data_18318 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18318 _Entry.PDB_ID 2LQL 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 18318 _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 15 15 CYS N N 12 117.500 117.500 120.820 -3.320 18318 2 1 1 . 1 1 15 15 CYS C C 12 175.500 175.500 176.238 -0.738 18318 3 1 1 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.141 -4.441 18318 4 1 1 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.269 6.431 18318 5 1 1 . 1 1 15 15 CYS H H 12 8.280 8.280 9.211 -0.931 18318 6 1 1 . 1 1 16 16 GLY N N 13 108.700 108.700 110.666 -1.966 18318 7 1 1 . 1 1 16 16 GLY C C 13 176.600 176.600 175.843 0.757 18318 8 1 1 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.590 0.310 18318 9 1 1 . 1 1 16 16 GLY H H 13 8.080 8.080 8.915 -0.835 18318 10 1 1 . 1 1 17 17 ARG N N 14 123.300 123.300 120.880 2.420 18318 11 1 1 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.211 -0.251 18318 12 1 1 . 1 1 17 17 ARG C C 14 179.300 179.300 177.610 1.690 18318 13 1 1 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.117 1.083 18318 14 1 1 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.447 0.653 18318 15 1 1 . 1 1 17 17 ARG H H 14 8.630 8.630 8.529 0.101 18318 16 1 1 . 1 1 18 18 GLU N N 15 121.900 121.900 119.158 2.742 18318 17 1 1 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.328 -0.158 18318 18 1 1 . 1 1 18 18 GLU C C 15 177.900 177.900 178.294 -0.394 18318 19 1 1 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.805 2.295 18318 20 1 1 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.827 -1.627 18318 21 1 1 . 1 1 18 18 GLU H H 15 9.670 9.670 7.590 2.080 18318 22 1 1 . 1 1 19 19 LEU N N 16 119.400 119.400 120.486 -1.086 18318 23 1 1 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.496 2.404 18318 24 1 1 . 1 1 19 19 LEU H H 16 8.090 8.090 8.061 0.029 18318 25 1 1 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.964 -0.284 18318 26 1 1 . 1 1 20 20 GLU C C 17 177.200 177.200 179.176 -1.976 18318 27 1 1 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.366 -0.066 18318 28 1 1 . 1 1 20 20 GLU CB C 17 29.000 29.000 28.817 0.183 18318 29 1 1 . 1 1 21 21 GLN N N 18 118.500 118.500 118.938 -0.438 18318 30 1 1 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.092 -0.052 18318 31 1 1 . 1 1 21 21 GLN C C 18 177.200 177.200 178.197 -0.997 18318 32 1 1 . 1 1 21 21 GLN CA C 18 59.000 59.000 59.530 -0.530 18318 33 1 1 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.939 -0.239 18318 34 1 1 . 1 1 21 21 GLN H H 18 8.560 8.560 7.800 0.760 18318 35 1 1 . 1 1 22 22 TYR N N 19 120.700 120.700 121.240 -0.540 18318 36 1 1 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.654 -0.374 18318 37 1 1 . 1 1 22 22 TYR C C 19 176.600 176.600 178.132 -1.532 18318 38 1 1 . 1 1 22 22 TYR CA C 19 62.100 62.100 61.109 0.991 18318 39 1 1 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.279 0.622 18318 40 1 1 . 1 1 22 22 TYR H H 19 8.120 8.120 7.989 0.131 18318 41 1 1 . 1 1 23 23 GLY N N 20 105.600 105.600 104.606 0.994 18318 42 1 1 . 1 1 23 23 GLY C C 20 176.700 176.700 176.597 0.103 18318 43 1 1 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.032 0.068 18318 44 1 1 . 1 1 23 23 GLY H H 20 8.390 8.390 8.755 -0.365 18318 45 1 1 . 1 1 24 24 GLN N N 21 120.300 120.300 121.151 -0.851 18318 46 1 1 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.320 -0.270 18318 47 1 1 . 1 1 24 24 GLN C C 21 178.000 178.000 178.353 -0.353 18318 48 1 1 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.868 -0.268 18318 49 1 1 . 1 1 24 24 GLN CB C 21 27.600 27.600 29.013 -1.413 18318 50 1 1 . 1 1 24 24 GLN H H 21 8.130 8.130 7.591 0.539 18318 51 1 1 . 1 1 25 25 CYS N N 22 121.500 121.500 119.112 2.388 18318 52 1 1 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.694 -0.414 18318 53 1 1 . 1 1 25 25 CYS C C 22 175.400 175.400 177.757 -2.357 18318 54 1 1 . 1 1 25 25 CYS CA C 22 60.600 60.600 61.986 -1.386 18318 55 1 1 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.443 13.457 18318 56 1 1 . 1 1 25 25 CYS H H 22 7.610 7.610 8.426 -0.816 18318 57 1 1 . 1 1 26 26 VAL N N 23 119.900 119.900 119.636 0.264 18318 58 1 1 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.034 -0.244 18318 59 1 1 . 1 1 26 26 VAL C C 23 177.100 177.100 177.360 -0.260 18318 60 1 1 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.620 0.280 18318 61 1 1 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.170 -1.870 18318 62 1 1 . 1 1 26 26 VAL H H 23 8.040 8.040 8.340 -0.300 18318 63 1 1 . 1 1 27 27 ALA N N 24 117.400 117.400 121.789 -4.389 18318 64 1 1 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.078 0.022 18318 65 1 1 . 1 1 27 27 ALA C C 24 178.600 178.600 179.382 -0.782 18318 66 1 1 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.599 -0.499 18318 67 1 1 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.734 -0.834 18318 68 1 1 . 1 1 27 27 ALA H H 24 7.430 7.430 7.427 0.003 18318 69 1 1 . 1 1 28 28 ALA N N 25 116.100 116.100 120.924 -4.824 18318 70 1 1 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.118 0.212 18318 71 1 1 . 1 1 28 28 ALA C C 25 178.100 178.100 177.883 0.217 18318 72 1 1 . 1 1 28 28 ALA CA C 25 52.600 52.600 54.008 -1.408 18318 73 1 1 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.422 -0.322 18318 74 1 1 . 1 1 28 28 ALA H H 25 7.120 7.120 7.682 -0.562 18318 75 1 1 . 1 1 29 29 LYS N N 26 119.200 119.200 113.139 6.061 18318 76 1 1 . 1 1 29 29 LYS CA C 26 58.700 58.700 52.989 5.711 18318 77 1 1 . 1 1 29 29 LYS CB C 26 32.100 32.100 33.085 -0.985 18318 78 1 1 . 1 1 29 29 LYS H H 26 7.560 7.560 7.397 0.163 18318 79 1 1 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.271 -0.061 18318 80 1 1 . 1 1 30 30 PRO C C 27 177.000 177.000 178.971 -1.971 18318 81 1 1 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.515 0.385 18318 82 1 1 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.213 -0.613 18318 83 1 1 . 1 1 31 31 GLU N N 28 114.600 114.600 118.829 -4.229 18318 84 1 1 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.328 0.122 18318 85 1 1 . 1 1 31 31 GLU C C 28 176.100 176.100 178.456 -2.356 18318 86 1 1 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.290 -1.090 18318 87 1 1 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.351 0.249 18318 88 1 1 . 1 1 31 31 GLU H H 28 8.770 8.770 8.696 0.074 18318 89 1 1 . 1 1 32 32 SER N N 29 111.000 111.000 115.487 -4.487 18318 90 1 1 . 1 1 32 32 SER HA H 29 4.510 4.510 4.230 0.280 18318 91 1 1 . 1 1 32 32 SER C C 29 176.600 176.600 176.081 0.519 18318 92 1 1 . 1 1 32 32 SER CA C 29 58.500 58.500 60.703 -2.203 18318 93 1 1 . 1 1 32 32 SER CB C 29 63.800 63.800 62.510 1.290 18318 94 1 1 . 1 1 32 32 SER H H 29 7.750 7.750 8.374 -0.624 18318 95 1 1 . 1 1 33 33 TRP N N 30 125.000 125.000 123.640 1.360 18318 96 1 1 . 1 1 33 33 TRP C C 30 177.200 177.200 177.748 -0.548 18318 97 1 1 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.659 -0.659 18318 98 1 1 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.960 0.540 18318 99 1 1 . 1 1 33 33 TRP H H 30 7.820 7.820 7.573 0.247 18318 100 1 1 . 1 1 34 34 GLN N N 31 123.600 123.600 116.874 6.726 18318 101 1 1 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.733 0.717 18318 102 1 1 . 1 1 34 34 GLN C C 31 176.800 176.800 177.706 -0.906 18318 103 1 1 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.587 2.313 18318 104 1 1 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.874 -2.374 18318 105 1 1 . 1 1 34 34 GLN H H 31 8.240 8.240 7.485 0.755 18318 106 1 1 . 1 1 35 35 ARG N N 32 115.900 115.900 119.968 -4.068 18318 107 1 1 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.015 0.265 18318 108 1 1 . 1 1 35 35 ARG C C 32 178.900 178.900 178.392 0.508 18318 109 1 1 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.020 -1.620 18318 110 1 1 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.057 1.243 18318 111 1 1 . 1 1 35 35 ARG H H 32 7.450 7.450 7.532 -0.082 18318 112 1 1 . 1 1 36 36 ASP N N 33 117.700 117.700 119.370 -1.670 18318 113 1 1 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.501 -0.361 18318 114 1 1 . 1 1 36 36 ASP C C 33 177.600 177.600 177.124 0.476 18318 115 1 1 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.744 0.456 18318 116 1 1 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.035 -0.135 18318 117 1 1 . 1 1 36 36 ASP H H 33 8.760 8.760 8.468 0.292 18318 118 1 1 . 1 1 37 37 CYS N N 34 113.300 113.300 116.702 -3.402 18318 119 1 1 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.640 0.760 18318 120 1 1 . 1 1 37 37 CYS C C 34 175.800 175.800 174.979 0.821 18318 121 1 1 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.342 -3.242 18318 122 1 1 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.916 13.584 18318 123 1 1 . 1 1 37 37 CYS H H 34 8.260 8.260 7.616 0.644 18318 124 1 1 . 1 1 38 38 HIS N N 35 124.200 124.200 123.973 0.227 18318 125 1 1 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.289 0.061 18318 126 1 1 . 1 1 38 38 HIS C C 35 177.400 177.400 175.799 1.601 18318 127 1 1 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.682 2.318 18318 128 1 1 . 1 1 38 38 HIS CB C 35 30.600 30.600 29.504 1.096 18318 129 1 1 . 1 1 38 38 HIS H H 35 7.520 7.520 7.992 -0.472 18318 130 1 1 . 1 1 39 39 TYR N N 36 117.100 117.100 120.342 -3.242 18318 131 1 1 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.248 0.052 18318 132 1 1 . 1 1 39 39 TYR C C 36 177.700 177.700 177.496 0.204 18318 133 1 1 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.191 -0.591 18318 134 1 1 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.210 -2.010 18318 135 1 1 . 1 1 39 39 TYR H H 36 8.930 8.930 7.512 1.418 18318 136 1 1 . 1 1 40 40 LEU N N 37 122.000 122.000 117.868 4.132 18318 137 1 1 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.006 0.164 18318 138 1 1 . 1 1 40 40 LEU C C 37 179.400 179.400 178.772 0.628 18318 139 1 1 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.301 -0.801 18318 140 1 1 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.146 1.254 18318 141 1 1 . 1 1 40 40 LEU H H 37 6.940 6.940 8.078 -1.138 18318 142 1 1 . 1 1 41 41 LYS N N 38 125.300 125.300 119.887 5.413 18318 143 1 1 . 1 1 41 41 LYS C C 38 179.600 179.600 178.049 1.551 18318 144 1 1 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.008 0.592 18318 145 1 1 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.276 -0.276 18318 146 1 1 . 1 1 41 41 LYS H H 38 7.880 7.880 7.783 0.097 18318 147 1 1 . 1 1 42 42 MET N N 39 117.600 117.600 118.251 -0.651 18318 148 1 1 . 1 1 42 42 MET HA H 39 4.120 4.120 4.347 -0.227 18318 149 1 1 . 1 1 42 42 MET C C 39 178.900 178.900 178.479 0.421 18318 150 1 1 . 1 1 42 42 MET CA C 39 57.200 57.200 58.051 -0.851 18318 151 1 1 . 1 1 42 42 MET CB C 39 30.000 30.000 32.184 -2.184 18318 152 1 1 . 1 1 42 42 MET H H 39 8.090 8.090 7.751 0.339 18318 153 1 1 . 1 1 43 43 SER N N 40 115.900 115.900 116.514 -0.614 18318 154 1 1 . 1 1 43 43 SER HA H 40 4.290 4.290 4.374 -0.084 18318 155 1 1 . 1 1 43 43 SER C C 40 177.400 177.400 176.913 0.487 18318 156 1 1 . 1 1 43 43 SER CA C 40 61.700 61.700 61.622 0.078 18318 157 1 1 . 1 1 43 43 SER CB C 40 62.500 62.500 63.490 -0.990 18318 158 1 1 . 1 1 43 43 SER H H 40 7.600 7.600 7.574 0.026 18318 159 1 1 . 1 1 44 44 ILE N N 41 121.900 121.900 118.317 3.583 18318 160 1 1 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.014 -0.474 18318 161 1 1 . 1 1 44 44 ILE C C 41 177.500 177.500 177.386 0.114 18318 162 1 1 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.510 1.590 18318 163 1 1 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.706 0.194 18318 164 1 1 . 1 1 44 44 ILE H H 41 7.540 7.540 8.459 -0.919 18318 165 1 1 . 1 1 45 45 ALA N N 42 122.600 122.600 122.465 0.135 18318 166 1 1 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.138 0.042 18318 167 1 1 . 1 1 45 45 ALA C C 42 180.200 180.200 179.866 0.334 18318 168 1 1 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.935 -0.135 18318 169 1 1 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.571 -1.271 18318 170 1 1 . 1 1 45 45 ALA H H 42 7.420 7.420 8.086 -0.666 18318 171 1 1 . 1 1 46 46 GLN N N 43 118.400 118.400 117.287 1.113 18318 172 1 1 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.208 -0.238 18318 173 1 1 . 1 1 46 46 GLN C C 43 178.500 178.500 177.950 0.550 18318 174 1 1 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.449 0.251 18318 175 1 1 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.659 -0.859 18318 176 1 1 . 1 1 46 46 GLN H H 43 8.290 8.290 7.704 0.586 18318 177 1 1 . 1 1 47 47 CYS N N 44 119.500 119.500 120.186 -0.686 18318 178 1 1 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.172 -0.082 18318 179 1 1 . 1 1 47 47 CYS C C 44 176.500 176.500 176.862 -0.362 18318 180 1 1 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.924 -2.624 18318 181 1 1 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.080 13.820 18318 182 1 1 . 1 1 47 47 CYS H H 44 7.590 7.590 7.927 -0.337 18318 183 1 1 . 1 1 48 48 THR N N 45 113.000 113.000 113.353 -0.353 18318 184 1 1 . 1 1 48 48 THR C C 45 175.900 175.900 176.012 -0.112 18318 185 1 1 . 1 1 48 48 THR CA C 45 65.400 65.400 64.709 0.691 18318 186 1 1 . 1 1 48 48 THR CB C 45 68.800 68.800 68.526 0.274 18318 187 1 1 . 1 1 48 48 THR H H 45 8.810 8.810 7.979 0.831 18318 188 1 1 . 1 1 49 49 SER N N 46 113.200 113.200 115.555 -2.355 18318 189 1 1 . 1 1 49 49 SER HA H 46 4.380 4.380 4.362 0.018 18318 190 1 1 . 1 1 49 49 SER C C 46 175.600 175.600 175.177 0.423 18318 191 1 1 . 1 1 49 49 SER CA C 46 60.000 60.000 60.662 -0.662 18318 192 1 1 . 1 1 49 49 SER CB C 46 63.900 63.900 63.840 0.060 18318 193 1 1 . 1 1 49 49 SER H H 46 7.890 7.890 7.743 0.147 18318 194 1 1 . 1 1 50 50 SER N N 47 114.100 114.100 114.515 -0.415 18318 195 1 1 . 1 1 50 50 SER HA H 47 4.390 4.390 4.560 -0.170 18318 196 1 1 . 1 1 50 50 SER CA C 47 59.100 59.100 59.253 -0.153 18318 197 1 1 . 1 1 50 50 SER CB C 47 64.800 64.800 64.287 0.513 18318 198 1 1 . 1 1 50 50 SER H H 47 7.770 7.770 8.177 -0.407 18318 199 1 1 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.036 0.554 18318 200 1 1 . 1 1 55 55 ARG C C 52 178.500 178.500 178.274 0.226 18318 201 1 1 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.731 1.269 18318 202 1 1 . 1 1 56 56 GLN N N 53 117.700 117.700 118.618 -0.918 18318 203 1 1 . 1 1 56 56 GLN C C 53 175.000 175.000 178.224 -3.224 18318 204 1 1 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.654 0.546 18318 205 1 1 . 1 1 56 56 GLN H H 53 8.110 8.110 8.807 -0.697 18318 206 1 1 . 1 1 57 57 ILE N N 54 121.200 121.200 117.040 4.160 18318 207 1 1 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.789 -0.469 18318 208 1 1 . 1 1 57 57 ILE C C 54 178.700 178.700 177.735 0.965 18318 209 1 1 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.937 2.063 18318 210 1 1 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.761 -0.061 18318 211 1 1 . 1 1 57 57 ILE H H 54 7.820 7.820 7.449 0.371 18318 212 1 1 . 1 1 58 58 ARG N N 55 118.900 118.900 119.411 -0.511 18318 213 1 1 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.999 0.311 18318 214 1 1 . 1 1 58 58 ARG C C 55 178.600 178.600 178.404 0.196 18318 215 1 1 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.738 1.162 18318 216 1 1 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.916 1.584 18318 217 1 1 . 1 1 58 58 ARG H H 55 8.250 8.250 7.278 0.972 18318 218 1 1 . 1 1 59 59 GLN N N 56 115.800 115.800 118.442 -2.642 18318 219 1 1 . 1 1 59 59 GLN C C 56 178.100 178.100 176.884 1.216 18318 220 1 1 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.269 -0.269 18318 221 1 1 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.813 -0.013 18318 222 1 1 . 1 1 59 59 GLN H H 56 7.920 7.920 8.192 -0.272 18318 223 1 1 . 1 1 60 60 ALA N N 57 121.600 121.600 119.312 2.288 18318 224 1 1 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.300 -0.120 18318 225 1 1 . 1 1 60 60 ALA C C 57 179.600 179.600 178.700 0.900 18318 226 1 1 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.349 1.151 18318 227 1 1 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.338 -0.438 18318 228 1 1 . 1 1 60 60 ALA H H 57 8.490 8.490 7.654 0.836 18318 229 1 1 . 1 1 61 61 CYS N N 58 114.000 114.000 118.065 -4.065 18318 230 1 1 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.412 0.718 18318 231 1 1 . 1 1 61 61 CYS C C 58 175.000 175.000 174.198 0.802 18318 232 1 1 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.980 -7.280 18318 233 1 1 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.694 15.106 18318 234 1 1 . 1 1 61 61 CYS H H 58 8.370 8.370 7.644 0.726 18318 235 1 1 . 1 1 62 62 ALA N N 59 124.900 124.900 127.366 -2.466 18318 236 1 1 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.446 -0.176 18318 237 1 1 . 1 1 62 62 ALA C C 59 179.200 179.200 178.712 0.488 18318 238 1 1 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.255 3.245 18318 239 1 1 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.921 -1.121 18318 240 1 1 . 1 1 62 62 ALA H H 59 7.200 7.200 7.958 -0.758 18318 241 1 1 . 1 1 63 63 GLN N N 60 115.800 115.800 119.753 -3.953 18318 242 1 1 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.011 0.469 18318 243 1 1 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.037 0.163 18318 244 1 1 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.971 -2.271 18318 245 1 1 . 