 82 ALA H H 82 8.159 8.159 8.437 -0.278 25460 8831 1 20 . 1 1 83 83 GLU N N 83 116.910 116.910 122.290 -5.380 25460 8832 1 20 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.881 0.057 25460 8833 1 20 . 1 1 83 83 GLU C C 83 172.560 172.560 174.237 -1.677 25460 8834 1 20 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.681 0.329 25460 8835 1 20 . 1 1 83 83 GLU CB C 83 32.470 32.470 32.142 0.328 25460 8836 1 20 . 1 1 83 83 GLU H H 83 8.614 8.614 8.479 0.135 25460 8837 1 20 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.480 1.033 25460 8838 1 20 . 1 1 84 84 PRO C C 84 177.340 177.340 175.703 1.637 25460 8839 1 20 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.586 -0.656 25460 8840 1 20 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.277 0.143 25460 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 73 3.369 1.396 3.088 25460 2 1 1 "Average Difference" HA 82 0.333 -0.001 0.335 25460 3 1 1 "Average Difference" C 77 0.925 -0.386 0.846 25460 4 1 1 "Average Difference" CA 77 1.492 -0.080 1.499 25460 5 1 1 "Average Difference" CB 71 2.032 -0.297 2.025 25460 6 1 1 "Average Difference" HN 73 0.442 -0.033 0.444 25460 7 1 2 "Average Difference" N 73 3.322 1.295 3.080 25460 8 1 2 "Average Difference" HA 82 0.318 0.025 0.319 25460 9 1 2 "Average Difference" C 77 0.905 -0.405 0.815 25460 10 1 2 "Average Difference" CA 77 1.448 -0.158 1.449 25460 11 1 2 "Average Difference" CB 71 2.132 -0.335 2.120 25460 12 1 2 "Average Difference" HN 73 0.461 -0.018 0.464 25460 13 1 3 "Average Difference" N 73 3.216 1.492 2.868 25460 14 1 3 "Average Difference" HA 82 0.303 -0.033 0.303 25460 15 1 3 "Average Difference" C 77 0.934 -0.304 0.889 25460 16 1 3 "Average Difference" CA 77 1.427 0.027 1.436 25460 17 1 3 "Average Difference" CB 71 2.187 -0.496 2.145 25460 18 1 3 "Average Difference" HN 73 0.458 -0.038 0.459 25460 19 1 4 "Average Difference" N 73 3.432 1.322 3.189 25460 20 1 4 "Average Difference" HA 82 0.307 0.011 0.309 25460 21 1 4 "Average Difference" C 77 0.944 -0.328 0.891 25460 22 1 4 "Average Difference" CA 77 1.476 -0.109 1.482 25460 23 1 4 "Average Difference" CB 71 2.137 -0.409 2.112 25460 24 1 4 "Average Difference" HN 73 0.440 -0.021 0.443 25460 25 1 5 "Average Difference" N 73 3.558 1.362 3.310 25460 26 1 5 "Average Difference" HA 82 0.290 -0.004 0.291 25460 27 1 5 "Average Difference" C 77 0.980 -0.462 0.870 25460 28 1 5 "Average Difference" CA 77 1.396 -0.043 1.405 25460 29 1 5 "Average Difference" CB 71 2.025 -0.298 2.017 25460 30 1 5 "Average Difference" HN 73 0.479 -0.034 0.481 25460 31 1 6 "Average Difference" N 73 3.362 1.249 3.143 25460 32 1 6 "Average Difference" HA 82 0.341 -0.004 0.343 25460 33 1 6 "Average Difference" C 77 0.956 -0.439 0.854 25460 34 1 6 "Average Difference" CA 77 1.405 -0.079 1.412 25460 35 1 6 "Average Difference" CB 71 2.103 -0.322 2.093 25460 36 1 6 "Average Difference" HN 73 0.455 -0.044 0.456 25460 37 1 7 "Average Difference" N 73 2.863 0.687 2.798 25460 38 1 7 "Average Difference" HA 82 0.345 -0.023 0.346 25460 39 1 7 "Average Difference" C 77 0.932 -0.325 0.880 25460 40 1 7 "Average Difference" CA 77 1.459 0.056 1.468 25460 41 1 7 "Average Difference" CB 71 2.122 -0.321 2.113 25460 42 1 7 "Average Difference" HN 73 0.455 -0.024 0.457 25460 43 1 8 "Average Difference" N 73 3.617 1.367 3.372 25460 44 1 8 "Average Difference" HA 82 0.321 0.000 0.323 25460 45 1 8 "Average Difference" C 77 1.018 -0.435 0.927 25460 46 1 8 "Average Difference" CA 77 1.484 -0.057 1.492 25460 47 1 8 "Average Difference" CB 71 2.146 -0.447 2.114 25460 48 1 8 "Average Difference" HN 73 0.466 -0.031 0.468 25460 49 1 9 "Average Difference" N 73 3.396 1.137 3.222 25460 50 1 9 "Average Difference" HA 82 0.353 0.013 0.355 25460 51 1 9 "Average Difference" C 77 0.977 -0.436 0.880 25460 52 1 9 "Average Difference" CA 77 1.574 -0.095 1.581 25460 53 1 9 "Average Difference" CB 71 2.097 -0.356 2.081 25460 54 1 9 "Average Difference" HN 73 0.434 0.003 0.437 25460 55 1 10 "Average Difference" N 73 3.580 1.269 3.370 25460 56 1 10 "Average Difference" HA 82 0.320 0.011 0.321 25460 57 1 10 "Average Difference" C 77 0.975 -0.431 0.880 25460 58 1 10 "Average Difference" CA 77 1.516 -0.108 1.522 25460 59 1 10 "Average Difference" CB 71 2.080 -0.422 2.051 25460 60 1 10 "Average Difference" HN 73 0.425 -0.016 0.428 25460 61 1 11 "Average Difference" N 73 3.363 1.342 3.105 25460 62 1 11 "Average Difference" HA 82 0.348 -0.014 0.350 25460 63 1 11 "Average Difference" C 77 0.959 -0.322 0.909 25460 64 1 11 "Average Difference" CA 77 1.556 0.004 1.566 25460 65 1 11 "Average Difference" CB 71 2.255 -0.503 2.214 25460 66 1 11 "Average Difference" HN 73 0.435 -0.028 0.437 25460 67 1 12 "Average Difference" N 73 3.474 1.333 3.230 25460 68 1 12 "Average Difference" HA 82 0.338 0.008 0.340 25460 69 1 12 "Average Difference" C 77 0.988 -0.481 0.868 25460 70 1 12 "Average Difference" CA 77 1.418 -0.054 1.426 25460 71 1 12 "Average Difference" CB 71 2.097 -0.432 2.066 25460 72 1 12 "Average Difference" HN 73 0.469 -0.021 0.472 25460 73 1 13 "Average Difference" N 73 3.356 1.114 3.188 25460 74 1 13 "Average Difference" HA 82 0.320 -0.023 0.321 25460 75 1 13 "Average Difference" C 77 0.986 -0.407 0.904 25460 76 1 13 "Average Difference" CA 77 1.547 -0.002 1.557 25460 77 1 13 "Average Difference" CB 71 2.118 -0.430 2.088 25460 78 1 13 "Average Difference" HN 73 0.487 -0.032 0.489 25460 79 1 14 "Average Difference" N 73 3.199 1.285 2.950 25460 80 1 14 "Average Difference" HA 82 0.356 0.035 0.356 25460 81 1 14 "Average Difference" C 77 0.985 -0.438 0.888 25460 82 1 14 "Average Difference" CA 77 1.515 -0.140 1.518 25460 83 1 14 "Average Difference" CB 71 2.075 -0.258 2.073 25460 84 1 14 "Average Difference" HN 73 0.452 -0.036 0.453 25460 85 1 15 "Average Difference" N 73 3.395 0.946 3.283 25460 86 1 15 "Average Difference" HA 82 0.349 0.001 0.351 25460 87 1 15 "Average Difference" C 77 0.919 -0.362 0.850 25460 88 1 15 "Average Difference" CA 77 1.520 -0.054 1.529 25460 89 1 15 "Average Difference" CB 71 2.129 -0.401 2.106 25460 90 1 15 "Average Difference" HN 73 0.442 -0.026 0.445 25460 91 1 16 "Average Difference" N 73 2.856 0.966 2.706 25460 92 1 16 "Average Difference" HA 82 0.315 -0.010 0.317 25460 93 1 16 "Average Difference" C 77 0.965 -0.411 0.879 25460 94 1 16 "Average Difference" CA 77 1.483 -0.036 1.493 25460 95 1 16 "Average Difference" CB 71 2.162 -0.375 2.144 25460 96 1 16 "Average Difference" HN 73 0.423 -0.025 0.425 25460 97 1 17 "Average Difference" N 73 3.282 1.410 2.984 25460 98 1 17 "Average Difference" HA 82 0.312 0.007 0.314 25460 99 1 17 "Average Difference" C 77 0.993 -0.436 0.898 25460 100 1 17 "Average Difference" CA 77 1.536 -0.051 1.545 25460 101 1 17 "Average Difference" CB 71 2.185 -0.366 2.170 25460 102 1 17 "Average Difference" HN 73 0.455 -0.022 0.457 25460 103 1 18 "Average Difference" N 73 3.564 1.452 3.277 25460 104 1 18 "Average Difference" HA 82 0.349 0.003 0.351 25460 105 1 18 "Average Difference" C 77 1.039 -0.410 0.961 25460 106 1 18 "Average Difference" CA 77 1.525 -0.054 1.534 25460 107 1 18 "Average Difference" CB 71 2.077 -0.377 2.057 25460 108 1 18 "Average Difference" HN 73 0.478 -0.018 0.481 25460 109 1 19 "Average Difference" N 73 3.502 1.468 3.201 25460 110 1 19 "Average Difference" HA 82 0.313 -0.022 0.314 25460 111 1 19 "Average Difference" C 77 0.983 -0.505 0.848 25460 112 1 19 "Average Difference" CA 77 1.320 -0.039 1.328 25460 113 1 19 "Average Difference" CB 71 2.052 -0.391 2.029 25460 114 1 19 "Average Difference" HN 73 0.461 -0.050 0.462 25460 115 1 20 "Average Difference" N 73 3.538 1.145 3.371 25460 116 1 20 "Average Difference" HA 82 0.302 0.007 0.304 25460 117 1 20 "Average Difference" C 77 1.028 -0.403 0.952 25460 118 1 20 "Average Difference" CA 77 1.521 -0.027 1.531 25460 119 1 20 "Average Difference" CB 71 2.012 -0.353 1.995 25460 120 1 20 "Average Difference" HN 73 0.463 -0.029 0.465 25460 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 25460 _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 8 8 GLY N N 8 110.720 110.720 110.720 -0.000 25460 2 1 . 1 1 8 8 GLY C C 8 174.650 174.650 173.761 0.889 25460 3 1 . 1 1 8 8 GLY CA C 8 45.470 45.470 44.988 0.483 25460 4 1 . 1 1 8 8 GLY H H 8 8.462 8.462 8.427 0.035 25460 5 1 . 1 1 9 9 ARG N N 9 120.430 120.430 122.249 -1.819 25460 6 1 . 1 1 9 9 ARG HA H 9 4.318 4.318 4.408 -0.090 25460 7 1 . 1 1 9 9 ARG C C 9 176.790 176.790 175.395 1.395 25460 8 1 . 1 1 9 9 ARG CA C 9 56.340 56.340 55.770 0.570 25460 9 1 . 1 1 9 9 ARG CB C 9 30.530 30.530 30.112 0.418 25460 10 1 . 1 1 9 9 ARG H H 9 8.206 8.206 8.335 -0.129 25460 11 1 . 1 1 10 10 GLU N N 10 121.220 121.220 122.458 -1.238 25460 12 1 . 1 1 10 10 GLU HA H 10 4.210 4.210 4.332 -0.122 25460 13 1 . 1 1 10 10 GLU C C 10 176.600 176.600 175.688 0.912 25460 14 1 . 1 1 10 10 GLU CA C 10 57.270 57.270 56.172 1.098 25460 15 1 . 1 1 10 10 GLU CB C 10 29.780 29.780 30.107 -0.327 25460 16 1 . 1 1 10 10 GLU H H 10 8.562 8.562 8.294 0.268 25460 17 1 . 