1 1 63 63 GLN H H 60 9.040 9.040 8.800 0.240 18318 246 1 1 . 1 1 64 64 PRO C C 61 179.700 179.700 177.692 2.008 18318 247 1 1 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.296 0.304 18318 248 1 1 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.150 -0.350 18318 249 1 1 . 1 1 65 65 PHE N N 62 120.500 120.500 118.095 2.405 18318 250 1 1 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.296 -0.016 18318 251 1 1 . 1 1 65 65 PHE C C 62 176.400 176.400 176.670 -0.270 18318 252 1 1 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.109 3.291 18318 253 1 1 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.852 -0.252 18318 254 1 1 . 1 1 65 65 PHE H H 62 8.500 8.500 8.171 0.329 18318 255 1 1 . 1 1 66 66 GLU N N 63 120.200 120.200 120.863 -0.663 18318 256 1 1 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.498 0.532 18318 257 1 1 . 1 1 66 66 GLU C C 63 179.300 179.300 178.005 1.295 18318 258 1 1 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.597 -0.397 18318 259 1 1 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.420 -0.920 18318 260 1 1 . 1 1 66 66 GLU H H 63 8.900 8.900 8.289 0.611 18318 261 1 1 . 1 1 67 67 ALA N N 64 120.600 120.600 121.768 -1.168 18318 262 1 1 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.946 -0.076 18318 263 1 1 . 1 1 67 67 ALA C C 64 180.500 180.500 179.983 0.517 18318 264 1 1 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.804 -0.104 18318 265 1 1 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.104 -0.004 18318 266 1 1 . 1 1 67 67 ALA H H 64 8.150 8.150 7.262 0.888 18318 267 1 1 . 1 1 68 68 PHE N N 65 120.000 120.000 116.824 3.176 18318 268 1 1 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.286 0.034 18318 269 1 1 . 1 1 68 68 PHE C C 65 175.400 175.400 177.767 -2.367 18318 270 1 1 . 1 1 68 68 PHE CA C 65 59.800 59.800 58.698 1.102 18318 271 1 1 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.952 0.048 18318 272 1 1 . 1 1 68 68 PHE H H 65 7.810 7.810 7.177 0.633 18318 273 1 1 . 1 1 69 69 GLU N N 66 119.400 119.400 119.863 -0.463 18318 274 1 1 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.887 0.283 18318 275 1 1 . 1 1 69 69 GLU C C 66 178.800 178.800 178.784 0.016 18318 276 1 1 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.126 1.074 18318 277 1 1 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.665 0.435 18318 278 1 1 . 1 1 69 69 GLU H H 66 8.330 8.330 8.351 -0.021 18318 279 1 1 . 1 1 70 70 GLU N N 67 118.600 118.600 118.821 -0.221 18318 280 1 1 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.081 -0.111 18318 281 1 1 . 1 1 70 70 GLU C C 67 177.700 177.700 178.588 -0.888 18318 282 1 1 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.950 -0.150 18318 283 1 1 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.769 -1.069 18318 284 1 1 . 1 1 70 70 GLU H H 67 8.240 8.240 8.400 -0.160 18318 285 1 1 . 1 1 71 71 CYS N N 68 119.100 119.100 118.836 0.264 18318 286 1 1 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.187 -0.107 18318 287 1 1 . 1 1 71 71 CYS C C 68 177.900 177.900 177.521 0.379 18318 288 1 1 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.363 -2.763 18318 289 1 1 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.445 12.555 18318 290 1 1 . 1 1 71 71 CYS H H 68 7.580 7.580 7.792 -0.212 18318 291 1 1 . 1 1 72 72 LEU N N 69 122.000 122.000 118.948 3.052 18318 292 1 1 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.256 -0.556 18318 293 1 1 . 1 1 72 72 LEU C C 69 179.300 179.300 178.901 0.399 18318 294 1 1 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.317 0.283 18318 295 1 1 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.557 -0.557 18318 296 1 1 . 1 1 72 72 LEU H H 69 8.090 8.090 7.744 0.346 18318 297 1 1 . 1 1 73 73 ARG N N 70 117.400 117.400 119.218 -1.818 18318 298 1 1 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.933 0.077 18318 299 1 1 . 1 1 73 73 ARG C C 70 178.500 178.500 178.215 0.285 18318 300 1 1 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.960 -0.260 18318 301 1 1 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.111 -0.011 18318 302 1 1 . 1 1 73 73 ARG H H 70 7.600 7.600 7.726 -0.126 18318 303 1 1 . 1 1 74 74 GLN N N 71 115.800 115.800 115.001 0.799 18318 304 1 1 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.445 -0.155 18318 305 1 1 . 1 1 74 74 GLN C C 71 176.200 176.200 175.277 0.923 18318 306 1 1 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.105 0.295 18318 307 1 1 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.473 -1.273 18318 308 1 1 . 1 1 74 74 GLN H H 71 7.580 7.580 7.661 -0.081 18318 309 1 1 . 1 1 75 75 ASN N N 72 118.600 118.600 118.138 0.462 18318 310 1 1 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.934 0.056 18318 311 1 1 . 1 1 75 75 ASN C C 72 174.800 174.800 174.237 0.563 18318 312 1 1 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.959 0.041 18318 313 1 1 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.579 1.221 18318 314 1 1 . 1 1 75 75 ASN H H 72 7.750 7.750 7.775 -0.025 18318 315 1 1 . 1 1 76 76 GLU N N 73 120.200 120.200 119.657 0.543 18318 316 1 1 . 1 1 76 76 GLU HA H 73 3.960 3.960 4.000 -0.040 18318 317 1 1 . 1 1 76 76 GLU C C 73 176.800 176.800 177.757 -0.957 18318 318 1 1 . 1 1 76 76 GLU CA C 73 59.200 59.200 58.721 0.479 18318 319 1 1 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.184 -0.084 18318 320 1 1 . 1 1 76 76 GLU H H 73 7.950 7.950 8.013 -0.063 18318 321 1 1 . 1 1 77 77 ALA N N 74 119.200 119.200 121.341 -2.141 18318 322 1 1 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.426 -0.066 18318 323 1 1 . 1 1 77 77 ALA C C 74 175.400 175.400 177.777 -2.377 18318 324 1 1 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.576 -0.476 18318 325 1 1 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.397 -0.197 18318 326 1 1 . 1 1 77 77 ALA H H 74 8.320 8.320 8.232 0.088 18318 327 1 1 . 1 1 78 78 ALA N N 75 124.400 124.400 121.105 3.295 18318 328 1 1 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.447 -0.067 18318 329 1 1 . 1 1 78 78 ALA C C 75 177.200 177.200 178.201 -1.001 18318 330 1 1 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.767 -0.367 18318 331 1 1 . 1 1 78 78 ALA CB C 75 18.000 18.000 18.100 -0.100 18318 332 1 1 . 1 1 78 78 ALA H H 75 7.900 7.900 7.310 0.590 18318 333 1 1 . 1 1 79 79 VAL N N 76 118.400 118.400 118.860 -0.460 18318 334 1 1 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.935 -0.145 18318 335 1 1 . 1 1 79 79 VAL CA C 76 65.100 65.100 65.121 -0.021 18318 336 1 1 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.208 0.092 18318 337 1 1 . 1 1 79 79 VAL H H 76 8.100 8.100 7.821 0.279 18318 338 1 1 . 1 1 80 80 GLY C C 77 175.900 175.900 175.477 0.423 18318 339 1 1 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.707 -0.307 18318 340 1 1 . 1 1 81 81 ASN N N 78 119.300 119.300 118.603 0.697 18318 341 1 1 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.797 -0.197 18318 342 1 1 . 1 1 81 81 ASN C C 78 176.700 176.700 175.080 1.620 18318 343 1 1 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.890 -0.390 18318 344 1 1 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.154 -2.854 18318 345 1 1 . 1 1 81 81 ASN H H 78 8.200 8.200 7.922 0.278 18318 346 1 1 . 1 1 82 82 CYS N N 79 117.200 117.200 116.171 1.029 18318 347 1 1 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.846 0.554 18318 348 1 1 . 1 1 82 82 CYS C C 79 175.800 175.800 173.037 2.763 18318 349 1 1 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.820 -2.320 18318 350 1 1 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.187 9.113 18318 351 1 1 . 1 1 82 82 CYS H H 79 8.330 8.330 7.667 0.663 18318 352 1 1 . 1 1 83 83 ALA N N 80 125.000 125.000 124.752 0.248 18318 353 1 1 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.699 -0.549 18318 354 1 1 . 1 1 83 83 ALA C C 80 179.900 179.900 177.378 2.522 18318 355 1 1 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.525 5.675 18318 356 1 1 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.479 -1.279 18318 357 1 1 . 1 1 83 83 ALA H H 80 7.700 7.700 8.502 -0.802 18318 358 1 1 . 1 1 84 84 GLU N N 81 118.900 118.900 126.576 -7.676 18318 359 1 1 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.808 0.142 18318 360 1 1 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.451 -0.451 18318 361 1 1 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.204 -0.304 18318 362 1 1 . 1 1 84 84 GLU H H 81 8.920 8.920 8.937 -0.017 18318 363 1 1 . 1 1 85 85 HIS C C 82 178.500 178.500 177.321 1.179 18318 364 1 1 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.783 -3.683 18318 365 1 1 . 1 1 86 86 MET N N 83 118.800 118.800 117.941 0.859 18318 366 1 1 . 1 1 86 86 MET C C 83 177.200 177.200 178.793 -1.593 18318 367 1 1 . 1 1 86 86 MET CA C 83 58.900 58.900 58.608 0.292 18318 368 1 1 . 1 1 86 86 MET CB C 83 31.300 31.300 32.351 -1.051 18318 369 1 1 . 1 1 86 86 MET H H 83 7.460 7.460 8.383 -0.923 18318 370 1 1 . 1 1 87 87 ARG N N 84 119.500 119.500 119.216 0.284 18318 371 1 1 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.941 -0.031 18318 372 1 1 . 1 1 87 87 ARG C C 84 178.600 178.600 178.045 0.555 18318 373 1 1 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.763 1.137 18318 374 1 1 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.090 0.410 18318 375 1 1 . 1 1 87 87 ARG H H 84 8.220 8.220 8.292 -0.072 18318 376 1 1 . 1 1 88 88 ARG N N 85 117.900 117.900 119.525 -1.625 18318 377 1 1 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.298 -0.378 18318 378 1 1 . 1 1 88 88 ARG C C 85 179.700 179.700 178.434 1.266 18318 379 1 1 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.677 -0.177 18318 380 1 1 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.202 -0.202 18318 381 1 1 . 1 1 88 88 ARG H H 85 8.100 8.100 8.098 0.002 18318 382 1 1 . 1 1 89 89 PHE N N 86 119.700 119.700 119.981 -0.281 18318 383 1 1 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.246 0.104 18318 384 1 1 . 1 1 89 89 PHE C C 86 175.600 175.600 177.122 -1.522 18318 385 1 1 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.630 -0.530 18318 386 1 1 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.165 -1.365 18318 387 1 1 . 1 1 89 89 PHE H H 86 7.930 7.930 8.317 -0.387 18318 388 1 1 . 1 1 90 90 LEU N N 87 120.400 120.400 118.606 1.794 18318 389 1 1 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.014 -0.304 18318 390 1 1 . 1 1 90 90 LEU C C 87 179.200 179.200 178.713 0.487 18318 391 1 1 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.114 0.586 18318 392 1 1 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.968 -1.668 18318 393 1 1 . 1 1 90 90 LEU H H 87 8.640 8.640 7.532 1.108 18318 394 1 1 . 1 1 91 91 GLN N N 88 118.200 118.200 119.492 -1.292 18318 395 1 1 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.205 -0.165 18318 396 1 1 . 1 1 91 91 GLN C C 88 178.000 178.000 178.526 -0.526 18318 397 1 1 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.671 0.029 18318 398 1 1 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.550 -0.550 18318 399 1 1 . 1 1 91 91 GLN H H 88 8.380 8.380 8.180 0.200 18318 400 1 1 . 1 1 92 92 CYS N N 89 119.000 119.000 118.139 0.861 18318 401 1 1 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.387 -0.337 18318 402 1 1 . 1 1 92 92 CYS C C 89 176.600 176.600 177.283 -0.683 18318 403 1 1 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.781 -1.681 18318 404 1 1 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.869 13.631 18318 405 1 1 . 1 1 92 92 CYS H H 89 7.390 7.390 8.462 -1.072 18318 406 1 1 . 1 1 93 93 ALA N N 90 122.900 122.900 122.163 0.737 18318 407 1 1 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.337 -0.427 18318 408 1 1 . 1 1 93 93 ALA C C 90 179.200 179.200 178.854 0.346 18318 409 1 1 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.476 0.224 18318 410 1 1 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.353 -0.553 18318 411 1 1 . 1 1 93 93 ALA H H 90 8.410 8.410 7.660 0.750 18318 412 1 1 . 1 1 94 94 GLU N N 91 115.800 115.800 119.200 -3.400 18318 413 1 1 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.072 0.078 18318 414 1 1 . 1 1 94 94 GLU C C 91 177.400 177.400 179.105 -1.705 18318 415 1 1 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.197 -0.297 18318 416 1 1 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.575 -0.174 18318 417 1 1 . 1 1 94 94 GLU H H 91 7.880 7.880 7.827 0.053 18318 418 1 1 . 1 1 95 95 GLN N N 92 115.500 115.500 117.971 -2.471 18318 419 1 1 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.151 0.139 18318 420 1 1 . 1 1 95 95 GLN C C 92 176.600 176.600 176.482 0.118 18318 421 1 1 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.863 -1.563 18318 422 1 1 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.599 -0.699 18318 423 1 1 . 1 1 95 95 GLN H H 92 7.450 7.450 7.754 -0.304 18318 424 1 2 . 1 1 15 15 CYS N N 12 117.500 117.500 121.673 -4.173 18318 425 1 2 . 1 1 15 15 CYS C C 12 175.500 175.500 176.328 -0.828 18318 426 1 2 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.531 -4.831 18318 427 1 2 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.371 6.329 18318 428 1 2 . 1 1 15 15 CYS H H 12 8.280 8.280 9.003 -0.723 18318 429 1 2 . 1 1 16 16 GLY N N 13 108.700 108.700 110.757 -2.057 18318 430 1 2 . 1 1 16 16 GLY C C 13 176.600 176.600 175.587 1.013 18318 431 1 2 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.083 0.817 18318 432 1 2 . 1 1 16 16 GLY H H 13 8.080 8.080 8.930 -0.850 18318 433 1 2 . 1 1 17 17 ARG N N 14 123.300 123.300 121.696 1.604 18318 434 1 2 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.058 -0.098 18318 435 1 2 . 1 1 17 17 ARG C C 14 179.300 179.300 177.875 1.425 18318 436 1 2 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.465 0.735 18318 437 1 2 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.687 0.413 18318 438 1 2 . 1 1 17 17 ARG H H 14 8.630 8.630 8.574 0.056 18318 439 1 2 . 1 1 18 18 GLU N N 15 121.900 121.900 120.575 1.325 18318 440 1 2 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.206 -0.036 18318 441 1 2 . 1 1 18 18 GLU C C 15 177.900 177.900 177.942 -0.042 18318 442 1 2 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.457 1.643 18318 443 1 2 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.198 -0.998 18318 444 1 2 . 1 1 18 18 GLU H H 15 9.670 9.670 8.348 1.322 18318 445 1 2 . 1 1 19 19 LEU N N 16 119.400 119.400 120.166 -0.766 18318 446 1 2 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.025 2.875 18318 447 1 2 . 1 1 19 19 LEU H H 16 8.090 8.090 7.733 0.357 18318 448 1 2 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.123 -0.443 18318 449 1 2 . 1 1 20 20 GLU C C 17 177.200 177.200 179.339 -2.139 18318 450 1 2 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.681 -0.381 18318 451 1 2 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.811 -0.811 18318 452 1 2 . 1 1 21 21 GLN N N 18 118.500 118.500 118.793 -0.293 18318 453 1 2 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.148 -0.108 18318 454 1 2 . 1 1 21 21 GLN C C 18 177.200 177.200 178.267 -1.067 18318 455 1 2 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.560 0.440 18318 456 1 2 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.213 -0.513 18318 457 1 2 . 1 1 21 21 GLN H H 18 8.560 8.560 8.539 0.021 18318 458 1 2 . 1 1 22 22 TYR N N 19 120.700 120.700 120.040 0.660 18318 459 1 2 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.709 -0.429 18318 460 1 2 . 1 1 22 22 TYR C C 19 176.600 176.600 177.708 -1.108 18318 461 1 2 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.017 2.083 18318 462 1 2 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.227 0.673 18318 463 1 2 . 1 1 22 22 TYR H H 19 8.120 8.120 7.805 0.315 18318 464 1 2 . 1 1 23 23 GLY N N 20 105.600 105.600 105.442 0.158 18318 465 1 2 . 1 1 23 23 GLY C C 20 176.700 176.700 175.885 0.815 18318 466 1 2 . 1 1 23 23 GLY CA C 20 47.100 47.100 45.883 1.216 18318 467 1 2 . 1 1 23 23 GLY H H 20 8.390 8.390 8.483 -0.093 18318 468 1 2 . 1 1 24 24 GLN N N 21 120.300 120.300 121.913 -1.613 18318 469 1 2 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.254 -0.204 18318 470 1 2 . 1 1 24 24 GLN C C 21 178.000 178.000 178.157 -0.157 18318 471 1 2 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.228 0.372 18318 472 1 2 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.900 -1.300 18318 473 1 2 . 1 1 24 24 GLN H H 21 8.130 8.130 7.498 0.632 18318 474 1 2 . 1 1 25 25 CYS N N 22 121.500 121.500 115.869 5.631 18318 475 1 2 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.383 -0.103 18318 476 1 2 . 1 1 25 25 CYS C C 22 175.400 175.400 177.409 -2.009 18318 477 1 2 . 1 1 25 25 CYS CA C 22 60.600 60.600 60.543 0.057 18318 478 1 2 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.002 13.898 18318 479 1 2 . 1 1 25 25 CYS H H 22 7.610 7.610 7.751 -0.141 18318 480 1 2 . 1 1 26 26 VAL N N 23 119.900 119.900 121.766 -1.866 18318 481 1 2 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.082 -0.292 18318 482 1 2 . 1 1 26 26 VAL C C 23 177.100 177.100 177.441 -0.341 18318 483 1 2 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.836 1.064 18318 484 1 2 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.386 -2.086 18318 485 1 2 . 1 1 26 26 VAL H H 23 8.040 8.040 7.300 0.740 18318 486 1 2 . 1 1 27 27 ALA N N 24 117.400 117.400 121.158 -3.758 18318 487 1 2 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.029 0.071 18318 488 1 2 . 1 1 27 27 ALA C C 24 178.600 178.600 178.166 0.434 18318 489 1 2 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.307 -0.207 18318 490 1 2 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.607 -0.707 18318 491 1 2 . 1 1 27 27 ALA H H 24 7.430 7.430 7.501 -0.071 18318 492 1 2 . 1 1 28 28 ALA N N 25 116.100 116.100 120.318 -4.218 18318 493 1 2 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.244 0.086 18318 494 1 2 . 1 1 28 28 ALA C C 25 178.100 178.100 177.707 0.393 18318 495 1 2 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.231 -0.631 18318 496 1 2 . 1 1 28 28 ALA CB C 25 19.100 19.100 20.061 -0.961 18318 497 1 2 . 1 1 28 28 ALA H H 25 7.120 7.120 7.738 -0.618 18318 498 1 2 . 1 1 29 29 LYS N N 26 119.200 119.200 115.403 3.797 18318 499 1 2 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.209 5.491 18318 500 1 2 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.759 -2.659 18318 501 1 2 . 1 1 29 29 LYS H H 26 7.560 7.560 7.478 0.082 18318 502 1 2 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.340 -0.130 18318 503 1 2 . 1 1 30 30 PRO C C 27 177.000 177.000 178.518 -1.518 18318 504 1 2 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.509 0.391 18318 505 1 2 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.083 -0.483 18318 506 1 2 . 1 1 31 31 GLU N N 28 114.600 114.600 118.300 -3.700 18318 507 1 2 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.295 0.155 18318 508 1 2 . 1 1 31 31 GLU C C 28 176.100 176.100 178.370 -2.270 18318 509 1 2 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.321 -1.121 18318 510 1 2 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.576 1.024 18318 511 1 2 . 1 1 31 31 GLU H H 28 8.770 8.770 8.778 -0.008 18318 512 1 2 . 1 1 32 32 SER N N 29 111.000 111.000 115.759 -4.759 18318 513 1 2 . 1 1 32 32 SER HA H 29 4.510 4.510 4.302 0.208 18318 514 1 2 . 1 1 32 32 SER C C 29 176.600 176.600 175.887 0.713 18318 515 1 2 . 1 1 32 32 SER CA C 29 58.500 58.500 59.961 -1.461 18318 516 1 2 . 1 1 32 32 SER CB C 29 63.800 63.800 62.747 1.053 18318 517 1 2 . 1 1 32 32 SER H H 29 7.750 7.750 8.275 -0.525 18318 518 1 2 . 1 1 33 33 TRP N N 30 125.000 125.000 124.155 0.845 18318 519 1 2 . 1 1 33 33 TRP C C 30 177.200 177.200 177.717 -0.517 18318 520 1 2 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.466 -0.466 18318 521 1 2 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.683 0.817 18318 522 1 2 . 1 1 33 33 TRP H H 30 7.820 7.820 7.771 0.049 18318 523 1 2 . 1 1 34 34 GLN N N 31 123.600 123.600 117.716 5.884 18318 524 1 2 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.983 0.467 18318 525 1 2 . 1 1 34 34 GLN C C 31 176.800 176.800 178.229 -1.429 18318 526 1 2 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.745 2.155 18318 527 1 2 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.507 -2.007 18318 528 1 2 . 1 1 34 34 GLN H H 31 8.240 8.240 7.748 0.492 18318 529 1 2 . 1 1 35 35 ARG N N 32 115.900 115.900 119.203 -3.303 18318 530 1 2 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.918 0.362 18318 531 1 2 . 1 1 35 35 ARG C C 32 178.900 178.900 178.288 0.612 18318 532 1 2 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.765 -1.365 18318 533 1 2 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.085 1.215 18318 534 1 2 . 1 1 35 35 ARG H H 32 7.450 7.450 7.464 -0.014 18318 535 1 2 . 1 1 36 36 ASP N N 33 117.700 117.700 118.599 -0.899 18318 536 1 2 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.645 -0.505 18318 537 1 2 . 1 1 36 36 ASP C C 33 177.600 177.600 177.148 0.452 18318 538 1 2 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.899 0.301 18318 539 1 2 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.708 -0.808 18318 540 1 2 . 1 1 36 36 ASP H H 33 8.760 8.760 8.333 0.427 18318 541 1 2 . 1 1 37 37 CYS N N 34 113.300 113.300 119.252 -5.952 18318 542 1 2 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.725 0.675 18318 543 1 2 . 1 1 37 37 CYS C C 34 175.800 175.800 174.930 0.870 18318 544 1 2 . 1 1 37 37 CYS CA C 34 53.100 53.100 59.090 -5.990 18318 545 1 2 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.484 14.016 18318 546 1 2 . 1 1 37 37 CYS H H 34 8.260 8.260 8.025 0.235 18318 547 1 2 . 1 1 38 38 HIS N N 35 124.200 124.200 124.737 -0.537 18318 548 1 2 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.544 -0.194 18318 549 1 2 . 1 1 38 38 HIS C C 35 177.400 177.400 176.724 0.676 18318 550 1 2 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.727 2.273 18318 551 1 2 . 1 1 38 38 HIS CB C 35 30.600 30.600 31.151 -0.551 18318 552 1 2 . 1 1 38 38 HIS H H 35 7.520 7.520 7.997 -0.477 18318 553 1 2 . 1 1 39 39 TYR N N 36 117.100 117.100 118.128 -1.028 18318 554 1 2 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.325 -0.025 18318 555 1 2 . 1 1 39 39 TYR C C 36 177.700 177.700 177.335 0.365 18318 556 1 2 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.632 -0.032 18318 557 1 2 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.585 -2.385 18318 558 1 2 . 1 1 39 39 TYR H H 36 8.930 8.930 8.690 0.240 18318 559 1 2 . 1 1 40 40 LEU N N 37 122.000 122.000 118.640 3.360 18318 560 1 2 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.161 0.009 18318 561 1 2 . 1 1 40 40 LEU C C 37 179.400 179.400 178.662 0.738 18318 562 1 2 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.868 -1.368 18318 563 1 2 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.503 0.897 18318 564 1 2 . 1 1 40 40 LEU H H 37 6.940 6.940 8.275 -1.335 18318 565 1 2 . 1 1 41 41 LYS N N 38 125.300 125.300 119.227 6.073 18318 566 1 2 . 1 1 41 41 LYS C C 38 179.600 179.600 178.165 1.435 18318 567 1 2 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.549 0.051 18318 568 1 2 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.978 -0.978 18318 569 1 2 . 1 1 41 41 LYS H H 38 7.880 7.880 8.088 -0.208 18318 570 1 2 . 1 1 42 42 MET N N 39 117.600 117.600 117.398 0.202 18318 571 1 2 . 1 1 42 42 MET HA H 39 4.120 4.120 4.276 -0.156 18318 572 1 2 . 1 1 42 42 MET C C 39 178.900 178.900 178.281 0.619 18318 573 1 2 . 1 1 42 42 MET CA C 39 57.200 57.200 57.789 -0.589 18318 574 1 2 . 1 1 42 42 MET CB C 39 30.000 30.000 32.348 -2.348 18318 575 1 2 . 1 1 42 42 MET H H 39 8.090 8.090 7.575 0.515 18318 576 1 2 . 1 1 43 43 SER N N 40 115.900 115.900 116.681 -0.781 18318 577 1 2 . 1 1 43 43 SER HA H 40 4.290 4.290 4.323 -0.033 18318 578 1 2 . 1 1 43 43 SER C C 40 177.400 177.400 176.417 0.983 18318 579 1 2 . 1 1 43 43 SER CA C 40 61.700 61.700 61.794 -0.094 18318 580 1 2 . 1 1 43 43 SER CB C 40 62.500 62.500 63.395 -0.895 18318 581 1 2 . 1 1 43 43 SER H H 40 7.600 7.600 7.620 -0.020 18318 582 1 2 . 1 1 44 44 ILE N N 41 121.900 121.900 119.731 2.169 18318 583 1 2 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.865 -0.325 18318 584 1 2 . 1 1 44 44 ILE C C 41 177.500 177.500 177.342 0.158 18318 585 1 2 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.983 2.117 18318 586 1 2 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.314 0.586 18318 587 1 2 . 1 1 44 44 ILE H H 41 7.540 7.540 8.226 -0.686 18318 588 1 2 . 1 1 45 45 ALA N N 42 122.600 122.600 122.101 0.499 18318 589 1 2 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.972 0.208 18318 590 1 2 . 1 1 45 45 ALA C C 42 180.200 180.200 179.876 0.324 18318 591 1 2 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.122 -0.322 18318 592 1 2 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.152 -0.852 18318 593 1 2 . 1 1 45 45 ALA H H 42 7.420 7.420 7.837 -0.417 18318 594 1 2 . 1 1 46 46 GLN N N 43 118.400 118.400 117.181 1.219 18318 595 1 2 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.137 -0.167 18318 596 1 2 . 1 1 46 46 GLN C C 43 178.500 178.500 177.176 1.324 18318 597 1 2 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.361 0.339 18318 598 1 2 . 1 1 46 46 GLN CB C 43 27.800 27.800 29.000 -1.200 18318 599 1 2 . 1 1 46 46 GLN H H 43 8.290 8.290 7.882 0.408 18318 600 1 2 . 1 1 47 47 CYS N N 44 119.500 119.500 117.730 1.770 18318 601 1 2 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.238 -0.148 18318 602 1 2 . 1 1 47 47 CYS C C 44 176.500 176.500 177.795 -1.295 18318 603 1 2 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.672 -1.371 18318 604 1 2 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.076 12.825 18318 605 1 2 . 1 1 47 47 CYS H H 44 7.590 7.590 7.712 -0.122 18318 606 1 2 . 1 1 48 48 THR N N 45 113.000 113.000 114.650 -1.650 18318 607 1 2 . 1 1 48 48 THR C C 45 175.900 175.900 175.759 0.141 18318 608 1 2 . 1 1 48 48 THR CA C 45 65.400 65.400 65.488 -0.088 18318 609 1 2 . 1 1 48 48 THR CB C 45 68.800 68.800 68.627 0.173 18318 610 1 2 . 1 1 48 48 THR H H 45 8.810 8.810 7.834 0.976 18318 611 1 2 . 1 1 49 49 SER N N 46 113.200 113.200 116.553 -3.353 18318 612 1 2 . 1 1 49 49 SER HA H 46 4.380 4.380 4.674 -0.294 18318 613 1 2 . 1 1 49 49 SER C C 46 175.600 175.600 174.271 1.329 18318 614 1 2 . 1 1 49 49 SER CA C 46 60.000 60.000 58.524 1.476 18318 615 1 2 . 1 1 49 49 SER CB C 46 63.900 63.900 62.667 1.233 18318 616 1 2 . 1 1 49 49 SER H H 46 7.890 7.890 7.503 0.387 18318 617 1 2 . 1 1 50 50 SER N N 47 114.100 114.100 116.512 -2.412 18318 618 1 2 . 1 1 50 50 SER HA H 47 4.390 4.390 4.189 0.201 18318 619 1 2 . 1 1 50 50 SER CA C 47 59.100 59.100 60.067 -0.967 18318 620 1 2 . 1 1 50 50 SER CB C 47 64.800 64.800 63.283 1.517 18318 621 1 2 . 1 1 50 50 SER H H 47 7.770 7.770 7.307 0.463 18318 622 1 2 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.084 0.506 18318 623 1 2 . 1 1 55 55 ARG C C 52 178.500 178.500 177.899 0.601 18318 624 1 2 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.663 1.337 18318 625 1 2 . 1 1 56 56 GLN N N 53 117.700 117.700 119.045 -1.345 18318 626 1 2 . 1 1 56 56 GLN C C 53 175.000 175.000 178.139 -3.139 18318 627 1 2 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.589 1.611 18318 628 1 2 . 1 1 56 56 GLN H H 53 8.110 8.110 8.618 -0.508 18318 629 1 2 . 1 1 57 57 ILE N N 54 121.200 121.200 119.921 1.279 18318 630 1 2 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.786 -0.466 18318 631 1 2 . 1 1 57 57 ILE C C 54 178.700 178.700 177.916 0.784 18318 632 1 2 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.901 2.099 18318 633 1 2 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.896 0.804 18318 634 1 2 . 1 1 57 57 ILE H H 54 7.820 7.820 7.902 -0.082 18318 635 1 2 . 1 1 58 58 ARG N N 55 118.900 118.900 118.482 0.418 18318 636 1 2 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.635 0.675 18318 637 1 2 . 1 1 58 58 ARG C C 55 178.600 178.600 177.871 0.729 18318 638 1 2 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.902 0.998 18318 639 1 2 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.185 2.315 18318 640 1 2 . 1 1 58 58 ARG H H 55 8.250 8.250 7.518 0.732 18318 641 1 2 . 1 1 59 59 GLN N N 56 115.800 115.800 118.115 -2.315 18318 642 1 2 . 1 1 59 59 GLN C C 56 178.100 178.100 176.972 1.128 18318 643 1 2 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.449 0.551 18318 644 1 2 . 1 1 59 59 GLN CB C 56 28.800 28.800 29.153 -0.353 18318 645 1 2 . 1 1 59 59 GLN H H 56 7.920 7.920 7.395 0.525 18318 646 1 2 . 1 1 60 60 ALA N N 57 121.600 121.600 120.724 0.876 18318 647 1 2 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.174 0.006 18318 648 1 2 . 1 1 60 60 ALA C C 57 179.600 179.600 178.560 1.040 18318 649 1 2 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.951 0.549 18318 650 1 2 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.347 -0.447 18318 651 1 2 . 1 1 60 60 ALA H H 57 8.490 8.490 7.749 0.741 18318 652 1 2 . 1 1 61 61 CYS N N 58 114.000 114.000 116.683 -2.683 18318 653 1 2 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.603 0.527 18318 654 1 2 . 1 1 61 61 CYS C C 58 175.000 175.000 174.251 0.749 18318 655 1 2 . 1 1 61 61 CYS CA C 58 52.700 52.700 58.872 -6.172 18318 656 1 2 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.417 14.383 18318 657 1 2 . 1 1 61 61 CYS H H 58 8.370 8.370 8.059 0.311 18318 658 1 2 . 1 1 62 62 ALA N N 59 124.900 124.900 128.229 -3.329 18318 659 1 2 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.351 -0.081 18318 660 1 2 . 1 1 62 62 ALA C C 59 179.200 179.200 178.596 0.604 18318 661 1 2 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.260 3.240 18318 662 1 2 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.814 -1.014 18318 663 1 2 . 1 1 62 62 ALA H H 59 7.200 7.200 8.095 -0.895 18318 664 1 2 . 1 1 63 63 GLN N N 60 115.800 115.800 120.013 -4.213 18318 665 1 2 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.115 0.365 18318 666 1 2 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.108 0.092 18318 667 1 2 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.746 -2.046 18318 668 1 2 . 1 1 63 63 GLN H H 60 9.040 9.040 8.771 0.269 18318 669 1 2 . 1 1 64 64 PRO C C 61 179.700 179.700 177.697 2.003 18318 670 1 2 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.274 0.326 18318 671 1 2 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.035 -0.235 18318 672 1 2 . 1 1 65 65 PHE N N 62 120.500 120.500 119.580 0.920 18318 673 1 2 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.247 0.033 18318 674 1 2 . 1 1 65 65 PHE C C 62 176.400 176.400 176.796 -0.396 18318 675 1 2 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.763 1.637 18318 676 1 2 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.011 -0.411 18318 677 1 2 . 1 1 65 65 PHE H H 62 8.500 8.500 7.952 0.548 18318 678 1 2 . 1 1 66 66 GLU N N 63 120.200 120.200 119.811 0.389 18318 679 1 2 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.812 0.218 18318 680 1 2 . 1 1 66 66 GLU C C 63 179.300 179.300 178.020 1.280 18318 681 1 2 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.935 0.265 18318 682 1 2 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.837 -1.337 18318 683 1 2 . 1 1 66 66 GLU H H 63 8.900 8.900 8.482 0.418 18318 684 1 2 . 1 1 67 67 ALA N N 64 120.600 120.600 122.077 -1.477 18318 685 1 2 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.915 -0.045 18318 686 1 2 . 1 1 67 67 ALA C C 64 180.500 180.500 179.803 0.697 18318 687 1 2 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.993 -0.293 18318 688 1 2 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.904 0.196 18318 689 1 2 . 1 1 67 67 ALA H H 64 8.150 8.150 7.253 0.897 18318 690 1 2 . 1 1 68 68 PHE N N 65 120.000 120.000 116.536 3.464 18318 691 1 2 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.097 0.223 18318 692 1 2 . 1 1 68 68 PHE C C 65 175.400 175.400 177.779 -2.379 18318 693 1 2 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.572 0.228 18318 694 1 2 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.684 0.316 18318 695 1 2 . 1 1 68 68 PHE H H 65 7.810 7.810 6.918 0.892 18318 696 1 2 . 1 1 69 69 GLU N N 66 119.400 119.400 119.350 0.050 18318 697 1 2 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.907 0.263 18318 698 1 2 . 1 1 69 69 GLU C C 66 178.800 178.800 178.815 -0.015 18318 699 1 2 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.356 1.844 18318 700 1 2 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.055 0.045 18318 701 1 2 . 1 1 69 69 GLU H H 66 8.330 8.330 7.535 0.795 18318 702 1 2 . 1 1 70 70 GLU N N 67 118.600 118.600 119.086 -0.486 18318 703 1 2 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.163 -0.193 18318 704 1 2 . 1 1 70 70 GLU C C 67 177.700 177.700 178.410 -0.710 18318 705 1 2 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.863 -0.063 18318 706 1 2 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.815 -1.115 18318 707 1 2 . 1 1 70 70 GLU H H 67 8.240 8.240 7.777 0.463 18318 708 1 2 . 1 1 71 71 CYS N N 68 119.100 119.100 119.310 -0.210 18318 709 1 2 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.216 -0.136 18318 710 1 2 . 1 1 71 71 CYS C C 68 177.900 177.900 177.137 0.763 18318 711 1 2 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.567 -2.967 18318 712 1 2 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.491 12.509 18318 713 1 2 . 1 1 71 71 CYS H H 68 7.580 7.580 7.691 -0.111 18318 714 1 2 . 1 1 72 72 LEU N N 69 122.000 122.000 119.029 2.971 18318 715 1 2 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.205 -0.505 18318 716 1 2 . 1 1 72 72 LEU C C 69 179.300 179.300 178.690 0.610 18318 717 1 2 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.097 0.503 18318 718 1 2 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.548 -0.548 18318 719 1 2 . 1 1 72 72 LEU H H 69 8.090 8.090 7.810 0.280 18318 720 1 2 . 1 1 73 73 ARG N N 70 117.400 117.400 118.175 -0.775 18318 721 1 2 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.949 0.061 18318 722 1 2 . 1 1 73 73 ARG C C 70 178.500 178.500 177.785 0.715 18318 723 1 2 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.743 -0.043 18318 724 1 2 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.071 0.029 18318 725 1 2 . 1 1 73 73 ARG H H 70 7.600 7.600 7.452 0.148 18318 726 1 2 . 