1 1 11 11 ASN N N 11 118.900 118.900 121.408 -2.509 25460 18 1 . 1 1 11 11 ASN HA H 11 4.670 4.670 4.658 0.012 25460 19 1 . 1 1 11 11 ASN C C 11 175.420 175.420 174.328 1.092 25460 20 1 . 1 1 11 11 ASN CA C 11 53.450 53.450 53.088 0.362 25460 21 1 . 1 1 11 11 ASN CB C 11 38.710 38.710 39.083 -0.373 25460 22 1 . 1 1 11 11 ASN H H 11 8.337 8.337 8.421 -0.084 25460 23 1 . 1 1 12 12 LEU N N 12 121.830 121.830 123.685 -1.855 25460 24 1 . 1 1 12 12 LEU HA H 12 4.192 4.192 4.220 -0.028 25460 25 1 . 1 1 12 12 LEU C C 12 177.290 177.290 175.577 1.713 25460 26 1 . 1 1 12 12 LEU CA C 12 55.630 55.630 54.572 1.058 25460 27 1 . 1 1 12 12 LEU CB C 12 42.260 42.260 41.499 0.761 25460 28 1 . 1 1 12 12 LEU H H 12 7.988 7.988 7.867 0.121 25460 29 1 . 1 1 13 13 TYR N N 13 119.550 119.550 125.139 -5.589 25460 30 1 . 1 1 13 13 TYR HA H 13 4.498 4.498 4.387 0.111 25460 31 1 . 1 1 13 13 TYR C C 13 175.950 175.950 175.401 0.549 25460 32 1 . 1 1 13 13 TYR CA C 13 57.930 57.930 57.509 0.421 25460 33 1 . 1 1 13 13 TYR CB C 13 38.590 38.590 38.637 -0.047 25460 34 1 . 1 1 13 13 TYR H H 13 7.966 7.966 8.098 -0.132 25460 35 1 . 1 1 14 14 PHE N N 14 121.130 121.130 124.378 -3.248 25460 36 1 . 1 1 14 14 PHE HA H 14 4.524 4.524 4.542 -0.018 25460 37 1 . 1 1 14 14 PHE C C 14 175.820 175.820 175.498 0.322 25460 38 1 . 1 1 14 14 PHE CA C 14 57.950 57.950 57.869 0.081 25460 39 1 . 1 1 14 14 PHE CB C 14 39.510 39.510 39.179 0.331 25460 40 1 . 1 1 14 14 PHE H H 14 8.006 8.006 8.282 -0.276 25460 41 1 . 1 1 15 15 GLN N N 15 121.840 121.840 124.569 -2.729 25460 42 1 . 1 1 15 15 GLN HA H 15 4.185 4.185 4.419 -0.234 25460 43 1 . 1 1 15 15 GLN C C 15 176.420 176.420 175.703 0.717 25460 44 1 . 1 1 15 15 GLN CA C 15 56.180 56.180 55.465 0.714 25460 45 1 . 1 1 15 15 GLN CB C 15 29.110 29.110 28.508 0.602 25460 46 1 . 1 1 15 15 GLN H H 15 8.217 8.217 8.602 -0.385 25460 47 1 . 1 1 16 16 GLY N N 16 108.430 108.430 111.956 -3.526 25460 48 1 . 1 1 16 16 GLY C C 16 174.140 174.140 173.892 0.248 25460 49 1 . 1 1 16 16 GLY CA C 16 45.310 45.310 45.055 0.255 25460 50 1 . 1 1 16 16 GLY H H 16 7.907 7.907 8.226 -0.319 25460 51 1 . 1 1 17 17 HIS N N 17 117.990 117.990 120.090 -2.100 25460 52 1 . 1 1 17 17 HIS HA H 17 3.877 3.877 4.624 -0.747 25460 53 1 . 1 1 17 17 HIS C C 17 174.610 174.610 174.502 0.108 25460 54 1 . 1 1 17 17 HIS CA C 17 55.430 55.430 55.959 -0.528 25460 55 1 . 1 1 17 17 HIS CB C 17 29.280 29.280 30.320 -1.040 25460 56 1 . 1 1 17 17 HIS H H 17 8.250 8.250 8.166 0.084 25460 57 1 . 1 1 18 18 MET N N 18 121.430 121.430 122.624 -1.194 25460 58 1 . 1 1 18 18 MET HA H 18 4.395 4.395 4.581 -0.186 25460 59 1 . 1 1 18 18 MET C C 18 175.750 175.750 175.383 0.367 25460 60 1 . 1 1 18 18 MET CA C 18 55.660 55.660 54.748 0.912 25460 61 1 . 1 1 18 18 MET CB C 18 32.740 32.740 33.932 -1.192 25460 62 1 . 1 1 18 18 MET H H 18 8.320 8.320 8.139 0.181 25460 63 1 . 1 1 19 19 ALA N N 19 125.550 125.550 126.296 -0.746 25460 64 1 . 1 1 19 19 ALA HA H 19 4.272 4.272 4.460 -0.188 25460 65 1 . 1 1 19 19 ALA C C 19 176.950 176.950 176.481 0.469 25460 66 1 . 1 1 19 19 ALA CA C 19 52.260 52.260 51.827 0.433 25460 67 1 . 1 1 19 19 ALA CB C 19 19.130 19.130 18.411 0.719 25460 68 1 . 1 1 19 19 ALA H H 19 8.262 8.262 8.567 -0.305 25460 69 1 . 1 1 20 20 ALA N N 20 124.430 124.430 122.504 1.926 25460 70 1 . 1 1 20 20 ALA HA H 20 4.536 4.536 4.256 0.280 25460 71 1 . 1 1 20 20 ALA C C 20 175.390 175.390 175.600 -0.210 25460 72 1 . 1 1 20 20 ALA CA C 20 50.100 50.100 51.288 -1.188 25460 73 1 . 1 1 20 20 ALA CB C 20 18.420 18.420 17.946 0.474 25460 74 1 . 1 1 20 20 ALA H H 20 8.083 8.083 7.785 0.298 25460 75 1 . 1 1 21 21 PRO HA H 21 4.450 4.450 4.330 0.120 25460 76 1 . 1 1 21 21 PRO C C 21 175.770 175.770 176.195 -0.425 25460 77 1 . 1 1 21 21 PRO CA C 21 55.520 55.520 63.539 -8.019 25460 78 1 . 1 1 21 21 PRO CB C 21 32.960 32.960 32.243 0.717 25460 79 1 . 1 1 22 22 ALA N N 22 124.420 124.420 122.438 1.982 25460 80 1 . 1 1 22 22 ALA HA H 22 4.333 4.333 4.401 -0.068 25460 81 1 . 1 1 22 22 ALA C C 22 176.920 176.920 177.035 -0.115 25460 82 1 . 1 1 22 22 ALA CA C 22 52.350 52.350 51.824 0.526 25460 83 1 . 1 1 22 22 ALA CB C 22 19.190 19.190 19.956 -0.767 25460 84 1 . 1 1 22 22 ALA H H 22 8.235 8.235 7.752 0.483 25460 85 1 . 1 1 23 23 ARG N N 23 120.140 120.140 121.403 -1.263 25460 86 1 . 1 1 23 23 ARG HA H 23 4.343 4.343 4.419 -0.076 25460 87 1 . 1 1 23 23 ARG C C 23 176.220 176.220 175.562 0.658 25460 88 1 . 1 1 23 23 ARG CA C 23 57.000 57.000 56.943 0.057 25460 89 1 . 1 1 23 23 ARG CB C 23 33.490 33.490 32.132 1.358 25460 90 1 . 1 1 23 23 ARG H H 23 9.271 9.271 8.748 0.523 25460 91 1 . 1 1 24 24 PHE N N 24 119.130 119.130 116.426 2.704 25460 92 1 . 1 1 24 24 PHE HA H 24 5.382 5.382 5.515 -0.133 25460 93 1 . 1 1 24 24 PHE C C 24 175.910 175.910 174.356 1.554 25460 94 1 . 1 1 24 24 PHE CA C 24 56.850 56.850 56.488 0.362 25460 95 1 . 1 1 24 24 PHE CB C 24 43.560 43.560 43.646 -0.086 25460 96 1 . 1 1 24 24 PHE H H 24 9.270 9.270 8.043 1.227 25460 97 1 . 1 1 25 25 CYS N N 25 116.300 116.300 118.916 -2.616 25460 98 1 . 1 1 25 25 CYS HA H 25 5.319 5.319 5.376 -0.057 25460 99 1 . 1 1 25 25 CYS C C 25 172.990 172.990 173.731 -0.741 25460 100 1 . 1 1 25 25 CYS CA C 25 54.200 54.200 57.671 -3.471 25460 101 1 . 1 1 25 25 CYS CB C 25 39.740 39.740 29.936 9.804 25460 102 1 . 1 1 25 25 CYS H H 25 9.254 9.254 9.250 0.004 25460 103 1 . 1 1 26 26 VAL N N 26 126.290 126.290 124.105 2.185 25460 104 1 . 1 1 26 26 VAL HA H 26 4.382 4.382 4.421 -0.039 25460 105 1 . 1 1 26 26 VAL C C 26 174.520 174.520 174.772 -0.252 25460 106 1 . 1 1 26 26 VAL CA C 26 60.740 60.740 60.875 -0.135 25460 107 1 . 1 1 26 26 VAL CB C 26 32.380 32.380 32.405 -0.025 25460 108 1 . 1 1 26 26 VAL H H 26 9.512 9.512 9.039 0.473 25460 109 1 . 1 1 27 27 TYR N N 27 123.620 123.620 126.589 -2.969 25460 110 1 . 1 1 27 27 TYR HA H 27 5.144 5.144 5.536 -0.392 25460 111 1 . 1 1 27 27 TYR C C 27 175.400 175.400 175.286 0.114 25460 112 1 . 1 1 27 27 TYR CA C 27 57.100 57.100 55.941 1.159 25460 113 1 . 1 1 27 27 TYR CB C 27 40.860 40.860 40.623 0.237 25460 114 1 . 1 1 27 27 TYR H H 27 8.240 8.240 8.902 -0.662 25460 115 1 . 1 1 28 28 TYR N N 28 119.740 119.740 119.598 0.142 25460 116 1 . 1 1 28 28 TYR HA H 28 5.273 5.273 5.307 -0.034 25460 117 1 . 1 1 28 28 TYR C C 28 174.590 174.590 174.744 -0.154 25460 118 1 . 1 1 28 28 TYR CA C 28 56.900 56.900 56.297 0.603 25460 119 1 . 1 1 28 28 TYR CB C 28 44.090 44.090 42.776 1.314 25460 120 1 . 1 1 28 28 TYR H H 28 9.448 9.448 9.279 0.169 25460 121 1 . 1 1 29 29 ASP N N 29 118.650 118.650 122.852 -4.202 25460 122 1 . 1 1 29 29 ASP HA H 29 5.255 5.255 5.092 0.163 25460 123 1 . 1 1 29 29 ASP C C 29 177.670 177.670 175.957 1.713 25460 124 1 . 1 1 29 29 ASP CA C 29 52.800 52.800 54.055 -1.255 25460 125 1 . 1 1 29 29 ASP CB C 29 41.350 41.350 41.903 -0.553 25460 126 1 . 1 1 29 29 ASP H H 29 8.995 8.995 9.084 -0.089 25460 127 1 . 1 1 30 30 GLY N N 30 114.740 114.740 115.488 -0.748 25460 128 1 . 1 1 30 30 GLY C C 30 173.320 173.320 172.688 0.632 25460 129 1 . 1 1 30 30 GLY CA C 30 44.110 44.110 45.125 -1.015 25460 130 1 . 1 1 30 30 GLY H H 30 9.046 9.046 9.004 0.042 25460 131 1 . 1 1 31 31 HIS N N 31 113.880 113.880 116.977 -3.097 25460 132 1 . 1 1 31 31 HIS HA H 31 4.493 4.493 4.620 -0.127 25460 133 1 . 1 1 31 31 HIS C C 31 175.230 175.230 174.429 0.801 25460 134 1 . 1 1 31 31 HIS CA C 31 55.980 55.980 55.873 0.107 25460 135 1 . 1 1 31 31 HIS CB C 31 30.630 30.630 30.102 0.528 25460 136 1 . 1 1 31 31 HIS H H 31 8.306 8.306 8.516 -0.210 25460 137 1 . 1 1 32 32 LEU N N 32 124.060 124.060 122.772 1.288 25460 138 1 . 1 1 32 32 LEU HA H 32 4.824 4.824 4.640 0.184 25460 139 1 . 1 1 32 32 LEU C C 32 176.030 176.030 175.527 0.503 25460 140 1 . 1 1 32 32 LEU CA C 32 52.080 52.080 50.789 1.291 25460 141 1 . 1 1 32 32 LEU CB C 32 41.540 41.540 43.604 -2.064 25460 142 1 . 1 1 32 32 LEU H H 32 8.477 8.477 7.510 0.967 25460 143 1 . 1 1 33 33 PRO HA H 33 3.753 3.753 4.144 -0.391 25460 144 1 . 1 1 33 33 PRO C C 33 177.880 177.880 177.350 0.530 25460 145 1 . 1 1 33 33 PRO CA C 33 65.500 65.500 64.877 0.623 25460 146 1 . 1 1 33 33 PRO CB C 33 31.770 31.770 31.814 -0.044 25460 147 1 . 1 1 34 34 ALA N N 34 115.220 115.220 118.405 -3.185 25460 148 1 . 1 1 34 34 ALA HA H 34 4.193 4.193 4.290 -0.097 25460 149 1 . 1 1 34 34 ALA C C 34 179.120 179.120 178.400 0.720 25460 150 1 . 1 1 34 34 ALA CA C 34 54.610 54.610 53.768 0.842 25460 151 1 . 1 1 34 34 ALA CB C 34 19.430 19.430 19.020 0.410 25460 152 1 . 1 1 34 34 ALA H H 34 8.193 8.193 7.929 0.263 25460 153 1 . 1 1 35 35 THR N N 35 102.120 102.120 112.201 -10.081 25460 154 1 . 1 1 35 35 THR HA H 35 4.597 4.597 4.391 0.206 25460 155 1 . 1 1 35 35 THR C C 35 175.610 175.610 174.363 1.247 25460 156 1 . 1 1 35 35 THR CA C 35 60.400 60.400 61.591 -1.191 25460 157 1 . 1 1 35 35 THR CB C 35 70.550 70.550 69.493 1.057 25460 158 1 . 1 1 35 35 THR H H 35 7.187 7.187 7.709 -0.522 25460 159 1 . 1 1 36 36 ARG N N 36 122.520 122.520 122.289 0.231 25460 160 1 . 