1 1 74 74 GLN N N 71 115.800 115.800 114.516 1.284 18318 727 1 2 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.444 -0.154 18318 728 1 2 . 1 1 74 74 GLN C C 71 176.200 176.200 176.692 -0.492 18318 729 1 2 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.371 0.029 18318 730 1 2 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.506 -1.306 18318 731 1 2 . 1 1 74 74 GLN H H 71 7.580 7.580 7.716 -0.136 18318 732 1 2 . 1 1 75 75 ASN N N 72 118.600 118.600 120.106 -1.506 18318 733 1 2 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.944 0.046 18318 734 1 2 . 1 1 75 75 ASN C C 72 174.800 174.800 174.297 0.503 18318 735 1 2 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.449 0.551 18318 736 1 2 . 1 1 75 75 ASN CB C 72 39.800 39.800 37.739 2.061 18318 737 1 2 . 1 1 75 75 ASN H H 72 7.750 7.750 8.341 -0.591 18318 738 1 2 . 1 1 76 76 GLU N N 73 120.200 120.200 119.814 0.386 18318 739 1 2 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.992 -0.032 18318 740 1 2 . 1 1 76 76 GLU C C 73 176.800 176.800 177.435 -0.635 18318 741 1 2 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.028 0.172 18318 742 1 2 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.383 -0.283 18318 743 1 2 . 1 1 76 76 GLU H H 73 7.950 7.950 7.771 0.179 18318 744 1 2 . 1 1 77 77 ALA N N 74 119.200 119.200 121.144 -1.944 18318 745 1 2 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.502 -0.142 18318 746 1 2 . 1 1 77 77 ALA C C 74 175.400 175.400 177.516 -2.116 18318 747 1 2 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.827 -0.727 18318 748 1 2 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.728 -0.528 18318 749 1 2 . 1 1 77 77 ALA H H 74 8.320 8.320 8.308 0.012 18318 750 1 2 . 1 1 78 78 ALA N N 75 124.400 124.400 120.860 3.540 18318 751 1 2 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.448 -0.068 18318 752 1 2 . 1 1 78 78 ALA C C 75 177.200 177.200 178.055 -0.855 18318 753 1 2 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.538 -0.138 18318 754 1 2 . 1 1 78 78 ALA CB C 75 18.000 18.000 17.879 0.121 18318 755 1 2 . 1 1 78 78 ALA H H 75 7.900 7.900 8.005 -0.105 18318 756 1 2 . 1 1 79 79 VAL N N 76 118.400 118.400 118.636 -0.236 18318 757 1 2 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.944 -0.154 18318 758 1 2 . 1 1 79 79 VAL CA C 76 65.100 65.100 65.142 -0.042 18318 759 1 2 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.375 -0.075 18318 760 1 2 . 1 1 79 79 VAL H H 76 8.100 8.100 7.931 0.169 18318 761 1 2 . 1 1 80 80 GLY C C 77 175.900 175.900 175.449 0.451 18318 762 1 2 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.911 -0.511 18318 763 1 2 . 1 1 81 81 ASN N N 78 119.300 119.300 117.236 2.064 18318 764 1 2 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.827 -0.227 18318 765 1 2 . 1 1 81 81 ASN C C 78 176.700 176.700 174.300 2.400 18318 766 1 2 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.376 1.124 18318 767 1 2 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.981 -2.681 18318 768 1 2 . 1 1 81 81 ASN H H 78 8.200 8.200 8.106 0.094 18318 769 1 2 . 1 1 82 82 CYS N N 79 117.200 117.200 114.153 3.047 18318 770 1 2 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.746 0.654 18318 771 1 2 . 1 1 82 82 CYS C C 79 175.800 175.800 172.783 3.017 18318 772 1 2 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.420 -2.920 18318 773 1 2 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.651 8.649 18318 774 1 2 . 1 1 82 82 CYS H H 79 8.330 8.330 7.199 1.131 18318 775 1 2 . 1 1 83 83 ALA N N 80 125.000 125.000 125.491 -0.491 18318 776 1 2 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.562 -0.412 18318 777 1 2 . 1 1 83 83 ALA C C 80 179.900 179.900 177.449 2.451 18318 778 1 2 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.571 5.629 18318 779 1 2 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.126 -1.926 18318 780 1 2 . 1 1 83 83 ALA H H 80 7.700 7.700 8.201 -0.501 18318 781 1 2 . 1 1 84 84 GLU N N 81 118.900 118.900 127.513 -8.613 18318 782 1 2 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.024 -0.074 18318 783 1 2 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.883 0.117 18318 784 1 2 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.398 -0.498 18318 785 1 2 . 1 1 84 84 GLU H H 81 8.920 8.920 8.994 -0.074 18318 786 1 2 . 1 1 85 85 HIS C C 82 178.500 178.500 176.970 1.530 18318 787 1 2 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.061 -2.961 18318 788 1 2 . 1 1 86 86 MET N N 83 118.800 118.800 118.291 0.509 18318 789 1 2 . 1 1 86 86 MET C C 83 177.200 177.200 178.103 -0.903 18318 790 1 2 . 1 1 86 86 MET CA C 83 58.900 58.900 58.597 0.303 18318 791 1 2 . 1 1 86 86 MET CB C 83 31.300 31.300 32.582 -1.282 18318 792 1 2 . 1 1 86 86 MET H H 83 7.460 7.460 8.334 -0.874 18318 793 1 2 . 1 1 87 87 ARG N N 84 119.500 119.500 117.104 2.396 18318 794 1 2 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.899 0.011 18318 795 1 2 . 1 1 87 87 ARG C C 84 178.600 178.600 178.184 0.416 18318 796 1 2 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.410 1.490 18318 797 1 2 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.116 0.384 18318 798 1 2 . 1 1 87 87 ARG H H 84 8.220 8.220 7.542 0.678 18318 799 1 2 . 1 1 88 88 ARG N N 85 117.900 117.900 118.695 -0.795 18318 800 1 2 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.807 0.113 18318 801 1 2 . 1 1 88 88 ARG C C 85 179.700 179.700 178.286 1.414 18318 802 1 2 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.870 0.630 18318 803 1 2 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.420 0.580 18318 804 1 2 . 1 1 88 88 ARG H H 85 8.100 8.100 7.283 0.817 18318 805 1 2 . 1 1 89 89 PHE N N 86 119.700 119.700 118.563 1.137 18318 806 1 2 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.482 -0.132 18318 807 1 2 . 1 1 89 89 PHE C C 86 175.600 175.600 177.423 -1.823 18318 808 1 2 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.258 0.842 18318 809 1 2 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.210 -1.410 18318 810 1 2 . 1 1 89 89 PHE H H 86 7.930 7.930 7.604 0.326 18318 811 1 2 . 1 1 90 90 LEU N N 87 120.400 120.400 120.526 -0.126 18318 812 1 2 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.087 -0.377 18318 813 1 2 . 1 1 90 90 LEU C C 87 179.200 179.200 178.638 0.562 18318 814 1 2 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.938 -0.238 18318 815 1 2 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.016 -1.716 18318 816 1 2 . 1 1 90 90 LEU H H 87 8.640 8.640 7.677 0.963 18318 817 1 2 . 1 1 91 91 GLN N N 88 118.200 118.200 119.141 -0.941 18318 818 1 2 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.231 -0.191 18318 819 1 2 . 1 1 91 91 GLN C C 88 178.000 178.000 178.333 -0.333 18318 820 1 2 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.751 -0.051 18318 821 1 2 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.987 -0.987 18318 822 1 2 . 1 1 91 91 GLN H H 88 8.380 8.380 8.435 -0.055 18318 823 1 2 . 1 1 92 92 CYS N N 89 119.000 119.000 118.054 0.946 18318 824 1 2 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.340 -0.290 18318 825 1 2 . 1 1 92 92 CYS C C 89 176.600 176.600 177.189 -0.589 18318 826 1 2 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.031 -1.931 18318 827 1 2 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.748 13.752 18318 828 1 2 . 1 1 92 92 CYS H H 89 7.390 7.390 7.801 -0.411 18318 829 1 2 . 1 1 93 93 ALA N N 90 122.900 122.900 122.272 0.628 18318 830 1 2 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.017 -0.107 18318 831 1 2 . 1 1 93 93 ALA C C 90 179.200 179.200 178.739 0.461 18318 832 1 2 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.887 -0.187 18318 833 1 2 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.314 -0.514 18318 834 1 2 . 1 1 93 93 ALA H H 90 8.410 8.410 7.811 0.599 18318 835 1 2 . 1 1 94 94 GLU N N 91 115.800 115.800 118.830 -3.030 18318 836 1 2 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.059 0.091 18318 837 1 2 . 1 1 94 94 GLU C C 91 177.400 177.400 178.560 -1.160 18318 838 1 2 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.485 -0.585 18318 839 1 2 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.726 -0.326 18318 840 1 2 . 1 1 94 94 GLU H H 91 7.880 7.880 7.950 -0.070 18318 841 1 2 . 1 1 95 95 GLN N N 92 115.500 115.500 118.238 -2.738 18318 842 1 2 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.185 0.105 18318 843 1 2 . 1 1 95 95 GLN C C 92 176.600 176.600 176.619 -0.019 18318 844 1 2 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.596 -1.296 18318 845 1 2 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.481 -0.581 18318 846 1 2 . 1 1 95 95 GLN H H 92 7.450 7.450 7.730 -0.280 18318 847 1 3 . 1 1 15 15 CYS N N 12 117.500 117.500 119.984 -2.484 18318 848 1 3 . 1 1 15 15 CYS C C 12 175.500 175.500 175.420 0.080 18318 849 1 3 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.750 -5.050 18318 850 1 3 . 1 1 15 15 CYS CB C 12 36.700 36.700 28.695 8.005 18318 851 1 3 . 1 1 15 15 CYS H H 12 8.280 8.280 8.844 -0.564 18318 852 1 3 . 1 1 16 16 GLY N N 13 108.700 108.700 112.202 -3.502 18318 853 1 3 . 1 1 16 16 GLY C C 13 176.600 176.600 174.722 1.878 18318 854 1 3 . 1 1 16 16 GLY CA C 13 47.900 47.900 44.913 2.987 18318 855 1 3 . 1 1 16 16 GLY H H 13 8.080 8.080 8.912 -0.832 18318 856 1 3 . 1 1 17 17 ARG N N 14 123.300 123.300 120.463 2.837 18318 857 1 3 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.015 -0.055 18318 858 1 3 . 1 1 17 17 ARG C C 14 179.300 179.300 177.379 1.921 18318 859 1 3 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.256 0.944 18318 860 1 3 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.524 -0.424 18318 861 1 3 . 1 1 17 17 ARG H H 14 8.630 8.630 8.136 0.494 18318 862 1 3 . 1 1 18 18 GLU N N 15 121.900 121.900 117.883 4.017 18318 863 1 3 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.355 -0.185 18318 864 1 3 . 1 1 18 18 GLU C C 15 177.900 177.900 177.936 -0.036 18318 865 1 3 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.234 2.866 18318 866 1 3 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.442 -1.242 18318 867 1 3 . 1 1 18 18 GLU H H 15 9.670 9.670 8.710 0.960 18318 868 1 3 . 1 1 19 19 LEU N N 16 119.400 119.400 122.457 -3.057 18318 869 1 3 . 1 1 19 19 LEU CA C 16 59.900 59.900 58.287 1.613 18318 870 1 3 . 1 1 19 19 LEU H H 16 8.090 8.090 7.949 0.141 18318 871 1 3 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.053 -0.373 18318 872 1 3 . 1 1 20 20 GLU C C 17 177.200 177.200 179.174 -1.974 18318 873 1 3 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.574 -0.274 18318 874 1 3 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.307 -0.307 18318 875 1 3 . 1 1 21 21 GLN N N 18 118.500 118.500 118.683 -0.183 18318 876 1 3 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.080 -0.040 18318 877 1 3 . 1 1 21 21 GLN C C 18 177.200 177.200 178.485 -1.285 18318 878 1 3 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.562 0.438 18318 879 1 3 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.686 0.015 18318 880 1 3 . 1 1 21 21 GLN H H 18 8.560 8.560 7.662 0.898 18318 881 1 3 . 1 1 22 22 TYR N N 19 120.700 120.700 122.167 -1.467 18318 882 1 3 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.304 -0.024 18318 883 1 3 . 1 1 22 22 TYR C C 19 176.600 176.600 178.015 -1.415 18318 884 1 3 . 1 1 22 22 TYR CA C 19 62.100 62.100 61.058 1.042 18318 885 1 3 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.238 0.662 18318 886 1 3 . 1 1 22 22 TYR H H 19 8.120 8.120 8.894 -0.774 18318 887 1 3 . 1 1 23 23 GLY N N 20 105.600 105.600 106.250 -0.650 18318 888 1 3 . 1 1 23 23 GLY C C 20 176.700 176.700 176.153 0.547 18318 889 1 3 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.468 -0.367 18318 890 1 3 . 1 1 23 23 GLY H H 20 8.390 8.390 8.368 0.022 18318 891 1 3 . 1 1 24 24 GLN N N 21 120.300 120.300 121.065 -0.765 18318 892 1 3 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.128 -0.078 18318 893 1 3 . 1 1 24 24 GLN C C 21 178.000 178.000 178.458 -0.458 18318 894 1 3 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.771 -0.171 18318 895 1 3 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.578 -0.978 18318 896 1 3 . 1 1 24 24 GLN H H 21 8.130 8.130 7.796 0.334 18318 897 1 3 . 1 1 25 25 CYS N N 22 121.500 121.500 118.944 2.556 18318 898 1 3 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.425 -0.145 18318 899 1 3 . 1 1 25 25 CYS C C 22 175.400 175.400 177.534 -2.134 18318 900 1 3 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.974 -2.374 18318 901 1 3 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.445 13.455 18318 902 1 3 . 1 1 25 25 CYS H H 22 7.610 7.610 8.249 -0.639 18318 903 1 3 . 1 1 26 26 VAL N N 23 119.900 119.900 120.074 -0.174 18318 904 1 3 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.303 -0.513 18318 905 1 3 . 1 1 26 26 VAL C C 23 177.100 177.100 176.957 0.143 18318 906 1 3 . 1 1 26 26 VAL CA C 23 65.900 65.900 63.911 1.989 18318 907 1 3 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.649 -2.349 18318 908 1 3 . 1 1 26 26 VAL H H 23 8.040 8.040 8.067 -0.027 18318 909 1 3 . 1 1 27 27 ALA N N 24 117.400 117.400 121.553 -4.153 18318 910 1 3 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.132 -0.032 18318 911 1 3 . 1 1 27 27 ALA C C 24 178.600 178.600 178.787 -0.187 18318 912 1 3 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.439 -0.339 18318 913 1 3 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.713 -0.813 18318 914 1 3 . 1 1 27 27 ALA H H 24 7.430 7.430 7.848 -0.418 18318 915 1 3 . 1 1 28 28 ALA N N 25 116.100 116.100 120.977 -4.877 18318 916 1 3 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.204 0.126 18318 917 1 3 . 1 1 28 28 ALA C C 25 178.100 178.100 177.959 0.141 18318 918 1 3 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.803 -1.203 18318 919 1 3 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.537 -0.437 18318 920 1 3 . 1 1 28 28 ALA H H 25 7.120 7.120 7.728 -0.608 18318 921 1 3 . 1 1 29 29 LYS N N 26 119.200 119.200 114.107 5.093 18318 922 1 3 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.979 4.721 18318 923 1 3 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.537 -2.437 18318 924 1 3 . 1 1 29 29 LYS H H 26 7.560 7.560 7.480 0.080 18318 925 1 3 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.339 -0.129 18318 926 1 3 . 1 1 30 30 PRO C C 27 177.000 177.000 177.727 -0.727 18318 927 1 3 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.556 0.344 18318 928 1 3 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.306 -0.706 18318 929 1 3 . 1 1 31 31 GLU N N 28 114.600 114.600 118.095 -3.495 18318 930 1 3 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.337 0.113 18318 931 1 3 . 1 1 31 31 GLU C C 28 176.100 176.100 178.147 -2.047 18318 932 1 3 . 1 1 31 31 GLU CA C 28 57.200 57.200 59.063 -1.863 18318 933 1 3 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.654 -0.054 18318 934 1 3 . 1 1 31 31 GLU H H 28 8.770 8.770 8.621 0.149 18318 935 1 3 . 1 1 32 32 SER N N 29 111.000 111.000 114.985 -3.985 18318 936 1 3 . 1 1 32 32 SER HA H 29 4.510 4.510 4.214 0.296 18318 937 1 3 . 1 1 32 32 SER C C 29 176.600 176.600 176.227 0.373 18318 938 1 3 . 1 1 32 32 SER CA C 29 58.500 58.500 60.136 -1.636 18318 939 1 3 . 1 1 32 32 SER CB C 29 63.800 63.800 62.011 1.790 18318 940 1 3 . 1 1 32 32 SER H H 29 7.750 7.750 8.319 -0.569 18318 941 1 3 . 1 1 33 33 TRP N N 30 125.000 125.000 123.902 1.098 18318 942 1 3 . 1 1 33 33 TRP C C 30 177.200 177.200 177.406 -0.206 18318 943 1 3 . 1 1 33 33 TRP CA C 30 60.000 60.000 61.170 -1.170 18318 944 1 3 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.506 0.994 18318 945 1 3 . 1 1 33 33 TRP H H 30 7.820 7.820 7.429 0.391 18318 946 1 3 . 1 1 34 34 GLN N N 31 123.600 123.600 117.415 6.185 18318 947 1 3 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.367 1.083 18318 948 1 3 . 1 1 34 34 GLN C C 31 176.800 176.800 177.238 -0.438 18318 949 1 3 . 1 1 34 34 GLN CA C 31 59.900 59.900 56.815 3.085 18318 950 1 3 . 1 1 34 34 GLN CB C 31 26.500 26.500 27.867 -1.367 18318 951 1 3 . 1 1 34 34 GLN H H 31 8.240 8.240 7.262 0.978 18318 952 1 3 . 1 1 35 35 ARG N N 32 115.900 115.900 116.130 -0.230 18318 953 1 3 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.099 0.181 18318 954 1 3 . 1 1 35 35 ARG C C 32 178.900 178.900 177.547 1.353 18318 955 1 3 . 1 1 35 35 ARG CA C 32 57.400 57.400 57.992 -0.592 18318 956 1 3 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.213 1.087 18318 957 1 3 . 1 1 35 35 ARG H H 32 7.450 7.450 7.280 0.170 18318 958 1 3 . 1 1 36 36 ASP N N 33 117.700 117.700 118.701 -1.001 18318 959 1 3 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.698 -0.558 18318 960 1 3 . 1 1 36 36 ASP C C 33 177.600 177.600 176.520 1.080 18318 961 1 3 . 1 1 36 36 ASP CA C 33 57.200 57.200 55.974 1.226 18318 962 1 3 . 1 1 36 36 ASP CB C 33 40.900 40.900 42.677 -1.777 18318 963 1 3 . 1 1 36 36 ASP H H 33 8.760 8.760 7.907 0.853 18318 964 1 3 . 1 1 37 37 CYS N N 34 113.300 113.300 117.950 -4.650 18318 965 1 3 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.891 0.509 18318 966 1 3 . 1 1 37 37 CYS C C 34 175.800 175.800 174.588 1.212 18318 967 1 3 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.557 -3.457 18318 968 1 3 . 