1 1 36 36 ARG HA H 36 4.763 4.763 4.637 0.126 25460 161 1 . 1 1 36 36 ARG C C 36 175.220 175.220 175.606 -0.386 25460 162 1 . 1 1 36 36 ARG CA C 36 56.090 56.090 55.026 1.064 25460 163 1 . 1 1 36 36 ARG CB C 36 29.880 29.880 30.641 -0.761 25460 164 1 . 1 1 36 36 ARG H H 36 7.918 7.918 7.552 0.366 25460 165 1 . 1 1 37 37 VAL N N 37 122.110 122.110 124.016 -1.906 25460 166 1 . 1 1 37 37 VAL HA H 37 4.341 4.341 4.317 0.024 25460 167 1 . 1 1 37 37 VAL C C 37 175.690 175.690 175.263 0.427 25460 168 1 . 1 1 37 37 VAL CA C 37 61.330 61.330 60.816 0.514 25460 169 1 . 1 1 37 37 VAL CB C 37 35.050 35.050 33.359 1.691 25460 170 1 . 1 1 37 37 VAL H H 37 8.603 8.603 8.794 -0.191 25460 171 1 . 1 1 38 38 LEU N N 38 130.470 130.470 129.728 0.742 25460 172 1 . 1 1 38 38 LEU HA H 38 3.769 3.769 4.056 -0.287 25460 173 1 . 1 1 38 38 LEU C C 38 176.510 176.510 175.945 0.565 25460 174 1 . 1 1 38 38 LEU CA C 38 57.370 57.370 56.244 1.126 25460 175 1 . 1 1 38 38 LEU CB C 38 41.820 41.820 41.480 0.340 25460 176 1 . 1 1 38 38 LEU H H 38 8.708 8.708 8.818 -0.110 25460 177 1 . 1 1 39 39 LEU N N 39 126.440 126.440 128.835 -2.395 25460 178 1 . 1 1 39 39 LEU HA H 39 4.627 4.627 4.383 0.244 25460 179 1 . 1 1 39 39 LEU C C 39 176.800 176.800 177.121 -0.321 25460 180 1 . 1 1 39 39 LEU CA C 39 55.730 55.730 56.002 -0.272 25460 181 1 . 1 1 39 39 LEU CB C 39 42.330 42.330 43.017 -0.687 25460 182 1 . 1 1 39 39 LEU H H 39 9.254 9.254 8.982 0.272 25460 183 1 . 1 1 40 40 MET N N 40 114.550 114.550 111.692 2.858 25460 184 1 . 1 1 40 40 MET HA H 40 4.471 4.471 4.630 -0.159 25460 185 1 . 1 1 40 40 MET C C 40 173.750 173.750 173.572 0.178 25460 186 1 . 1 1 40 40 MET CA C 40 56.040 56.040 54.823 1.217 25460 187 1 . 1 1 40 40 MET CB C 40 36.880 36.880 35.498 1.382 25460 188 1 . 1 1 40 40 MET H H 40 7.054 7.054 7.492 -0.438 25460 189 1 . 1 1 41 41 TYR N N 41 123.270 123.270 119.104 4.166 25460 190 1 . 1 1 41 41 TYR HA H 41 4.813 4.813 5.546 -0.733 25460 191 1 . 1 1 41 41 TYR C C 41 175.680 175.680 176.096 -0.416 25460 192 1 . 1 1 41 41 TYR CA C 41 57.940 57.940 57.075 0.865 25460 193 1 . 1 1 41 41 TYR CB C 41 39.460 39.460 39.693 -0.233 25460 194 1 . 1 1 41 41 TYR H H 41 8.563 8.563 8.454 0.109 25460 195 1 . 1 1 42 42 VAL N N 42 123.930 123.930 122.589 1.341 25460 196 1 . 1 1 42 42 VAL HA H 42 4.409 4.409 4.499 -0.090 25460 197 1 . 1 1 42 42 VAL C C 42 175.600 175.600 174.845 0.755 25460 198 1 . 1 1 42 42 VAL CA C 42 61.480 61.480 60.965 0.514 25460 199 1 . 1 1 42 42 VAL CB C 42 35.310 35.310 35.138 0.172 25460 200 1 . 1 1 42 42 VAL H H 42 9.442 9.442 9.301 0.141 25460 201 1 . 1 1 43 43 ARG N N 43 129.290 129.290 127.094 2.196 25460 202 1 . 1 1 43 43 ARG HA H 43 3.924 3.924 4.321 -0.397 25460 203 1 . 1 1 43 43 ARG C C 43 177.010 177.010 176.405 0.605 25460 204 1 . 1 1 43 43 ARG CA C 43 56.760 56.760 55.288 1.472 25460 205 1 . 1 1 43 43 ARG CB C 43 29.980 29.980 30.570 -0.590 25460 206 1 . 1 1 43 43 ARG H H 43 8.940 8.940 8.848 0.092 25460 207 1 . 1 1 44 44 ILE N N 44 128.260 128.260 126.410 1.850 25460 208 1 . 1 1 44 44 ILE HA H 44 3.686 3.686 3.838 -0.152 25460 209 1 . 1 1 44 44 ILE C C 44 177.020 177.020 176.667 0.353 25460 210 1 . 1 1 44 44 ILE CA C 44 64.930 64.930 62.592 2.338 25460 211 1 . 1 1 44 44 ILE CB C 44 37.240 37.240 36.111 1.129 25460 212 1 . 1 1 44 44 ILE H H 44 8.345 8.345 8.363 -0.018 25460 213 1 . 1 1 45 45 GLY N N 45 115.530 115.530 116.054 -0.524 25460 214 1 . 1 1 45 45 GLY C C 45 174.860 174.860 173.817 1.043 25460 215 1 . 1 1 45 45 GLY CA C 45 44.240 44.240 44.834 -0.594 25460 216 1 . 1 1 45 45 GLY H H 45 9.423 9.423 9.070 0.353 25460 217 1 . 1 1 46 46 THR N N 46 111.410 111.410 113.665 -2.255 25460 218 1 . 1 1 46 46 THR HA H 46 4.974 4.974 4.732 0.242 25460 219 1 . 1 1 46 46 THR C C 46 172.310 172.310 173.551 -1.241 25460 220 1 . 1 1 46 46 THR CA C 46 60.280 60.280 59.962 0.318 25460 221 1 . 1 1 46 46 THR CB C 46 72.160 72.160 71.232 0.928 25460 222 1 . 1 1 46 46 THR H H 46 7.925 7.925 7.926 -0.001 25460 223 1 . 1 1 47 47 THR N N 47 109.430 109.430 112.631 -3.201 25460 224 1 . 1 1 47 47 THR HA H 47 5.383 5.383 5.232 0.151 25460 225 1 . 1 1 47 47 THR C C 47 174.560 174.560 173.955 0.605 25460 226 1 . 1 1 47 47 THR CA C 47 59.240 59.240 60.227 -0.987 25460 227 1 . 1 1 47 47 THR CB C 47 71.840 71.840 70.716 1.124 25460 228 1 . 1 1 47 47 THR H H 47 7.784 7.784 8.274 -0.490 25460 229 1 . 1 1 48 48 ALA N N 48 122.630 122.630 124.492 -1.862 25460 230 1 . 1 1 48 48 ALA HA H 48 4.658 4.658 4.633 0.025 25460 231 1 . 