1 1 37 37 CYS CB C 34 39.500 39.500 26.671 12.829 18318 969 1 3 . 1 1 37 37 CYS H H 34 8.260 8.260 7.544 0.716 18318 970 1 3 . 1 1 38 38 HIS N N 35 124.200 124.200 123.580 0.620 18318 971 1 3 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.264 0.086 18318 972 1 3 . 1 1 38 38 HIS C C 35 177.400 177.400 175.975 1.425 18318 973 1 3 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.057 1.943 18318 974 1 3 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.643 -0.043 18318 975 1 3 . 1 1 38 38 HIS H H 35 7.520 7.520 8.492 -0.972 18318 976 1 3 . 1 1 39 39 TYR N N 36 117.100 117.100 119.205 -2.105 18318 977 1 3 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.397 -0.097 18318 978 1 3 . 1 1 39 39 TYR C C 36 177.700 177.700 178.009 -0.309 18318 979 1 3 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.971 -0.371 18318 980 1 3 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.348 -1.148 18318 981 1 3 . 1 1 39 39 TYR H H 36 8.930 8.930 7.949 0.981 18318 982 1 3 . 1 1 40 40 LEU N N 37 122.000 122.000 118.789 3.211 18318 983 1 3 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.079 0.091 18318 984 1 3 . 1 1 40 40 LEU C C 37 179.400 179.400 178.652 0.748 18318 985 1 3 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.725 -1.225 18318 986 1 3 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.101 1.299 18318 987 1 3 . 1 1 40 40 LEU H H 37 6.940 6.940 8.440 -1.500 18318 988 1 3 . 1 1 41 41 LYS N N 38 125.300 125.300 119.054 6.246 18318 989 1 3 . 1 1 41 41 LYS C C 38 179.600 179.600 178.852 0.748 18318 990 1 3 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.800 0.800 18318 991 1 3 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.421 -1.421 18318 992 1 3 . 1 1 41 41 LYS H H 38 7.880 7.880 7.383 0.497 18318 993 1 3 . 1 1 42 42 MET N N 39 117.600 117.600 118.971 -1.371 18318 994 1 3 . 1 1 42 42 MET HA H 39 4.120 4.120 4.292 -0.172 18318 995 1 3 . 1 1 42 42 MET C C 39 178.900 178.900 177.991 0.909 18318 996 1 3 . 1 1 42 42 MET CA C 39 57.200 57.200 57.604 -0.404 18318 997 1 3 . 1 1 42 42 MET CB C 39 30.000 30.000 32.742 -2.742 18318 998 1 3 . 1 1 42 42 MET H H 39 8.090 8.090 7.633 0.457 18318 999 1 3 . 1 1 43 43 SER N N 40 115.900 115.900 116.786 -0.886 18318 1000 1 3 . 1 1 43 43 SER HA H 40 4.290 4.290 4.297 -0.007 18318 1001 1 3 . 1 1 43 43 SER C C 40 177.400 177.400 176.470 0.930 18318 1002 1 3 . 1 1 43 43 SER CA C 40 61.700 61.700 61.765 -0.065 18318 1003 1 3 . 1 1 43 43 SER CB C 40 62.500 62.500 63.037 -0.537 18318 1004 1 3 . 1 1 43 43 SER H H 40 7.600 7.600 8.315 -0.715 18318 1005 1 3 . 1 1 44 44 ILE N N 41 121.900 121.900 118.651 3.249 18318 1006 1 3 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.908 -0.368 18318 1007 1 3 . 1 1 44 44 ILE C C 41 177.500 177.500 177.416 0.084 18318 1008 1 3 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.283 1.817 18318 1009 1 3 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.217 0.683 18318 1010 1 3 . 1 1 44 44 ILE H H 41 7.540 7.540 7.356 0.184 18318 1011 1 3 . 1 1 45 45 ALA N N 42 122.600 122.600 122.889 -0.289 18318 1012 1 3 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.913 0.267 18318 1013 1 3 . 1 1 45 45 ALA C C 42 180.200 180.200 179.896 0.304 18318 1014 1 3 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.225 -0.425 18318 1015 1 3 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.227 -0.927 18318 1016 1 3 . 1 1 45 45 ALA H H 42 7.420 7.420 7.756 -0.336 18318 1017 1 3 . 1 1 46 46 GLN N N 43 118.400 118.400 116.309 2.091 18318 1018 1 3 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.047 -0.077 18318 1019 1 3 . 1 1 46 46 GLN C C 43 178.500 178.500 176.791 1.709 18318 1020 1 3 . 1 1 46 46 GLN CA C 43 58.700 58.700 57.998 0.702 18318 1021 1 3 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.786 -0.986 18318 1022 1 3 . 1 1 46 46 GLN H H 43 8.290 8.290 7.917 0.373 18318 1023 1 3 . 1 1 47 47 CYS N N 44 119.500 119.500 118.117 1.383 18318 1024 1 3 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.262 -0.172 18318 1025 1 3 . 1 1 47 47 CYS C C 44 176.500 176.500 177.311 -0.811 18318 1026 1 3 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.144 -0.844 18318 1027 1 3 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.260 12.640 18318 1028 1 3 . 1 1 47 47 CYS H H 44 7.590 7.590 7.709 -0.119 18318 1029 1 3 . 1 1 48 48 THR N N 45 113.000 113.000 114.556 -1.556 18318 1030 1 3 . 1 1 48 48 THR C C 45 175.900 175.900 176.225 -0.325 18318 1031 1 3 . 1 1 48 48 THR CA C 45 65.400 65.400 65.109 0.292 18318 1032 1 3 . 1 1 48 48 THR CB C 45 68.800 68.800 68.615 0.185 18318 1033 1 3 . 1 1 48 48 THR H H 45 8.810 8.810 8.294 0.516 18318 1034 1 3 . 1 1 49 49 SER N N 46 113.200 113.200 115.636 -2.436 18318 1035 1 3 . 1 1 49 49 SER HA H 46 4.380 4.380 4.497 -0.117 18318 1036 1 3 . 1 1 49 49 SER C C 46 175.600 175.600 174.988 0.612 18318 1037 1 3 . 1 1 49 49 SER CA C 46 60.000 60.000 57.585 2.415 18318 1038 1 3 . 1 1 49 49 SER CB C 46 63.900 63.900 62.066 1.834 18318 1039 1 3 . 1 1 49 49 SER H H 46 7.890 7.890 7.683 0.207 18318 1040 1 3 . 1 1 50 50 SER N N 47 114.100 114.100 116.371 -2.271 18318 1041 1 3 . 1 1 50 50 SER HA H 47 4.390 4.390 4.316 0.074 18318 1042 1 3 . 1 1 50 50 SER CA C 47 59.100 59.100 60.660 -1.560 18318 1043 1 3 . 1 1 50 50 SER CB C 47 64.800 64.800 63.797 1.003 18318 1044 1 3 . 1 1 50 50 SER H H 47 7.770 7.770 7.734 0.036 18318 1045 1 3 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.172 0.418 18318 1046 1 3 . 1 1 55 55 ARG C C 52 178.500 178.500 177.723 0.777 18318 1047 1 3 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.081 1.919 18318 1048 1 3 . 1 1 56 56 GLN N N 53 117.700 117.700 120.724 -3.024 18318 1049 1 3 . 1 1 56 56 GLN C C 53 175.000 175.000 178.241 -3.241 18318 1050 1 3 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.142 1.058 18318 1051 1 3 . 1 1 56 56 GLN H H 53 8.110 8.110 8.661 -0.551 18318 1052 1 3 . 1 1 57 57 ILE N N 54 121.200 121.200 114.138 7.062 18318 1053 1 3 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.853 -0.533 18318 1054 1 3 . 1 1 57 57 ILE C C 54 178.700 178.700 177.376 1.324 18318 1055 1 3 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.930 2.070 18318 1056 1 3 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.919 0.781 18318 1057 1 3 . 1 1 57 57 ILE H H 54 7.820 7.820 7.856 -0.036 18318 1058 1 3 . 1 1 58 58 ARG N N 55 118.900 118.900 120.378 -1.478 18318 1059 1 3 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.941 0.369 18318 1060 1 3 . 1 1 58 58 ARG C C 55 178.600 178.600 177.585 1.015 18318 1061 1 3 . 1 1 58 58 ARG CA C 55 59.900 59.900 59.026 0.874 18318 1062 1 3 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.959 1.541 18318 1063 1 3 . 1 1 58 58 ARG H H 55 8.250 8.250 7.613 0.637 18318 1064 1 3 . 1 1 59 59 GLN N N 56 115.800 115.800 116.460 -0.660 18318 1065 1 3 . 1 1 59 59 GLN C C 56 178.100 178.100 176.888 1.212 18318 1066 1 3 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.473 0.527 18318 1067 1 3 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.944 -0.144 18318 1068 1 3 . 1 1 59 59 GLN H H 56 7.920 7.920 8.080 -0.160 18318 1069 1 3 . 1 1 60 60 ALA N N 57 121.600 121.600 122.022 -0.422 18318 1070 1 3 . 1 1 60 60 ALA HA H 57 4.180 4.180 3.985 0.195 18318 1071 1 3 . 1 1 60 60 ALA C C 57 179.600 179.600 177.672 1.928 18318 1072 1 3 . 1 1 60 60 ALA CA C 57 54.500 54.500 54.018 0.482 18318 1073 1 3 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.435 -0.535 18318 1074 1 3 . 1 1 60 60 ALA H H 57 8.490 8.490 7.540 0.950 18318 1075 1 3 . 1 1 61 61 CYS N N 58 114.000 114.000 113.823 0.177 18318 1076 1 3 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.095 1.035 18318 1077 1 3 . 1 1 61 61 CYS C C 58 175.000 175.000 175.118 -0.118 18318 1078 1 3 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.618 -6.918 18318 1079 1 3 . 1 1 61 61 CYS CB C 58 39.800 39.800 26.566 13.234 18318 1080 1 3 . 1 1 61 61 CYS H H 58 8.370 8.370 7.682 0.688 18318 1081 1 3 . 1 1 62 62 ALA N N 59 124.900 124.900 120.525 4.375 18318 1082 1 3 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.499 -0.229 18318 1083 1 3 . 1 1 62 62 ALA C C 59 179.200 179.200 178.025 1.175 18318 1084 1 3 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.042 3.458 18318 1085 1 3 . 1 1 62 62 ALA CB C 59 18.800 18.800 18.854 -0.054 18318 1086 1 3 . 1 1 62 62 ALA H H 59 7.200 7.200 8.428 -1.228 18318 1087 1 3 . 1 1 63 63 GLN N N 60 115.800 115.800 119.839 -4.039 18318 1088 1 3 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.097 0.383 18318 1089 1 3 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.595 0.605 18318 1090 1 3 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.282 -1.581 18318 1091 1 3 . 1 1 63 63 GLN H H 60 9.040 9.040 8.710 0.330 18318 1092 1 3 . 1 1 64 64 PRO C C 61 179.700 179.700 177.440 2.260 18318 1093 1 3 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.424 0.176 18318 1094 1 3 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.081 -0.281 18318 1095 1 3 . 1 1 65 65 PHE N N 62 120.500 120.500 118.916 1.584 18318 1096 1 3 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.325 -0.045 18318 1097 1 3 . 1 1 65 65 PHE C C 62 176.400 176.400 176.631 -0.231 18318 1098 1 3 . 1 1 65 65 PHE CA C 62 62.400 62.400 58.771 3.629 18318 1099 1 3 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.816 -0.215 18318 1100 1 3 . 1 1 65 65 PHE H H 62 8.500 8.500 7.974 0.526 18318 1101 1 3 . 1 1 66 66 GLU N N 63 120.200 120.200 120.298 -0.098 18318 1102 1 3 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.642 0.388 18318 1103 1 3 . 1 1 66 66 GLU C C 63 179.300 179.300 178.198 1.102 18318 1104 1 3 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.957 0.243 18318 1105 1 3 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.581 -1.081 18318 1106 1 3 . 1 1 66 66 GLU H H 63 8.900 8.900 8.179 0.721 18318 1107 1 3 . 1 1 67 67 ALA N N 64 120.600 120.600 122.411 -1.811 18318 1108 1 3 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.906 -0.036 18318 1109 1 3 . 1 1 67 67 ALA C C 64 180.500 180.500 179.783 0.717 18318 1110 1 3 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.936 -0.236 18318 1111 1 3 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.162 -0.062 18318 1112 1 3 . 1 1 67 67 ALA H H 64 8.150 8.150 7.206 0.944 18318 1113 1 3 . 1 1 68 68 PHE N N 65 120.000 120.000 116.149 3.851 18318 1114 1 3 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.180 0.140 18318 1115 1 3 . 1 1 68 68 PHE C C 65 175.400 175.400 177.726 -2.326 18318 1116 1 3 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.145 0.655 18318 1117 1 3 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.859 0.141 18318 1118 1 3 . 1 1 68 68 PHE H H 65 7.810 7.810 7.113 0.697 18318 1119 1 3 . 1 1 69 69 GLU N N 66 119.400 119.400 119.628 -0.228 18318 1120 1 3 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.918 0.252 18318 1121 1 3 . 1 1 69 69 GLU C C 66 178.800 178.800 178.876 -0.076 18318 1122 1 3 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.401 0.799 18318 1123 1 3 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.116 -0.016 18318 1124 1 3 . 1 1 69 69 GLU H H 66 8.330 8.330 7.612 0.718 18318 1125 1 3 . 1 1 70 70 GLU N N 67 118.600 118.600 119.021 -0.421 18318 1126 1 3 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.134 -0.164 18318 1127 1 3 . 1 1 70 70 GLU C C 67 177.700 177.700 178.353 -0.653 18318 1128 1 3 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.100 -0.300 18318 1129 1 3 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.705 -1.005 18318 1130 1 3 . 1 1 70 70 GLU H H 67 8.240 8.240 7.689 0.551 18318 1131 1 3 . 1 1 71 71 CYS N N 68 119.100 119.100 118.158 0.942 18318 1132 1 3 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.205 -0.125 18318 1133 1 3 . 1 1 71 71 CYS C C 68 177.900 177.900 177.378 0.522 18318 1134 1 3 . 1 1 71 71 CYS CA C 68 60.600 60.600 62.864 -2.264 18318 1135 1 3 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.542 12.458 18318 1136 1 3 . 1 1 71 71 CYS H H 68 7.580 7.580 7.540 0.040 18318 1137 1 3 . 1 1 72 72 LEU N N 69 122.000 122.000 118.184 3.816 18318 1138 1 3 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.277 -0.577 18318 1139 1 3 . 1 1 72 72 LEU C C 69 179.300 179.300 178.823 0.477 18318 1140 1 3 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.154 0.446 18318 1141 1 3 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.472 -0.472 18318 1142 1 3 . 1 1 72 72 LEU H H 69 8.090 8.090 7.701 0.389 18318 1143 1 3 . 1 1 73 73 ARG N N 70 117.400 117.400 119.194 -1.794 18318 1144 1 3 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.938 0.072 18318 1145 1 3 . 1 1 73 73 ARG C C 70 178.500 178.500 178.022 0.478 18318 1146 1 3 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.912 -0.212 18318 1147 1 3 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.059 0.041 18318 1148 1 3 . 1 1 73 73 ARG H H 70 7.600 7.600 7.482 0.118 18318 1149 1 3 . 1 1 74 74 GLN N N 71 115.800 115.800 114.121 1.679 18318 1150 1 3 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.482 -0.192 18318 1151 1 3 . 1 1 74 74 GLN C C 71 176.200 176.200 175.714 0.486 18318 1152 1 3 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.075 0.325 18318 1153 1 3 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.837 -1.637 18318 1154 1 3 . 1 1 74 74 GLN H H 71 7.580 7.580 7.606 -0.026 18318 1155 1 3 . 1 1 75 75 ASN N N 72 118.600 118.600 117.460 1.140 18318 1156 1 3 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.029 -0.039 18318 1157 1 3 . 1 1 75 75 ASN C C 72 174.800 174.800 175.376 -0.576 18318 1158 1 3 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.844 0.155 18318 1159 1 3 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.253 0.547 18318 1160 1 3 . 1 1 75 75 ASN H H 72 7.750 7.750 7.926 -0.176 18318 1161 1 3 . 1 1 76 76 GLU N N 73 120.200 120.200 121.926 -1.726 18318 1162 1 3 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.986 -0.026 18318 1163 1 3 . 1 1 76 76 GLU C C 73 176.800 176.800 177.037 -0.237 18318 1164 1 3 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.381 -0.181 18318 1165 1 3 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.199 -0.099 18318 1166 1 3 . 1 1 76 76 GLU H H 73 7.950 7.950 8.157 -0.207 18318 1167 1 3 . 1 1 77 77 ALA N N 74 119.200 119.200 120.317 -1.117 18318 1168 1 3 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.432 -0.072 18318 1169 1 3 . 1 1 77 77 ALA C C 74 175.400 175.400 177.242 -1.842 18318 1170 1 3 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.888 0.212 18318 1171 1 3 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.087 0.113 18318 1172 1 3 . 1 1 77 77 ALA H H 74 8.320 8.320 8.102 0.218 18318 1173 1 3 . 1 1 78 78 ALA N N 75 124.400 124.400 122.003 2.397 18318 1174 1 3 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.699 -0.319 18318 1175 1 3 . 1 1 78 78 ALA C C 75 177.200 177.200 178.196 -0.996 18318 1176 1 3 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.354 0.046 18318 1177 1 3 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.257 -1.257 18318 1178 1 3 . 1 1 78 78 ALA H H 75 7.900 7.900 7.445 0.455 18318 1179 1 3 . 1 1 79 79 VAL N N 76 118.400 118.400 116.144 2.256 18318 1180 1 3 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.096 -0.306 18318 1181 1 3 . 1 1 79 79 VAL CA C 76 65.100 65.100 62.981 2.119 18318 1182 1 3 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.491 -0.191 18318 1183 1 3 . 1 1 79 79 VAL H H 76 8.100 8.100 7.639 0.461 18318 1184 1 3 . 1 1 80 80 GLY C C 77 175.900 175.900 175.104 0.796 18318 1185 1 3 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.682 -0.282 18318 1186 1 3 . 1 1 81 81 ASN N N 78 119.300 119.300 117.734 1.566 18318 1187 1 3 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.947 -0.347 18318 1188 1 3 . 1 1 81 81 ASN C C 78 176.700 176.700 174.233 2.467 18318 1189 1 3 . 1 1 81 81 ASN CA C 78 54.500 54.500 55.005 -0.505 18318 1190 1 3 . 1 1 81 81 ASN CB C 78 37.300 37.300 41.252 -3.952 18318 1191 1 3 . 1 1 81 81 ASN H H 78 8.200 8.200 7.660 0.540 18318 1192 1 3 . 1 1 82 82 CYS N N 79 117.200 117.200 112.602 4.598 18318 1193 1 3 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.898 0.502 18318 1194 1 3 . 1 1 82 82 CYS C C 79 175.800 175.800 172.579 3.221 18318 1195 1 3 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.081 -2.581 18318 1196 1 3 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.327 8.973 18318 1197 1 3 . 1 1 82 82 CYS H H 79 8.330 8.330 7.591 0.739 18318 1198 1 3 . 1 1 83 83 ALA N N 80 125.000 125.000 123.971 1.029 18318 1199 1 3 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.660 -0.510 18318 1200 1 3 . 1 1 83 83 ALA C C 80 179.900 179.900 177.198 2.702 18318 1201 1 3 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.017 5.183 18318 1202 1 3 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.725 -2.525 18318 1203 1 3 . 1 1 83 83 ALA H H 80 7.700 7.700 8.062 -0.362 18318 1204 1 3 . 1 1 84 84 GLU N N 81 118.900 118.900 120.994 -2.094 18318 1205 1 3 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.095 -0.145 18318 1206 1 3 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.414 -0.414 18318 1207 1 3 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.885 -0.985 18318 1208 1 3 . 1 1 84 84 GLU H H 81 8.920 8.920 8.777 0.143 18318 1209 1 3 . 1 1 85 85 HIS C C 82 178.500 178.500 177.347 1.153 18318 1210 1 3 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.257 -3.157 18318 1211 1 3 . 1 1 86 86 MET N N 83 118.800 118.800 117.385 1.415 18318 1212 1 3 . 1 1 86 86 MET C C 83 177.200 177.200 178.296 -1.096 18318 1213 1 3 . 1 1 86 86 MET CA C 83 58.900 58.900 59.287 -0.387 18318 1214 1 3 . 1 1 86 86 MET CB C 83 31.300 31.300 32.340 -1.040 18318 1215 1 3 . 1 1 86 86 MET H H 83 7.460 7.460 8.506 -1.046 18318 1216 1 3 . 1 1 87 87 ARG N N 84 119.500 119.500 117.799 1.701 18318 1217 1 3 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.857 0.053 18318 1218 1 3 . 1 1 87 87 ARG C C 84 178.600 178.600 178.301 0.299 18318 1219 1 3 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.065 1.835 18318 1220 1 3 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.842 0.658 18318 1221 1 3 . 1 1 87 87 ARG H H 84 8.220 8.220 7.414 0.806 18318 1222 1 3 . 1 1 88 88 ARG N N 85 117.900 117.900 119.448 -1.548 18318 1223 1 3 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.364 -0.444 18318 1224 1 3 . 1 1 88 88 ARG C C 85 179.700 179.700 178.964 0.736 18318 1225 1 3 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.991 -0.491 18318 1226 1 3 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.040 -0.040 18318 1227 1 3 . 1 1 88 88 ARG H H 85 8.100 8.100 8.399 -0.299 18318 1228 1 3 . 1 1 89 89 PHE N N 86 119.700 119.700 119.171 0.529 18318 1229 1 3 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.266 0.084 18318 1230 1 3 . 1 1 89 89 PHE C C 86 175.600 175.600 176.756 -1.156 18318 1231 1 3 . 1 1 89 89 PHE CA C 86 61.100 61.100 59.096 2.004 18318 1232 1 3 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.028 -1.228 18318 1233 1 3 . 1 1 89 89 PHE H H 86 7.930 7.930 8.171 -0.241 18318 1234 1 3 . 1 1 90 90 LEU N N 87 120.400 120.400 119.470 0.930 18318 1235 1 3 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.977 -0.267 18318 1236 1 3 . 1 1 90 90 LEU C C 87 179.200 179.200 178.408 0.792 18318 1237 1 3 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.307 0.393 18318 1238 1 3 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.218 -1.918 18318 1239 1 3 . 1 1 90 90 LEU H H 87 8.640 8.640 7.011 1.629 18318 1240 1 3 . 1 1 91 91 GLN N N 88 118.200 118.200 119.133 -0.933 18318 1241 1 3 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.160 -0.120 18318 1242 1 3 . 1 1 91 91 GLN C C 88 178.000 178.000 178.449 -0.449 18318 1243 1 3 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.095 -0.395 18318 1244 1 3 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.740 -0.740 18318 1245 1 3 . 1 1 91 91 GLN H H 88 8.380 8.380 8.855 -0.475 18318 1246 1 3 . 1 1 92 92 CYS N N 89 119.000 119.000 117.359 1.641 18318 1247 1 3 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.347 -0.297 18318 1248 1 3 . 1 1 92 92 CYS C C 89 176.600 176.600 176.648 -0.048 18318 1249 1 3 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.941 -1.841 18318 1250 1 3 . 1 1 92 92 CYS CB C 89 39.500 39.500 26.127 13.373 18318 1251 1 3 . 1 1 92 92 CYS H H 89 7.390 7.390 7.821 -0.431 18318 1252 1 3 . 1 1 93 93 ALA N N 90 122.900 122.900 120.708 2.192 18318 1253 1 3 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.053 -0.143 18318 1254 1 3 . 1 1 93 93 ALA C C 90 179.200 179.200 179.740 -0.540 18318 1255 1 3 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.535 0.165 18318 1256 1 3 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.040 -0.240 18318 1257 1 3 . 1 1 93 93 ALA H H 90 8.410 8.410 7.487 0.923 18318 1258 1 3 . 1 1 94 94 GLU N N 91 115.800 115.800 118.831 -3.031 18318 1259 1 3 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.190 -0.040 18318 1260 1 3 . 1 1 94 94 GLU C C 91 177.400 177.400 178.046 -0.646 18318 1261 1 3 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.142 -0.242 18318 1262 1 3 . 1 1 94 94 GLU CB C 91 29.400 29.400 30.300 -0.900 18318 1263 1 3 . 1 1 94 94 GLU H H 91 7.880 7.880 7.610 0.270 18318 1264 1 3 . 1 1 95 95 GLN N N 92 115.500 115.500 117.894 -2.394 18318 1265 1 3 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.462 -0.172 18318 1266 1 3 . 1 1 95 95 GLN C C 92 176.600 176.600 175.734 0.866 18318 1267 1 3 . 1 1 95 95 GLN CA C 92 56.300 56.300 54.734 1.566 18318 1268 1 3 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.148 -0.248 18318 1269 1 3 . 1 1 95 95 GLN H H 92 7.450 7.450 8.012 -0.562 18318 1270 1 4 . 1 1 15 15 CYS N N 12 117.500 117.500 125.707 -8.207 18318 1271 1 4 . 1 1 15 15 CYS C C 12 175.500 175.500 174.394 1.106 18318 1272 1 4 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.688 -4.988 18318 1273 1 4 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.314 6.386 18318 1274 1 4 . 1 1 15 15 CYS H H 12 8.280 8.280 8.456 -0.176 18318 1275 1 4 . 1 1 16 16 GLY N N 13 108.700 108.700 112.371 -3.671 18318 1276 1 4 . 1 1 16 16 GLY C C 13 176.600 176.600 175.302 1.298 18318 1277 1 4 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.097 0.803 18318 1278 1 4 . 1 1 16 16 GLY H H 13 8.080 8.080 8.820 -0.740 18318 1279 1 4 . 1 1 17 17 ARG N N 14 123.300 123.300 119.436 3.864 18318 1280 1 4 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.127 -0.167 18318 1281 1 4 . 1 1 17 17 ARG C C 14 179.300 179.300 177.816 1.484 18318 1282 1 4 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.162 1.038 18318 1283 1 4 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.469 -0.369 18318 1284 1 4 . 1 1 17 17 ARG H H 14 8.630 8.630 8.404 0.226 18318 1285 1 4 . 1 1 18 18 GLU N N 15 121.900 121.900 121.172 0.728 18318 1286 1 4 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.343 -0.173 18318 1287 1 4 . 1 1 18 18 GLU C C 15 177.900 177.900 178.468 -0.568 18318 1288 1 4 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.111 1.988 18318 1289 1 4 . 1 1 18 18 GLU CB C 15 28.200 28.200 30.204 -2.005 18318 1290 1 4 . 1 1 18 18 GLU H H 15 9.670 9.670 7.522 2.148 18318 1291 1 4 . 1 1 19 19 LEU N N 16 119.400 119.400 120.318 -0.918 18318 1292 1 4 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.628 2.272 18318 1293 1 4 . 1 1 19 19 LEU H H 16 8.090 8.090 7.662 0.428 18318 1294 1 4 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.115 -0.435 18318 1295 1 4 . 1 1 20 20 GLU C C 17 177.200 177.200 178.856 -1.656 18318 1296 1 4 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.227 0.073 18318 1297 1 4 . 1 1 20 20 GLU CB C 17 29.000 29.000 30.071 -1.071 18318 1298 1 4 . 1 1 21 21 GLN N N 18 118.500 118.500 118.719 -0.219 18318 1299 1 4 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.093 -0.053 18318 1300 1 4 . 1 1 21 21 GLN C C 18 177.200 177.200 178.518 -1.318 18318 1301 1 4 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.687 0.313 18318 1302 1 4 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.704 -0.004 18318 1303 1 4 . 1 1 21 21 GLN H H 18 8.560 8.560 7.861 0.699 18318 1304 1 4 . 1 1 22 22 TYR N N 19 120.700 120.700 122.039 -1.339 18318 1305 1 4 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.646 -0.366 18318 1306 1 4 . 1 1 22 22 TYR C C 19 176.600 176.600 177.464 -0.864 18318 1307 1 4 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.630 1.470 18318 1308 1 4 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.566 0.334 18318 1309 1 4 . 1 1 22 22 TYR H H 19 8.120 8.120 8.858 -0.738 18318 1310 1 4 . 1 1 23 23 GLY N N 20 105.600 105.600 107.716 -2.116 18318 1311 1 4 . 1 1 23 23 GLY C C 20 176.700 176.700 175.913 0.787 18318 1312 1 4 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.932 0.168 18318 1313 1 4 . 1 1 23 23 GLY H H 20 8.390 8.390 7.529 0.861 18318 1314 1 4 . 1 1 24 24 GLN N N 21 120.300 120.300 120.224 0.076 18318 1315 1 4 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.127 -0.077 18318 1316 1 4 . 1 1 24 24 GLN C C 21 178.000 178.000 178.497 -0.497 18318 1317 1 4 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.471 0.129 18318 1318 1 4 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.791 -1.190 18318 1319 1 4 . 1 1 24 24 GLN H H 21 8.130 8.130 7.793 0.337 18318 1320 1 4 . 1 1 25 25 CYS N N 22 121.500 121.500 118.648 2.852 18318 1321 1 4 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.232 0.048 18318 1322 1 4 . 1 1 25 25 CYS C C 22 175.400 175.400 176.601 -1.201 18318 1323 1 4 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.864 -2.264 18318 1324 1 4 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.701 13.199 18318 1325 1 4 . 1 1 25 25 CYS H H 22 7.610 7.610 7.652 -0.042 18318 1326 1 4 . 1 1 26 26 VAL N N 23 119.900 119.900 119.985 -0.085 18318 1327 1 4 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.064 -0.274 18318 1328 1 4 . 1 1 26 26 VAL C C 23 177.100 177.100 176.867 0.233 18318 1329 1 4 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.077 0.823 18318 1330 1 4 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.857 -2.557 18318 1331 1 4 . 1 1 26 26 VAL H H 23 8.040 8.040 8.003 0.037 18318 1332 1 4 . 1 1 27 27 ALA N N 24 117.400 117.400 121.443 -4.043 18318 1333 1 4 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.114 -0.014 18318 1334 1 4 . 1 1 27 27 ALA C C 24 178.600 178.600 178.666 -0.066 18318 1335 1 4 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.485 -0.385 18318 1336 1 4 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.700 -0.800 18318 1337 1 4 . 1 1 27 27 ALA H H 24 7.430 7.430 7.758 -0.328 18318 1338 1 4 . 1 1 28 28 ALA N N 25 116.100 116.100 120.664 -4.564 18318 1339 1 4 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.170 0.160 18318 1340 1 4 . 1 1 28 28 ALA C C 25 178.100 178.100 178.129 -0.029 18318 1341 1 4 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.803 -1.203 18318 1342 1 4 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.593 -0.493 18318 1343 1 4 . 1 1 28 28 ALA H H 25 7.120 7.120 7.550 -0.430 18318 1344 1 4 . 1 1 29 29 LYS N N 26 119.200 119.200 113.945 5.255 18318 1345 1 4 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.497 5.203 18318 1346 1 4 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.811 -2.711 18318 1347 1 4 . 1 1 29 29 LYS H H 26 7.560 7.560 7.558 0.002 18318 1348 1 4 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.361 -0.151 18318 1349 1 4 . 1 1 30 30 PRO C C 27 177.000 177.000 178.359 -1.359 18318 1350 1 4 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.445 0.455 18318 1351 1 4 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.034 -0.434 18318 1352 1 4 . 1 1 31 31 GLU N N 28 114.600 114.600 118.755 -4.155 18318 1353 1 4 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.411 0.039 18318 1354 1 4 . 1 1 31 31 GLU C C 28 176.100 176.100 178.623 -2.523 18318 1355 1 4 . 1 1 31 31 GLU CA C 28 57.200 57.200 57.974 -0.774 18318 1356 1 4 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.896 0.704 18318 1357 1 4 . 1 1 31 31 GLU H H 28 8.770 8.770 8.867 -0.097 18318 1358 1 4 . 1 1 32 32 SER N N 29 111.000 111.000 115.663 -4.663 18318 1359 1 4 . 1 1 32 32 SER HA H 29 4.510 4.510 4.233 0.277 18318 1360 1 4 . 1 1 32 32 SER C C 29 176.600 176.600 175.956 0.644 18318 1361 1 4 . 1 1 32 32 SER CA C 29 58.500 58.500 60.574 -2.074 18318 1362 1 4 . 1 1 32 32 SER CB C 29 63.800 63.800 62.782 1.018 18318 1363 1 4 . 1 1 32 32 SER H H 29 7.750 7.750 8.483 -0.733 18318 1364 1 4 . 1 1 33 33 TRP N N 30 125.000 125.000 123.320 1.680 18318 1365 1 4 . 1 1 33 33 TRP C C 30 177.200 177.200 177.167 0.033 18318 1366 1 4 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.849 -0.849 18318 1367 1 4 . 1 1 33 33 TRP CB C 30 29.500 29.500 29.049 0.451 18318 1368 1 4 . 1 1 33 33 TRP H H 30 7.820 7.820 7.734 0.086 18318 1369 1 4 . 1 1 34 34 GLN N N 31 123.600 123.600 118.078 5.522 18318 1370 1 4 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.086 0.364 18318 1371 1 4 . 1 1 34 34 GLN C C 31 176.800 176.800 178.340 -1.540 18318 1372 1 4 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.857 2.043 18318 1373 1 4 . 1 1 34 34 GLN CB C 31 26.500 26.500 29.286 -2.786 18318 1374 1 4 . 1 1 34 34 GLN H H 31 8.240 8.240 7.722 0.518 18318 1375 1 4 . 1 1 35 35 ARG N N 32 115.900 115.900 118.878 -2.978 18318 1376 1 4 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.011 0.269 18318 1377 1 4 . 1 1 35 35 ARG C C 32 178.900 178.900 178.046 0.854 18318 1378 1 4 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.987 -1.587 18318 1379 1 4 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.321 0.979 18318 1380 1 4 . 1 1 35 35 ARG H H 32 7.450 7.450 7.627 -0.177 18318 1381 1 4 . 1 1 36 36 ASP N N 33 117.700 117.700 118.848 -1.148 18318 1382 1 4 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.578 -0.438 18318 1383 1 4 . 1 1 36 36 ASP C C 33 177.600 177.600 176.963 0.637 18318 1384 1 4 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.735 0.465 18318 1385 1 4 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.968 -1.068 18318 1386 1 4 . 1 1 36 36 ASP H H 33 8.760 8.760 8.101 0.659 18318 1387 1 4 . 1 1 37 37 CYS N N 34 113.300 113.300 118.643 -5.343 18318 1388 1 4 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.644 0.756 18318 1389 1 4 . 1 1 37 37 CYS C C 34 175.800 175.800 175.078 0.722 18318 1390 1 4 . 1 1 37 37 CYS CA C 34 53.100 53.100 58.287 -5.187 18318 1391 1 4 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.027 14.473 18318 1392 1 4 . 1 1 37 37 CYS H H 34 8.260 8.260 7.687 0.573 18318 1393 1 4 . 1 1 38 38 HIS N N 35 124.200 124.200 125.241 -1.041 18318 1394 1 4 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.344 0.006 18318 1395 1 4 . 1 1 38 38 HIS C C 35 177.400 177.400 175.913 1.487 18318 1396 1 4 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.014 1.986 18318 1397 1 4 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.802 -0.202 18318 1398 1 4 . 1 1 38 38 HIS H H 35 7.520 7.520 7.910 -0.390 18318 1399 1 4 . 1 1 39 39 TYR N N 36 117.100 117.100 117.611 -0.511 18318 1400 1 4 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.196 0.104 18318 1401 1 4 . 1 1 39 39 TYR C C 36 177.700 177.700 176.431 1.269 18318 1402 1 4 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.951 -0.351 18318 1403 1 4 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.064 -1.864 18318 1404 1 4 . 1 1 39 39 TYR H H 36 8.930 8.930 8.675 0.255 18318 1405 1 4 . 1 1 40 40 LEU N N 37 122.000 122.000 117.893 4.107 18318 1406 1 4 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.098 0.072 18318 1407 1 4 . 1 1 40 40 LEU C C 37 179.400 179.400 178.468 0.932 18318 1408 1 4 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.367 -0.868 18318 1409 1 4 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.818 0.582 18318 1410 1 4 . 1 1 40 40 LEU H H 37 6.940 6.940 7.936 -0.996 18318 1411 1 4 . 1 1 41 41 LYS N N 38 125.300 125.300 119.095 6.205 18318 1412 1 4 . 1 1 41 41 LYS C C 38 179.600 179.600 178.942 0.658 18318 1413 1 4 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.517 1.083 18318 1414 1 4 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.065 -0.065 18318 1415 1 4 . 1 1 41 41 LYS H H 38 7.880 7.880 7.266 0.614 18318 1416 1 4 . 1 1 42 42 MET N N 39 117.600 117.600 117.414 0.186 18318 1417 1 4 . 1 1 42 42 MET HA H 39 4.120 4.120 4.392 -0.272 18318 1418 1 4 . 1 1 42 42 MET C C 39 178.900 178.900 177.683 1.217 18318 1419 1 4 . 1 1 42 42 MET CA C 39 57.200 57.200 57.144 0.056 18318 1420 1 4 . 1 1 42 42 MET CB C 39 30.000 30.000 32.459 -2.459 18318 1421 1 4 . 1 1 42 42 MET H H 39 8.090 8.090 7.534 0.556 18318 1422 1 4 . 1 1 43 43 SER N N 40 115.900 115.900 116.677 -0.777 18318 1423 1 4 . 1 1 43 43 SER HA H 40 4.290 4.290 4.281 0.009 18318 1424 1 4 . 1 1 43 43 SER C C 40 177.400 177.400 176.437 0.963 18318 1425 1 4 . 1 1 43 43 SER CA C 40 61.700 61.700 62.244 -0.544 18318 1426 1 4 . 1 1 43 43 SER CB C 40 62.500 62.500 63.476 -0.976 18318 1427 1 4 . 1 1 43 43 SER H H 40 7.600 7.600 7.799 -0.199 18318 1428 1 4 . 1 1 44 44 ILE N N 41 121.900 121.900 117.883 4.017 18318 1429 1 4 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.952 -0.412 18318 1430 1 4 . 1 1 44 44 ILE C C 41 177.500 177.500 177.091 0.409 18318 1431 1 4 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.179 1.921 18318 1432 1 4 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.582 0.318 18318 1433 1 4 . 1 1 44 44 ILE H H 41 7.540 7.540 7.917 -0.377 18318 1434 1 4 . 1 1 45 45 ALA N N 42 122.600 122.600 122.128 0.472 18318 1435 1 4 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.033 0.147 18318 1436 1 4 . 1 1 45 45 ALA C C 42 180.200 180.200 179.997 0.203 18318 1437 1 4 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.337 -0.537 18318 1438 1 4 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.092 -0.792 18318 1439 1 4 . 1 1 45 45 ALA H H 42 7.420 7.420 7.881 -0.461 18318 1440 1 4 . 1 1 46 46 GLN N N 43 118.400 118.400 117.221 1.179 18318 1441 1 4 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.189 -0.219 18318 1442 1 4 . 1 1 46 46 GLN C C 43 178.500 178.500 178.003 0.497 18318 1443 1 4 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.143 0.557 18318 1444 1 4 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.726 -0.926 18318 1445 1 4 . 1 1 46 46 GLN H H 43 8.290 8.290 7.964 0.326 18318 1446 1 4 . 1 1 47 47 CYS N N 44 119.500 119.500 119.783 -0.283 18318 1447 1 4 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.208 -0.118 18318 1448 1 4 . 