1 1 48 48 ALA C C 48 175.620 175.620 175.280 0.340 25460 232 1 . 1 1 48 48 ALA CA C 48 51.600 51.600 51.706 -0.106 25460 233 1 . 1 1 48 48 ALA CB C 48 24.410 24.410 22.072 2.338 25460 234 1 . 1 1 48 48 ALA H H 48 8.681 8.681 8.905 -0.224 25460 235 1 . 1 1 49 49 THR N N 49 116.020 116.020 118.226 -2.206 25460 236 1 . 1 1 49 49 THR HA H 49 4.914 4.914 4.872 0.042 25460 237 1 . 1 1 49 49 THR C C 49 174.400 174.400 173.983 0.417 25460 238 1 . 1 1 49 49 THR CA C 49 62.320 62.320 61.988 0.332 25460 239 1 . 1 1 49 49 THR CB C 49 69.260 69.260 68.896 0.364 25460 240 1 . 1 1 49 49 THR H H 49 8.347 8.347 8.389 -0.042 25460 241 1 . 1 1 50 50 ILE N N 50 126.050 126.050 128.841 -2.791 25460 242 1 . 1 1 50 50 ILE HA H 50 4.436 4.436 4.291 0.145 25460 243 1 . 1 1 50 50 ILE C C 50 175.080 175.080 175.528 -0.448 25460 244 1 . 1 1 50 50 ILE CA C 50 59.510 59.510 58.928 0.582 25460 245 1 . 1 1 50 50 ILE CB C 50 40.670 40.670 39.014 1.656 25460 246 1 . 1 1 50 50 ILE H H 50 9.199 9.199 9.040 0.159 25460 247 1 . 1 1 51 51 THR N N 51 120.630 120.630 122.658 -2.028 25460 248 1 . 1 1 51 51 THR HA H 51 5.312 5.312 5.446 -0.134 25460 249 1 . 1 1 51 51 THR C C 51 174.250 174.250 173.307 0.943 25460 250 1 . 1 1 51 51 THR CA C 51 61.030 61.030 61.231 -0.201 25460 251 1 . 1 1 51 51 THR CB C 51 69.850 69.850 70.047 -0.198 25460 252 1 . 1 1 51 51 THR H H 51 8.500 8.500 8.590 -0.090 25460 253 1 . 1 1 52 52 ALA N N 52 127.710 127.710 127.583 0.127 25460 254 1 . 1 1 52 52 ALA HA H 52 4.711 4.711 4.909 -0.198 25460 255 1 . 1 1 52 52 ALA C C 52 176.530 176.530 176.856 -0.326 25460 256 1 . 1 1 52 52 ALA CA C 52 51.980 51.980 51.554 0.426 25460 257 1 . 1 1 52 52 ALA CB C 52 22.720 22.720 21.841 0.879 25460 258 1 . 1 1 52 52 ALA H H 52 9.202 9.202 9.206 -0.004 25460 259 1 . 1 1 53 53 ARG N N 53 118.780 118.780 122.267 -3.487 25460 260 1 . 1 1 53 53 ARG HA H 53 3.856 3.856 3.958 -0.102 25460 261 1 . 1 1 53 53 ARG C C 53 177.070 177.070 175.876 1.194 25460 262 1 . 1 1 53 53 ARG CA C 53 57.030 57.030 56.666 0.364 25460 263 1 . 1 1 53 53 ARG CB C 53 27.040 27.040 27.971 -0.931 25460 264 1 . 1 1 53 53 ARG H H 53 9.303 9.303 9.223 0.080 25460 265 1 . 1 1 54 54 GLY N N 54 104.070 104.070 103.292 0.778 25460 266 1 . 1 1 54 54 GLY C C 54 174.110 174.110 173.895 0.215 25460 267 1 . 1 1 54 54 GLY CA C 54 45.360 45.360 45.000 0.360 25460 268 1 . 1 1 54 54 GLY H H 54 8.714 8.714 8.420 0.294 25460 269 1 . 1 1 55 55 HIS N N 55 119.170 119.170 120.625 -1.455 25460 270 1 . 1 1 55 55 HIS HA H 55 4.776 4.776 4.534 0.242 25460 271 1 . 1 1 55 55 HIS C C 55 172.310 172.310 173.579 -1.269 25460 272 1 . 1 1 55 55 HIS CA C 55 54.030 54.030 55.318 -1.288 25460 273 1 . 1 1 55 55 HIS CB C 55 32.100 32.100 31.077 1.023 25460 274 1 . 1 1 55 55 HIS H H 55 8.227 8.227 8.211 0.016 25460 275 1 . 1 1 56 56 GLU N N 56 119.640 119.640 122.868 -3.228 25460 276 1 . 1 1 56 56 GLU HA H 56 5.087 5.087 5.056 0.031 25460 277 1 . 1 1 56 56 GLU C C 56 176.150 176.150 175.488 0.662 25460 278 1 . 1 1 56 56 GLU CA C 56 55.090 55.090 55.139 -0.049 25460 279 1 . 1 1 56 56 GLU CB C 56 31.780 31.780 30.691 1.089 25460 280 1 . 1 1 56 56 GLU H H 56 8.024 8.024 8.595 -0.571 25460 281 1 . 1 1 57 57 PHE N N 57 121.660 121.660 124.953 -3.293 25460 282 1 . 1 1 57 57 PHE HA H 57 4.774 4.774 4.721 0.054 25460 283 1 . 1 1 57 57 PHE C C 57 173.930 173.930 174.726 -0.796 25460 284 1 . 1 1 57 57 PHE CA C 57 56.470 56.470 56.674 -0.203 25460 285 1 . 1 1 57 57 PHE CB C 57 41.450 41.450 40.846 0.604 25460 286 1 . 1 1 57 57 PHE H H 57 9.219 9.219 9.251 -0.032 25460 287 1 . 1 1 58 58 GLU N N 58 125.630 125.630 126.692 -1.062 25460 288 1 . 1 1 58 58 GLU HA H 58 5.224 5.224 4.822 0.402 25460 289 1 . 1 1 58 58 GLU C C 58 175.820 175.820 175.783 0.037 25460 290 1 . 1 1 58 58 GLU CA C 58 55.460 55.460 55.391 0.069 25460 291 1 . 1 1 58 58 GLU CB C 58 29.950 29.950 30.024 -0.074 25460 292 1 . 1 1 58 58 GLU H H 58 8.597 8.597 8.984 -0.387 25460 293 1 . 1 1 59 59 VAL N N 59 120.690 120.690 121.500 -0.810 25460 294 1 . 1 1 59 59 VAL HA H 59 5.415 5.415 4.617 0.798 25460 295 1 . 1 1 59 59 VAL C C 59 174.790 174.790 173.968 0.822 25460 296 1 . 1 1 59 59 VAL CA C 59 58.550 58.550 59.652 -1.102 25460 297 1 . 1 1 59 59 VAL CB C 59 34.150 34.150 34.755 -0.605 25460 298 1 . 1 1 59 59 VAL H H 59 8.809 8.809 9.006 -0.197 25460 299 1 . 1 1 60 60 GLU N N 60 118.570 118.570 123.661 -5.091 25460 300 1 . 1 1 60 60 GLU HA H 60 4.617 4.617 4.787 -0.170 25460 301 1 . 1 1 60 60 GLU C C 60 176.050 176.050 175.439 0.611 25460 302 1 . 1 1 60 60 GLU CA C 60 54.180 54.180 54.175 0.005 25460 303 1 . 1 1 60 60 GLU CB C 60 32.050 32.050 32.448 -0.398 25460 304 1 . 1 1 60 60 GLU H H 60 8.024 8.024 8.783 -0.759 25460 305 1 . 1 1 61 61 ALA N N 61 132.630 132.630 131.555 1.075 25460 306 1 . 1 1 61 61 ALA HA H 61 4.699 4.699 4.620 0.079 25460 307 1 . 1 1 61 61 ALA C C 61 176.260 176.260 176.993 -0.733 25460 308 1 . 1 1 61 61 ALA CA C 61 50.520 50.520 51.475 -0.955 25460 309 1 . 1 1 61 61 ALA CB C 61 17.710 17.710 18.794 -1.084 25460 310 1 . 1 1 61 61 ALA H H 61 8.230 8.230 8.870 -0.640 25460 311 1 . 1 1 62 62 LYS N N 62 126.080 126.080 122.755 3.325 25460 312 1 . 1 1 62 62 LYS HA H 62 3.998 3.998 4.244 -0.246 25460 313 1 . 1 1 62 62 LYS C C 62 177.030 177.030 176.450 0.580 25460 314 1 . 1 1 62 62 LYS CA C 62 59.590 59.590 57.794 1.796 25460 315 1 . 1 1 62 62 LYS CB C 62 34.540 34.540 33.012 1.528 25460 316 1 . 1 1 62 62 LYS H H 62 9.070 9.070 8.039 1.031 25460 317 1 . 1 1 63 63 ASP N N 63 110.550 110.550 117.373 -6.823 25460 318 1 . 1 1 63 63 ASP HA H 63 4.386 4.386 4.792 -0.406 25460 319 1 . 1 1 63 63 ASP C C 63 175.810 175.810 176.402 -0.592 25460 320 1 . 1 1 63 63 ASP CA C 63 53.150 53.150 52.756 0.395 25460 321 1 . 1 1 63 63 ASP CB C 63 41.250 41.250 43.467 -2.217 25460 322 1 . 1 1 63 63 ASP H H 63 7.507 7.507 7.790 -0.283 25460 323 1 . 1 1 64 64 GLN N N 64 112.740 112.740 120.746 -8.006 25460 324 1 . 1 1 64 64 GLN HA H 64 4.100 4.100 4.156 -0.056 25460 325 1 . 1 1 64 64 GLN C C 64 175.950 175.950 175.946 0.004 25460 326 1 . 1 1 64 64 GLN CA C 64 57.690 57.690 57.497 0.193 25460 327 1 . 1 1 64 64 GLN CB C 64 27.840 27.840 28.246 -0.406 25460 328 1 . 1 1 64 64 GLN H H 64 8.410 8.410 8.727 -0.317 25460 329 1 . 1 1 65 65 ASN N N 65 117.790 117.790 116.905 0.885 25460 330 1 . 1 1 65 65 ASN HA H 65 4.579 4.579 4.778 -0.199 25460 331 1 . 1 1 65 65 ASN C C 65 177.250 177.250 174.923 2.327 25460 332 1 . 1 1 65 65 ASN CA C 65 55.120 55.120 53.522 1.598 25460 333 1 . 1 1 65 65 ASN CB C 65 37.910 37.910 39.819 -1.909 25460 334 1 . 1 1 65 65 ASN H H 65 8.747 8.747 8.183 0.564 25460 335 1 . 1 1 66 66 CYS N N 66 112.640 112.640 116.301 -3.661 25460 336 1 . 1 1 66 66 CYS HA H 66 4.425 4.425 4.179 0.246 25460 337 1 . 1 1 66 66 CYS C C 66 174.970 174.970 174.111 0.859 25460 338 1 . 1 1 66 66 CYS CA C 66 55.130 55.130 58.955 -3.825 25460 339 1 . 1 1 66 66 CYS CB C 66 36.160 36.160 24.696 11.464 25460 340 1 . 1 1 66 66 CYS H H 66 8.527 8.527 7.806 0.721 25460 341 1 . 1 1 67 67 LYS N N 67 116.240 116.240 121.318 -5.078 25460 342 1 . 1 1 67 67 LYS HA H 67 4.177 4.177 4.271 -0.094 25460 343 1 . 1 1 67 67 LYS C C 67 178.480 178.480 175.933 2.547 25460 344 1 . 1 1 67 67 LYS CA C 67 56.860 56.860 55.140 1.720 25460 345 1 . 1 1 67 67 LYS CB C 67 32.120 32.120 32.028 0.092 25460 346 1 . 1 1 67 67 LYS H H 67 8.014 8.014 8.046 -0.032 25460 347 1 . 1 1 68 68 VAL N N 68 126.980 126.980 127.180 -0.200 25460 348 1 . 1 1 68 68 VAL HA H 68 3.675 3.675 4.219 -0.544 25460 349 1 . 1 1 68 68 VAL C C 68 174.460 174.460 174.339 0.121 25460 350 1 . 1 1 68 68 VAL CA C 68 64.750 64.750 61.881 2.869 25460 351 1 . 1 1 68 68 VAL CB C 68 30.160 30.160 32.155 -1.996 25460 352 1 . 1 1 68 68 VAL H H 68 8.967 8.967 8.103 0.864 25460 353 1 . 1 1 69 69 ILE N N 69 132.540 132.540 128.878 3.662 25460 354 1 . 1 1 69 69 ILE HA H 69 4.179 4.179 4.587 -0.408 25460 355 1 . 1 1 69 69 ILE C C 69 175.060 175.060 175.120 -0.060 25460 356 1 . 1 1 69 69 ILE CA C 69 60.560 60.560 59.655 0.905 25460 357 1 . 1 1 69 69 ILE CB C 69 41.490 41.490 40.746 0.744 25460 358 1 . 1 1 69 69 ILE H H 69 8.689 8.689 7.841 0.848 25460 359 1 . 1 1 70 70 LEU N N 70 125.290 125.290 126.670 -1.380 25460 360 1 . 1 1 70 70 LEU HA H 70 5.298 5.298 4.791 0.507 25460 361 1 . 1 1 70 70 LEU C C 70 180.800 180.800 179.066 1.734 25460 362 1 . 1 1 70 70 LEU CA C 70 53.190 53.190 54.737 -1.547 25460 363 1 . 1 1 70 70 LEU CB C 70 41.150 41.150 42.877 -1.727 25460 364 1 . 1 1 70 70 LEU H H 70 8.829 8.829 9.235 -0.406 25460 365 1 . 1 1 71 71 THR N N 71 115.510 115.510 114.414 1.096 25460 366 1 . 1 1 71 71 THR HA H 71 4.094 4.094 4.190 -0.096 25460 367 1 . 1 1 71 71 THR C C 71 176.240 176.240 175.721 0.519 25460 368 1 . 1 1 71 71 THR CA C 71 63.950 63.950 65.012 -1.062 25460 369 1 . 1 1 71 71 THR CB C 71 68.280 68.280 68.629 -0.349 25460 370 1 . 1 1 71 71 THR H H 71 8.546 8.546 8.664 -0.118 25460 371 1 . 1 1 72 72 ASN N N 72 117.010 117.010 118.526 -1.516 25460 372 1 . 