1 1 47 47 CYS C C 44 176.500 176.500 176.900 -0.400 18318 1449 1 4 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.403 -2.103 18318 1450 1 4 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.435 13.465 18318 1451 1 4 . 1 1 47 47 CYS H H 44 7.590 7.590 7.857 -0.267 18318 1452 1 4 . 1 1 48 48 THR N N 45 113.000 113.000 116.193 -3.193 18318 1453 1 4 . 1 1 48 48 THR C C 45 175.900 175.900 176.618 -0.718 18318 1454 1 4 . 1 1 48 48 THR CA C 45 65.400 65.400 65.633 -0.233 18318 1455 1 4 . 1 1 48 48 THR CB C 45 68.800 68.800 68.835 -0.035 18318 1456 1 4 . 1 1 48 48 THR H H 45 8.810 8.810 7.791 1.019 18318 1457 1 4 . 1 1 49 49 SER N N 46 113.200 113.200 117.078 -3.878 18318 1458 1 4 . 1 1 49 49 SER HA H 46 4.380 4.380 4.220 0.160 18318 1459 1 4 . 1 1 49 49 SER C C 46 175.600 175.600 175.831 -0.231 18318 1460 1 4 . 1 1 49 49 SER CA C 46 60.000 60.000 60.968 -0.968 18318 1461 1 4 . 1 1 49 49 SER CB C 46 63.900 63.900 63.261 0.638 18318 1462 1 4 . 1 1 49 49 SER H H 46 7.890 7.890 7.818 0.072 18318 1463 1 4 . 1 1 50 50 SER N N 47 114.100 114.100 114.582 -0.482 18318 1464 1 4 . 1 1 50 50 SER HA H 47 4.390 4.390 4.471 -0.081 18318 1465 1 4 . 1 1 50 50 SER CA C 47 59.100 59.100 58.825 0.275 18318 1466 1 4 . 1 1 50 50 SER CB C 47 64.800 64.800 64.182 0.618 18318 1467 1 4 . 1 1 50 50 SER H H 47 7.770 7.770 7.561 0.209 18318 1468 1 4 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.144 0.446 18318 1469 1 4 . 1 1 55 55 ARG C C 52 178.500 178.500 177.682 0.818 18318 1470 1 4 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.532 1.468 18318 1471 1 4 . 1 1 56 56 GLN N N 53 117.700 117.700 117.508 0.192 18318 1472 1 4 . 1 1 56 56 GLN C C 53 175.000 175.000 178.099 -3.099 18318 1473 1 4 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.808 1.392 18318 1474 1 4 . 1 1 56 56 GLN H H 53 8.110 8.110 8.674 -0.564 18318 1475 1 4 . 1 1 57 57 ILE N N 54 121.200 121.200 119.531 1.669 18318 1476 1 4 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.683 -0.363 18318 1477 1 4 . 1 1 57 57 ILE C C 54 178.700 178.700 177.916 0.784 18318 1478 1 4 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.572 1.428 18318 1479 1 4 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.619 0.081 18318 1480 1 4 . 1 1 57 57 ILE H H 54 7.820 7.820 7.386 0.434 18318 1481 1 4 . 1 1 58 58 ARG N N 55 118.900 118.900 118.238 0.662 18318 1482 1 4 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.981 0.329 18318 1483 1 4 . 1 1 58 58 ARG C C 55 178.600 178.600 177.223 1.377 18318 1484 1 4 . 1 1 58 58 ARG CA C 55 59.900 59.900 57.841 2.059 18318 1485 1 4 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.361 1.139 18318 1486 1 4 . 1 1 58 58 ARG H H 55 8.250 8.250 7.732 0.518 18318 1487 1 4 . 1 1 59 59 GLN N N 56 115.800 115.800 118.186 -2.386 18318 1488 1 4 . 1 1 59 59 GLN C C 56 178.100 178.100 177.269 0.831 18318 1489 1 4 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.587 -0.587 18318 1490 1 4 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.651 0.149 18318 1491 1 4 . 1 1 59 59 GLN H H 56 7.920 7.920 7.545 0.375 18318 1492 1 4 . 1 1 60 60 ALA N N 57 121.600 121.600 120.277 1.323 18318 1493 1 4 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.035 0.145 18318 1494 1 4 . 1 1 60 60 ALA C C 57 179.600 179.600 178.489 1.111 18318 1495 1 4 . 1 1 60 60 ALA CA C 57 54.500 54.500 54.516 -0.016 18318 1496 1 4 . 1 1 60 60 ALA CB C 57 18.900 18.900 18.986 -0.087 18318 1497 1 4 . 1 1 60 60 ALA H H 57 8.490 8.490 7.371 1.119 18318 1498 1 4 . 1 1 61 61 CYS N N 58 114.000 114.000 116.630 -2.630 18318 1499 1 4 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.476 0.654 18318 1500 1 4 . 1 1 61 61 CYS C C 58 175.000 175.000 174.850 0.150 18318 1501 1 4 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.959 -7.259 18318 1502 1 4 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.254 15.546 18318 1503 1 4 . 1 1 61 61 CYS H H 58 8.370 8.370 8.230 0.140 18318 1504 1 4 . 1 1 62 62 ALA N N 59 124.900 124.900 127.371 -2.471 18318 1505 1 4 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.469 -0.199 18318 1506 1 4 . 1 1 62 62 ALA C C 59 179.200 179.200 178.393 0.807 18318 1507 1 4 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.894 3.606 18318 1508 1 4 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.938 -1.138 18318 1509 1 4 . 1 1 62 62 ALA H H 59 7.200 7.200 8.348 -1.148 18318 1510 1 4 . 1 1 63 63 GLN N N 60 115.800 115.800 119.774 -3.974 18318 1511 1 4 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.018 0.462 18318 1512 1 4 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.986 0.214 18318 1513 1 4 . 1 1 63 63 GLN CB C 60 24.700 24.700 27.048 -2.348 18318 1514 1 4 . 1 1 63 63 GLN H H 60 9.040 9.040 8.838 0.202 18318 1515 1 4 . 1 1 64 64 PRO C C 61 179.700 179.700 177.802 1.898 18318 1516 1 4 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.089 0.511 18318 1517 1 4 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.048 -0.248 18318 1518 1 4 . 1 1 65 65 PHE N N 62 120.500 120.500 118.665 1.835 18318 1519 1 4 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.258 0.022 18318 1520 1 4 . 1 1 65 65 PHE C C 62 176.400 176.400 176.699 -0.299 18318 1521 1 4 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.283 3.116 18318 1522 1 4 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.782 -0.182 18318 1523 1 4 . 1 1 65 65 PHE H H 62 8.500 8.500 8.194 0.306 18318 1524 1 4 . 1 1 66 66 GLU N N 63 120.200 120.200 121.007 -0.807 18318 1525 1 4 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.589 0.441 18318 1526 1 4 . 1 1 66 66 GLU C C 63 179.300 179.300 178.239 1.061 18318 1527 1 4 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.214 -0.014 18318 1528 1 4 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.516 -1.016 18318 1529 1 4 . 1 1 66 66 GLU H H 63 8.900 8.900 8.269 0.631 18318 1530 1 4 . 1 1 67 67 ALA N N 64 120.600 120.600 121.975 -1.375 18318 1531 1 4 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.892 -0.022 18318 1532 1 4 . 1 1 67 67 ALA C C 64 180.500 180.500 179.787 0.713 18318 1533 1 4 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.874 -0.174 18318 1534 1 4 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.997 0.103 18318 1535 1 4 . 1 1 67 67 ALA H H 64 8.150 8.150 7.212 0.938 18318 1536 1 4 . 1 1 68 68 PHE N N 65 120.000 120.000 116.170 3.830 18318 1537 1 4 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.175 0.145 18318 1538 1 4 . 1 1 68 68 PHE C C 65 175.400 175.400 177.606 -2.206 18318 1539 1 4 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.362 0.438 18318 1540 1 4 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.976 0.024 18318 1541 1 4 . 1 1 68 68 PHE H H 65 7.810 7.810 6.953 0.857 18318 1542 1 4 . 1 1 69 69 GLU N N 66 119.400 119.400 120.103 -0.703 18318 1543 1 4 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.854 0.316 18318 1544 1 4 . 1 1 69 69 GLU C C 66 178.800 178.800 178.558 0.242 18318 1545 1 4 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.079 1.121 18318 1546 1 4 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.048 0.052 18318 1547 1 4 . 1 1 69 69 GLU H H 66 8.330 8.330 7.614 0.716 18318 1548 1 4 . 1 1 70 70 GLU N N 67 118.600 118.600 119.071 -0.471 18318 1549 1 4 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.106 -0.136 18318 1550 1 4 . 1 1 70 70 GLU C C 67 177.700 177.700 178.480 -0.780 18318 1551 1 4 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.174 -0.374 18318 1552 1 4 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.673 -0.973 18318 1553 1 4 . 1 1 70 70 GLU H H 67 8.240 8.240 7.944 0.296 18318 1554 1 4 . 1 1 71 71 CYS N N 68 119.100 119.100 118.451 0.649 18318 1555 1 4 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.227 -0.147 18318 1556 1 4 . 1 1 71 71 CYS C C 68 177.900 177.900 177.482 0.418 18318 1557 1 4 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.331 -2.732 18318 1558 1 4 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.553 12.447 18318 1559 1 4 . 1 1 71 71 CYS H H 68 7.580 7.580 7.443 0.137 18318 1560 1 4 . 1 1 72 72 LEU N N 69 122.000 122.000 118.581 3.419 18318 1561 1 4 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.253 -0.553 18318 1562 1 4 . 1 1 72 72 LEU C C 69 179.300 179.300 178.853 0.447 18318 1563 1 4 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.163 0.437 18318 1564 1 4 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.547 -0.547 18318 1565 1 4 . 1 1 72 72 LEU H H 69 8.090 8.090 7.831 0.259 18318 1566 1 4 . 1 1 73 73 ARG N N 70 117.400 117.400 118.935 -1.535 18318 1567 1 4 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.977 0.033 18318 1568 1 4 . 1 1 73 73 ARG C C 70 178.500 178.500 178.113 0.387 18318 1569 1 4 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.518 0.182 18318 1570 1 4 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.904 0.196 18318 1571 1 4 . 1 1 73 73 ARG H H 70 7.600 7.600 7.460 0.140 18318 1572 1 4 . 1 1 74 74 GLN N N 71 115.800 115.800 116.117 -0.317 18318 1573 1 4 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.387 -0.097 18318 1574 1 4 . 1 1 74 74 GLN C C 71 176.200 176.200 176.570 -0.370 18318 1575 1 4 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.990 -0.590 18318 1576 1 4 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.359 -1.159 18318 1577 1 4 . 1 1 74 74 GLN H H 71 7.580 7.580 7.715 -0.135 18318 1578 1 4 . 1 1 75 75 ASN N N 72 118.600 118.600 120.667 -2.067 18318 1579 1 4 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.944 0.046 18318 1580 1 4 . 1 1 75 75 ASN C C 72 174.800 174.800 175.247 -0.447 18318 1581 1 4 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.573 0.427 18318 1582 1 4 . 1 1 75 75 ASN CB C 72 39.800 39.800 37.732 2.068 18318 1583 1 4 . 1 1 75 75 ASN H H 72 7.750 7.750 8.461 -0.711 18318 1584 1 4 . 1 1 76 76 GLU N N 73 120.200 120.200 121.883 -1.683 18318 1585 1 4 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.994 -0.034 18318 1586 1 4 . 1 1 76 76 GLU C C 73 176.800 176.800 176.762 0.038 18318 1587 1 4 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.052 0.148 18318 1588 1 4 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.286 -0.186 18318 1589 1 4 . 1 1 76 76 GLU H H 73 7.950 7.950 7.992 -0.042 18318 1590 1 4 . 1 1 77 77 ALA N N 74 119.200 119.200 120.552 -1.352 18318 1591 1 4 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.443 -0.083 18318 1592 1 4 . 1 1 77 77 ALA C C 74 175.400 175.400 177.122 -1.722 18318 1593 1 4 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.698 0.402 18318 1594 1 4 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.154 0.046 18318 1595 1 4 . 1 1 77 77 ALA H H 74 8.320 8.320 8.081 0.239 18318 1596 1 4 . 1 1 78 78 ALA N N 75 124.400 124.400 122.752 1.648 18318 1597 1 4 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.689 -0.309 18318 1598 1 4 . 1 1 78 78 ALA C C 75 177.200 177.200 178.295 -1.095 18318 1599 1 4 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.657 -0.257 18318 1600 1 4 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.540 -1.540 18318 1601 1 4 . 1 1 78 78 ALA H H 75 7.900 7.900 7.431 0.469 18318 1602 1 4 . 1 1 79 79 VAL N N 76 118.400 118.400 119.108 -0.708 18318 1603 1 4 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.157 -0.367 18318 1604 1 4 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.845 1.255 18318 1605 1 4 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.549 0.750 18318 1606 1 4 . 1 1 79 79 VAL H H 76 8.100 8.100 8.306 -0.206 18318 1607 1 4 . 1 1 80 80 GLY C C 77 175.900 175.900 175.664 0.236 18318 1608 1 4 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.294 0.106 18318 1609 1 4 . 1 1 81 81 ASN N N 78 119.300 119.300 118.415 0.885 18318 1610 1 4 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.792 -0.192 18318 1611 1 4 . 1 1 81 81 ASN C C 78 176.700 176.700 174.933 1.767 18318 1612 1 4 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.438 1.062 18318 1613 1 4 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.860 -2.560 18318 1614 1 4 . 1 1 81 81 ASN H H 78 8.200 8.200 8.053 0.147 18318 1615 1 4 . 1 1 82 82 CYS N N 79 117.200 117.200 114.995 2.205 18318 1616 1 4 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.883 0.517 18318 1617 1 4 . 1 1 82 82 CYS C C 79 175.800 175.800 172.522 3.278 18318 1618 1 4 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.370 -2.870 18318 1619 1 4 . 1 1 82 82 CYS CB C 79 39.300 39.300 31.538 7.762 18318 1620 1 4 . 1 1 82 82 CYS H H 79 8.330 8.330 7.606 0.724 18318 1621 1 4 . 1 1 83 83 ALA N N 80 125.000 125.000 124.254 0.746 18318 1622 1 4 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.791 -0.641 18318 1623 1 4 . 1 1 83 83 ALA C C 80 179.900 179.900 177.425 2.475 18318 1624 1 4 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.819 5.381 18318 1625 1 4 . 1 1 83 83 ALA CB C 80 18.200 18.200 18.473 -0.273 18318 1626 1 4 . 1 1 83 83 ALA H H 80 7.700 7.700 8.661 -0.961 18318 1627 1 4 . 1 1 84 84 GLU N N 81 118.900 118.900 126.189 -7.289 18318 1628 1 4 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.782 0.168 18318 1629 1 4 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.727 -0.727 18318 1630 1 4 . 1 1 84 84 GLU CB C 81 28.900 28.900 28.918 -0.018 18318 1631 1 4 . 1 1 84 84 GLU H H 81 8.920 8.920 8.776 0.144 18318 1632 1 4 . 1 1 85 85 HIS C C 82 178.500 178.500 176.944 1.556 18318 1633 1 4 . 1 1 85 85 HIS CA C 82 56.100 56.100 60.329 -4.229 18318 1634 1 4 . 1 1 86 86 MET N N 83 118.800 118.800 118.106 0.694 18318 1635 1 4 . 1 1 86 86 MET C C 83 177.200 177.200 178.359 -1.159 18318 1636 1 4 . 1 1 86 86 MET CA C 83 58.900 58.900 58.374 0.526 18318 1637 1 4 . 1 1 86 86 MET CB C 83 31.300 31.300 32.499 -1.199 18318 1638 1 4 . 1 1 86 86 MET H H 83 7.460 7.460 7.783 -0.323 18318 1639 1 4 . 1 1 87 87 ARG N N 84 119.500 119.500 118.826 0.674 18318 1640 1 4 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.738 0.172 18318 1641 1 4 . 1 1 87 87 ARG C C 84 178.600 178.600 178.146 0.454 18318 1642 1 4 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.831 1.069 18318 1643 1 4 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.406 1.094 18318 1644 1 4 . 1 1 87 87 ARG H H 84 8.220 8.220 8.502 -0.282 18318 1645 1 4 . 1 1 88 88 ARG N N 85 117.900 117.900 119.857 -1.957 18318 1646 1 4 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.144 -0.224 18318 1647 1 4 . 1 1 88 88 ARG C C 85 179.700 179.700 178.508 1.192 18318 1648 1 4 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.206 -0.706 18318 1649 1 4 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.154 -0.154 18318 1650 1 4 . 1 1 88 88 ARG H H 85 8.100 8.100 8.044 0.056 18318 1651 1 4 . 1 1 89 89 PHE N N 86 119.700 119.700 118.987 0.713 18318 1652 1 4 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.292 0.058 18318 1653 1 4 . 1 1 89 89 PHE C C 86 175.600 175.600 177.659 -2.059 18318 1654 1 4 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.654 0.446 18318 1655 1 4 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.238 -1.438 18318 1656 1 4 . 1 1 89 89 PHE H H 86 7.930 7.930 7.536 0.394 18318 1657 1 4 . 1 1 90 90 LEU N N 87 120.400 120.400 120.877 -0.477 18318 1658 1 4 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.948 -0.238 18318 1659 1 4 . 1 1 90 90 LEU C C 87 179.200 179.200 178.547 0.653 18318 1660 1 4 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.294 -0.594 18318 1661 1 4 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.939 -1.639 18318 1662 1 4 . 1 1 90 90 LEU H H 87 8.640 8.640 8.328 0.312 18318 1663 1 4 . 1 1 91 91 GLN N N 88 118.200 118.200 118.625 -0.425 18318 1664 1 4 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.092 -0.052 18318 1665 1 4 . 1 1 91 91 GLN C C 88 178.000 178.000 178.518 -0.518 18318 1666 1 4 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.022 -0.321 18318 1667 1 4 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.996 -0.996 18318 1668 1 4 . 1 1 91 91 GLN H H 88 8.380 8.380 8.486 -0.106 18318 1669 1 4 . 1 1 92 92 CYS N N 89 119.000 119.000 117.336 1.664 18318 1670 1 4 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.142 -0.092 18318 1671 1 4 . 1 1 92 92 CYS C C 89 176.600 176.600 177.177 -0.577 18318 1672 1 4 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.296 -2.196 18318 1673 1 4 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.674 13.826 18318 1674 1 4 . 1 1 92 92 CYS H H 89 7.390 7.390 7.994 -0.604 18318 1675 1 4 . 1 1 93 93 ALA N N 90 122.900 122.900 121.874 1.026 18318 1676 1 4 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.972 -0.062 18318 1677 1 4 . 1 1 93 93 ALA C C 90 179.200 179.200 178.666 0.534 18318 1678 1 4 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.286 0.414 18318 1679 1 4 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.632 -0.832 18318 1680 1 4 . 1 1 93 93 ALA H H 90 8.410 8.410 7.506 0.904 18318 1681 1 4 . 1 1 94 94 GLU N N 91 115.800 115.800 117.507 -1.707 18318 1682 1 4 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.217 -0.067 18318 1683 1 4 . 1 1 94 94 GLU C C 91 177.400 177.400 177.639 -0.239 18318 1684 1 4 . 1 1 94 94 GLU CA C 91 57.900 57.900 56.915 0.985 18318 1685 1 4 . 1 1 94 94 GLU CB C 91 29.400 29.400 30.018 -0.618 18318 1686 1 4 . 