1 1 72 72 ASN HA H 72 4.564 4.564 4.747 -0.183 25460 373 1 . 1 1 72 72 ASN C C 72 177.340 177.340 175.912 1.428 25460 374 1 . 1 1 72 72 ASN CA C 72 52.710 52.710 53.347 -0.637 25460 375 1 . 1 1 72 72 ASN CB C 72 37.220 37.220 38.605 -1.385 25460 376 1 . 1 1 72 72 ASN H H 72 8.162 8.162 8.146 0.016 25460 377 1 . 1 1 73 73 GLY N N 73 106.660 106.660 107.425 -0.765 25460 378 1 . 1 1 73 73 GLY C C 73 175.020 175.020 173.735 1.285 25460 379 1 . 1 1 73 73 GLY CA C 73 45.700 45.700 45.353 0.346 25460 380 1 . 1 1 73 73 GLY H H 73 7.985 7.985 7.965 0.020 25460 381 1 . 1 1 74 74 LYS N N 74 120.730 120.730 119.881 0.849 25460 382 1 . 1 1 74 74 LYS HA H 74 4.298 4.298 4.570 -0.272 25460 383 1 . 1 1 74 74 LYS C C 74 175.720 175.720 175.943 -0.223 25460 384 1 . 1 1 74 74 LYS CA C 74 55.730 55.730 54.484 1.246 25460 385 1 . 1 1 74 74 LYS CB C 74 32.490 32.490 33.645 -1.155 25460 386 1 . 1 1 74 74 LYS H H 74 7.820 7.820 7.817 0.003 25460 387 1 . 1 1 75 75 GLN N N 75 119.590 119.590 121.075 -1.485 25460 388 1 . 1 1 75 75 GLN HA H 75 4.156 4.156 4.527 -0.371 25460 389 1 . 1 1 75 75 GLN C C 75 176.490 176.490 175.460 1.031 25460 390 1 . 1 1 75 75 GLN CA C 75 55.580 55.580 55.437 0.143 25460 391 1 . 1 1 75 75 GLN CB C 75 29.020 29.020 29.429 -0.409 25460 392 1 . 1 1 75 75 GLN H H 75 8.273 8.273 8.660 -0.387 25460 393 1 . 1 1 76 76 ALA N N 76 129.340 129.340 124.608 4.732 25460 394 1 . 1 1 76 76 ALA HA H 76 4.166 4.166 4.230 -0.064 25460 395 1 . 1 1 76 76 ALA C C 76 174.920 174.920 175.155 -0.235 25460 396 1 . 1 1 76 76 ALA CA C 76 50.080 50.080 50.779 -0.699 25460 397 1 . 1 1 76 76 ALA CB C 76 17.880 17.880 17.888 -0.008 25460 398 1 . 1 1 76 76 ALA H H 76 8.698 8.698 7.941 0.757 25460 399 1 . 1 1 77 77 PRO HA H 77 4.237 4.237 4.234 0.003 25460 400 1 . 1 1 77 77 PRO C C 77 178.170 178.170 176.901 1.269 25460 401 1 . 1 1 77 77 PRO CA C 77 62.170 62.170 62.136 0.034 25460 402 1 . 1 1 77 77 PRO CB C 77 31.470 31.470 31.535 -0.065 25460 403 1 . 1 1 78 78 ASP N N 78 121.040 121.040 120.252 0.788 25460 404 1 . 1 1 78 78 ASP HA H 78 4.217 4.217 4.283 -0.066 25460 405 1 . 1 1 78 78 ASP C C 78 176.610 176.610 176.732 -0.122 25460 406 1 . 1 1 78 78 ASP CA C 78 56.500 56.500 56.591 -0.091 25460 407 1 . 1 1 78 78 ASP CB C 78 40.530 40.530 40.676 -0.146 25460 408 1 . 1 1 78 78 ASP H H 78 8.607 8.607 8.540 0.067 25460 409 1 . 1 1 79 79 TRP N N 79 114.440 114.440 114.240 0.200 25460 410 1 . 1 1 79 79 TRP HA H 79 4.492 4.492 4.639 -0.147 25460 411 1 . 1 1 79 79 TRP C C 79 175.280 175.280 175.204 0.076 25460 412 1 . 1 1 79 79 TRP CA C 79 54.630 54.630 55.719 -1.089 25460 413 1 . 1 1 79 79 TRP CB C 79 29.140 29.140 29.161 -0.021 25460 414 1 . 1 1 79 79 TRP H H 79 6.768 6.768 7.493 -0.725 25460 415 1 . 1 1 80 80 LEU N N 80 123.450 123.450 124.043 -0.593 25460 416 1 . 1 1 80 80 LEU HA H 80 4.761 4.761 4.826 -0.065 25460 417 1 . 1 1 80 80 LEU C C 80 174.270 174.270 175.441 -1.171 25460 418 1 . 1 1 80 80 LEU CA C 80 54.850 54.850 53.625 1.225 25460 419 1 . 1 1 80 80 LEU CB C 80 41.890 41.890 41.508 0.382 25460 420 1 . 1 1 80 80 LEU H H 80 6.577 6.577 6.907 -0.330 25460 421 1 . 1 1 81 81 ALA N N 81 130.910 130.910 130.095 0.815 25460 422 1 . 1 1 81 81 ALA HA H 81 4.667 4.667 4.683 -0.016 25460 423 1 . 1 1 81 81 ALA C C 81 175.210 175.210 175.344 -0.134 25460 424 1 . 1 1 81 81 ALA CA C 81 50.310 50.310 50.680 -0.370 25460 425 1 . 1 1 81 81 ALA CB C 81 23.270 23.270 22.221 1.049 25460 426 1 . 1 1 81 81 ALA H H 81 9.037 9.037 8.894 0.143 25460 427 1 . 1 1 82 82 ALA N N 82 119.120 119.120 125.153 -6.033 25460 428 1 . 1 1 82 82 ALA HA H 82 5.677 5.677 5.182 0.495 25460 429 1 . 1 1 82 82 ALA C C 82 177.280 177.280 176.238 1.042 25460 430 1 . 1 1 82 82 ALA CA C 82 51.010 51.010 50.742 0.268 25460 431 1 . 1 1 82 82 ALA CB C 82 22.240 22.240 21.182 1.058 25460 432 1 . 1 1 82 82 ALA H H 82 8.159 8.159 8.375 -0.216 25460 433 1 . 1 1 83 83 GLU N N 83 116.910 116.910 122.394 -5.484 25460 434 1 . 1 1 83 83 GLU HA H 83 4.938 4.938 4.882 0.056 25460 435 1 . 1 1 83 83 GLU C C 83 172.560 172.560 174.283 -1.723 25460 436 1 . 1 1 83 83 GLU CA C 83 53.010 53.010 52.632 0.378 25460 437 1 . 1 1 83 83 GLU CB C 83 32.470 32.470 31.839 0.631 25460 438 1 . 1 1 83 83 GLU H H 83 8.614 8.614 8.570 0.044 25460 439 1 . 1 1 84 84 PRO HA H 84 5.513 5.513 4.585 0.928 25460 440 1 . 1 1 84 84 PRO C C 84 177.340 177.340 175.803 1.537 25460 441 1 . 1 1 84 84 PRO CA C 84 62.930 62.930 63.457 -0.527 25460 442 1 . 1 1 84 84 PRO CB C 84 32.420 32.420 32.004 0.416 25460 stop_ save_