1 1 94 94 GLU H H 91 7.880 7.880 7.796 0.084 18318 1687 1 4 . 1 1 95 95 GLN N N 92 115.500 115.500 117.724 -2.224 18318 1688 1 4 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.354 -0.064 18318 1689 1 4 . 1 1 95 95 GLN C C 92 176.600 176.600 175.470 1.130 18318 1690 1 4 . 1 1 95 95 GLN CA C 92 56.300 56.300 56.917 -0.617 18318 1691 1 4 . 1 1 95 95 GLN CB C 92 28.900 28.900 30.702 -1.802 18318 1692 1 4 . 1 1 95 95 GLN H H 92 7.450 7.450 7.706 -0.256 18318 1693 1 5 . 1 1 15 15 CYS N N 12 117.500 117.500 121.581 -4.081 18318 1694 1 5 . 1 1 15 15 CYS C C 12 175.500 175.500 173.943 1.557 18318 1695 1 5 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.555 -4.855 18318 1696 1 5 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.552 6.148 18318 1697 1 5 . 1 1 15 15 CYS H H 12 8.280 8.280 8.840 -0.560 18318 1698 1 5 . 1 1 16 16 GLY N N 13 108.700 108.700 109.176 -0.476 18318 1699 1 5 . 1 1 16 16 GLY C C 13 176.600 176.600 175.886 0.714 18318 1700 1 5 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.365 1.535 18318 1701 1 5 . 1 1 16 16 GLY H H 13 8.080 8.080 8.943 -0.863 18318 1702 1 5 . 1 1 17 17 ARG N N 14 123.300 123.300 121.554 1.746 18318 1703 1 5 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.076 -0.116 18318 1704 1 5 . 1 1 17 17 ARG C C 14 179.300 179.300 177.279 2.021 18318 1705 1 5 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.494 0.706 18318 1706 1 5 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.983 0.117 18318 1707 1 5 . 1 1 17 17 ARG H H 14 8.630 8.630 8.806 -0.176 18318 1708 1 5 . 1 1 18 18 GLU N N 15 121.900 121.900 119.625 2.275 18318 1709 1 5 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.217 -0.047 18318 1710 1 5 . 1 1 18 18 GLU C C 15 177.900 177.900 178.395 -0.495 18318 1711 1 5 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.414 2.686 18318 1712 1 5 . 1 1 18 18 GLU CB C 15 28.200 28.200 28.634 -0.434 18318 1713 1 5 . 1 1 18 18 GLU H H 15 9.670 9.670 8.223 1.447 18318 1714 1 5 . 1 1 19 19 LEU N N 16 119.400 119.400 120.771 -1.371 18318 1715 1 5 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.681 2.219 18318 1716 1 5 . 1 1 19 19 LEU H H 16 8.090 8.090 8.114 -0.024 18318 1717 1 5 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.096 -0.416 18318 1718 1 5 . 1 1 20 20 GLU C C 17 177.200 177.200 179.024 -1.824 18318 1719 1 5 . 1 1 20 20 GLU CA C 17 59.300 59.300 58.650 0.650 18318 1720 1 5 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.867 -0.867 18318 1721 1 5 . 1 1 21 21 GLN N N 18 118.500 118.500 119.905 -1.405 18318 1722 1 5 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.117 -0.077 18318 1723 1 5 . 1 1 21 21 GLN C C 18 177.200 177.200 177.767 -0.567 18318 1724 1 5 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.837 0.163 18318 1725 1 5 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.188 -0.488 18318 1726 1 5 . 1 1 21 21 GLN H H 18 8.560 8.560 8.205 0.355 18318 1727 1 5 . 1 1 22 22 TYR N N 19 120.700 120.700 118.379 2.321 18318 1728 1 5 . 1 1 22 22 TYR HA H 19 4.280 4.280 3.588 0.692 18318 1729 1 5 . 1 1 22 22 TYR C C 19 176.600 176.600 177.153 -0.553 18318 1730 1 5 . 1 1 22 22 TYR CA C 19 62.100 62.100 58.461 3.639 18318 1731 1 5 . 1 1 22 22 TYR CB C 19 38.900 38.900 36.594 2.306 18318 1732 1 5 . 1 1 22 22 TYR H H 19 8.120 8.120 7.892 0.228 18318 1733 1 5 . 1 1 23 23 GLY N N 20 105.600 105.600 107.961 -2.361 18318 1734 1 5 . 1 1 23 23 GLY C C 20 176.700 176.700 175.849 0.851 18318 1735 1 5 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.568 0.532 18318 1736 1 5 . 1 1 23 23 GLY H H 20 8.390 8.390 7.692 0.698 18318 1737 1 5 . 1 1 24 24 GLN N N 21 120.300 120.300 120.071 0.229 18318 1738 1 5 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.132 -0.082 18318 1739 1 5 . 1 1 24 24 GLN C C 21 178.000 178.000 178.202 -0.202 18318 1740 1 5 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.089 0.511 18318 1741 1 5 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.675 -1.075 18318 1742 1 5 . 1 1 24 24 GLN H H 21 8.130 8.130 7.798 0.332 18318 1743 1 5 . 1 1 25 25 CYS N N 22 121.500 121.500 119.005 2.495 18318 1744 1 5 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.172 0.108 18318 1745 1 5 . 1 1 25 25 CYS C C 22 175.400 175.400 176.694 -1.294 18318 1746 1 5 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.239 -2.639 18318 1747 1 5 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.855 13.044 18318 1748 1 5 . 1 1 25 25 CYS H H 22 7.610 7.610 7.505 0.105 18318 1749 1 5 . 1 1 26 26 VAL N N 23 119.900 119.900 119.678 0.222 18318 1750 1 5 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.080 -0.290 18318 1751 1 5 . 1 1 26 26 VAL C C 23 177.100 177.100 177.364 -0.264 18318 1752 1 5 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.488 0.412 18318 1753 1 5 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.555 -2.255 18318 1754 1 5 . 1 1 26 26 VAL H H 23 8.040 8.040 8.062 -0.022 18318 1755 1 5 . 1 1 27 27 ALA N N 24 117.400 117.400 120.791 -3.391 18318 1756 1 5 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.008 0.092 18318 1757 1 5 . 1 1 27 27 ALA C C 24 178.600 178.600 178.817 -0.217 18318 1758 1 5 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.600 -0.500 18318 1759 1 5 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.434 -0.534 18318 1760 1 5 . 1 1 27 27 ALA H H 24 7.430 7.430 7.540 -0.110 18318 1761 1 5 . 1 1 28 28 ALA N N 25 116.100 116.100 120.852 -4.752 18318 1762 1 5 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.166 0.164 18318 1763 1 5 . 1 1 28 28 ALA C C 25 178.100 178.100 178.138 -0.038 18318 1764 1 5 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.901 -1.301 18318 1765 1 5 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.519 -0.419 18318 1766 1 5 . 1 1 28 28 ALA H H 25 7.120 7.120 7.567 -0.447 18318 1767 1 5 . 1 1 29 29 LYS N N 26 119.200 119.200 113.721 5.479 18318 1768 1 5 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.861 4.839 18318 1769 1 5 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.591 -2.491 18318 1770 1 5 . 1 1 29 29 LYS H H 26 7.560 7.560 7.540 0.020 18318 1771 1 5 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.349 -0.139 18318 1772 1 5 . 1 1 30 30 PRO C C 27 177.000 177.000 178.223 -1.223 18318 1773 1 5 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.570 0.330 18318 1774 1 5 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.075 -0.475 18318 1775 1 5 . 1 1 31 31 GLU N N 28 114.600 114.600 118.258 -3.658 18318 1776 1 5 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.283 0.167 18318 1777 1 5 . 1 1 31 31 GLU C C 28 176.100 176.100 178.502 -2.402 18318 1778 1 5 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.266 -1.066 18318 1779 1 5 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.295 1.305 18318 1780 1 5 . 1 1 31 31 GLU H H 28 8.770 8.770 8.881 -0.111 18318 1781 1 5 . 1 1 32 32 SER N N 29 111.000 111.000 116.257 -5.257 18318 1782 1 5 . 1 1 32 32 SER HA H 29 4.510 4.510 4.259 0.251 18318 1783 1 5 . 1 1 32 32 SER C C 29 176.600 176.600 175.977 0.623 18318 1784 1 5 . 1 1 32 32 SER CA C 29 58.500 58.500 60.678 -2.178 18318 1785 1 5 . 1 1 32 32 SER CB C 29 63.800 63.800 62.727 1.073 18318 1786 1 5 . 1 1 32 32 SER H H 29 7.750 7.750 8.460 -0.710 18318 1787 1 5 . 1 1 33 33 TRP N N 30 125.000 125.000 123.148 1.852 18318 1788 1 5 . 1 1 33 33 TRP C C 30 177.200 177.200 177.836 -0.636 18318 1789 1 5 . 1 1 33 33 TRP CA C 30 60.000 60.000 61.066 -1.066 18318 1790 1 5 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.833 0.667 18318 1791 1 5 . 1 1 33 33 TRP H H 30 7.820 7.820 7.737 0.083 18318 1792 1 5 . 1 1 34 34 GLN N N 31 123.600 123.600 117.528 6.072 18318 1793 1 5 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.369 0.081 18318 1794 1 5 . 1 1 34 34 GLN C C 31 176.800 176.800 178.396 -1.596 18318 1795 1 5 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.971 1.929 18318 1796 1 5 . 1 1 34 34 GLN CB C 31 26.500 26.500 29.079 -2.579 18318 1797 1 5 . 1 1 34 34 GLN H H 31 8.240 8.240 7.685 0.555 18318 1798 1 5 . 1 1 35 35 ARG N N 32 115.900 115.900 119.273 -3.373 18318 1799 1 5 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.100 0.180 18318 1800 1 5 . 1 1 35 35 ARG C C 32 178.900 178.900 178.409 0.491 18318 1801 1 5 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.565 -2.164 18318 1802 1 5 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.226 1.074 18318 1803 1 5 . 1 1 35 35 ARG H H 32 7.450 7.450 7.717 -0.267 18318 1804 1 5 . 1 1 36 36 ASP N N 33 117.700 117.700 119.091 -1.391 18318 1805 1 5 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.652 -0.512 18318 1806 1 5 . 1 1 36 36 ASP C C 33 177.600 177.600 177.121 0.479 18318 1807 1 5 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.607 0.593 18318 1808 1 5 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.930 -1.030 18318 1809 1 5 . 1 1 36 36 ASP H H 33 8.760 8.760 8.231 0.529 18318 1810 1 5 . 1 1 37 37 CYS N N 34 113.300 113.300 119.020 -5.720 18318 1811 1 5 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.830 0.570 18318 1812 1 5 . 1 1 37 37 CYS C C 34 175.800 175.800 174.683 1.117 18318 1813 1 5 . 1 1 37 37 CYS CA C 34 53.100 53.100 58.135 -5.035 18318 1814 1 5 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.495 14.005 18318 1815 1 5 . 1 1 37 37 CYS H H 34 8.260 8.260 7.754 0.506 18318 1816 1 5 . 1 1 38 38 HIS N N 35 124.200 124.200 124.422 -0.222 18318 1817 1 5 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.521 -0.171 18318 1818 1 5 . 1 1 38 38 HIS C C 35 177.400 177.400 176.374 1.026 18318 1819 1 5 . 1 1 38 38 HIS CA C 35 61.000 61.000 60.287 0.713 18318 1820 1 5 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.743 -0.143 18318 1821 1 5 . 1 1 38 38 HIS H H 35 7.520 7.520 8.200 -0.680 18318 1822 1 5 . 1 1 39 39 TYR N N 36 117.100 117.100 117.794 -0.694 18318 1823 1 5 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.366 -0.066 18318 1824 1 5 . 1 1 39 39 TYR C C 36 177.700 177.700 178.178 -0.478 18318 1825 1 5 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.468 -0.868 18318 1826 1 5 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.748 -1.548 18318 1827 1 5 . 1 1 39 39 TYR H H 36 8.930 8.930 8.431 0.499 18318 1828 1 5 . 1 1 40 40 LEU N N 37 122.000 122.000 119.231 2.769 18318 1829 1 5 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.007 0.163 18318 1830 1 5 . 1 1 40 40 LEU C C 37 179.400 179.400 178.992 0.408 18318 1831 1 5 . 1 1 40 40 LEU CA C 37 56.500 56.500 58.564 -2.064 18318 1832 1 5 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.798 0.602 18318 1833 1 5 . 1 1 40 40 LEU H H 37 6.940 6.940 8.258 -1.318 18318 1834 1 5 . 1 1 41 41 LYS N N 38 125.300 125.300 119.800 5.500 18318 1835 1 5 . 1 1 41 41 LYS C C 38 179.600 179.600 178.919 0.681 18318 1836 1 5 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.656 -0.056 18318 1837 1 5 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.295 -1.295 18318 1838 1 5 . 1 1 41 41 LYS H H 38 7.880 7.880 7.830 0.050 18318 1839 1 5 . 1 1 42 42 MET N N 39 117.600 117.600 117.120 0.480 18318 1840 1 5 . 1 1 42 42 MET HA H 39 4.120 4.120 4.271 -0.151 18318 1841 1 5 . 1 1 42 42 MET C C 39 178.900 178.900 178.311 0.589 18318 1842 1 5 . 1 1 42 42 MET CA C 39 57.200 57.200 57.784 -0.584 18318 1843 1 5 . 1 1 42 42 MET CB C 39 30.000 30.000 32.395 -2.396 18318 1844 1 5 . 1 1 42 42 MET H H 39 8.090 8.090 7.748 0.342 18318 1845 1 5 . 1 1 43 43 SER N N 40 115.900 115.900 116.564 -0.664 18318 1846 1 5 . 1 1 43 43 SER HA H 40 4.290 4.290 4.296 -0.006 18318 1847 1 5 . 1 1 43 43 SER C C 40 177.400 177.400 176.521 0.879 18318 1848 1 5 . 1 1 43 43 SER CA C 40 61.700 61.700 62.699 -0.999 18318 1849 1 5 . 1 1 43 43 SER CB C 40 62.500 62.500 63.349 -0.849 18318 1850 1 5 . 1 1 43 43 SER H H 40 7.600 7.600 7.711 -0.111 18318 1851 1 5 . 1 1 44 44 ILE N N 41 121.900 121.900 117.787 4.113 18318 1852 1 5 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.863 -0.323 18318 1853 1 5 . 1 1 44 44 ILE C C 41 177.500 177.500 177.254 0.246 18318 1854 1 5 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.428 1.672 18318 1855 1 5 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.602 0.298 18318 1856 1 5 . 1 1 44 44 ILE H H 41 7.540 7.540 8.325 -0.785 18318 1857 1 5 . 1 1 45 45 ALA N N 42 122.600 122.600 122.211 0.389 18318 1858 1 5 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.979 0.201 18318 1859 1 5 . 1 1 45 45 ALA C C 42 180.200 180.200 179.612 0.588 18318 1860 1 5 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.940 -0.140 18318 1861 1 5 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.100 -0.800 18318 1862 1 5 . 1 1 45 45 ALA H H 42 7.420 7.420 7.678 -0.258 18318 1863 1 5 . 1 1 46 46 GLN N N 43 118.400 118.400 118.206 0.194 18318 1864 1 5 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.120 -0.150 18318 1865 1 5 . 1 1 46 46 GLN C C 43 178.500 178.500 177.907 0.593 18318 1866 1 5 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.647 0.053 18318 1867 1 5 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.980 -1.180 18318 1868 1 5 . 1 1 46 46 GLN H H 43 8.290 8.290 7.795 0.495 18318 1869 1 5 . 1 1 47 47 CYS N N 44 119.500 119.500 118.904 0.596 18318 1870 1 5 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.225 -0.135 18318 1871 1 5 . 1 1 47 47 CYS C C 44 176.500 176.500 177.754 -1.254 18318 1872 1 5 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.796 -1.496 18318 1873 1 5 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.012 13.889 18318 1874 1 5 . 1 1 47 47 CYS H H 44 7.590 7.590 7.678 -0.088 18318 1875 1 5 . 1 1 48 48 THR N N 45 113.000 113.000 116.844 -3.844 18318 1876 1 5 . 1 1 48 48 THR C C 45 175.900 175.900 176.554 -0.654 18318 1877 1 5 . 1 1 48 48 THR CA C 45 65.400 65.400 66.061 -0.661 18318 1878 1 5 . 1 1 48 48 THR CB C 45 68.800 68.800 68.624 0.176 18318 1879 1 5 . 1 1 48 48 THR H H 45 8.810 8.810 7.780 1.030 18318 1880 1 5 . 1 1 49 49 SER N N 46 113.200 113.200 117.549 -4.349 18318 1881 1 5 . 1 1 49 49 SER HA H 46 4.380 4.380 4.272 0.108 18318 1882 1 5 . 1 1 49 49 SER C C 46 175.600 175.600 176.006 -0.406 18318 1883 1 5 . 1 1 49 49 SER CA C 46 60.000 60.000 60.756 -0.756 18318 1884 1 5 . 1 1 49 49 SER CB C 46 63.900 63.900 63.102 0.798 18318 1885 1 5 . 1 1 49 49 SER H H 46 7.890 7.890 7.691 0.199 18318 1886 1 5 . 1 1 50 50 SER N N 47 114.100 114.100 115.550 -1.450 18318 1887 1 5 . 1 1 50 50 SER HA H 47 4.390 4.390 4.298 0.092 18318 1888 1 5 . 1 1 50 50 SER CA C 47 59.100 59.100 60.689 -1.589 18318 1889 1 5 . 1 1 50 50 SER CB C 47 64.800 64.800 63.764 1.036 18318 1890 1 5 . 1 1 50 50 SER H H 47 7.770 7.770 7.570 0.200 18318 1891 1 5 . 1 1 55 55 ARG HA H 52 4.590 4.590 3.945 0.645 18318 1892 1 5 . 1 1 55 55 ARG C C 52 178.500 178.500 177.891 0.609 18318 1893 1 5 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.959 1.041 18318 1894 1 5 . 1 1 56 56 GLN N N 53 117.700 117.700 118.514 -0.814 18318 1895 1 5 . 1 1 56 56 GLN C C 53 175.000 175.000 177.952 -2.952 18318 1896 1 5 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.012 1.188 18318 1897 1 5 . 1 1 56 56 GLN H H 53 8.110 8.110 8.560 -0.450 18318 1898 1 5 . 1 1 57 57 ILE N N 54 121.200 121.200 113.294 7.906 18318 1899 1 5 . 1 1 57 57 ILE HA H 54 3.320 3.320 4.028 -0.708 18318 1900 1 5 . 1 1 57 57 ILE C C 54 178.700 178.700 178.236 0.464 18318 1901 1 5 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.164 2.836 18318 1902 1 5 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.738 -0.038 18318 1903 1 5 . 1 1 57 57 ILE H H 54 7.820 7.820 7.484 0.336 18318 1904 1 5 . 1 1 58 58 ARG N N 55 118.900 118.900 121.501 -2.601 18318 1905 1 5 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.027 0.283 18318 1906 1 5 . 1 1 58 58 ARG C C 55 178.600 178.600 178.518 0.082 18318 1907 1 5 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.890 1.010 18318 1908 1 5 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.024 1.476 18318 1909 1 5 . 1 1 58 58 ARG H H 55 8.250 8.250 7.693 0.557 18318 1910 1 5 . 1 1 59 59 GLN N N 56 115.800 115.800 117.763 -1.963 18318 1911 1 5 . 1 1 59 59 GLN C C 56 178.100 178.100 176.675 1.425 18318 1912 1 5 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.077 -0.077 18318 1913 1 5 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.544 0.256 18318 1914 1 5 . 1 1 59 59 GLN H H 56 7.920 7.920 7.911 0.009 18318 1915 1 5 . 1 1 60 60 ALA N N 57 121.600 121.600 120.008 1.592 18318 1916 1 5 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.179 0.001 18318 1917 1 5 . 1 1 60 60 ALA C C 57 179.600 179.600 178.588 1.012 18318 1918 1 5 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.693 0.807 18318 1919 1 5 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.038 -0.138 18318 1920 1 5 . 1 1 60 60 ALA H H 57 8.490 8.490 7.386 1.104 18318 1921 1 5 . 1 1 61 61 CYS N N 58 114.000 114.000 117.101 -3.101 18318 1922 1 5 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.550 0.580 18318 1923 1 5 . 1 1 61 61 CYS C C 58 175.000 175.000 174.440 0.560 18318 1924 1 5 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.042 -6.342 18318 1925 1 5 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.577 15.223 18318 1926 1 5 . 1 1 61 61 CYS H H 58 8.370 8.370 7.577 0.793 18318 1927 1 5 . 1 1 62 62 ALA N N 59 124.900 124.900 126.601 -1.701 18318 1928 1 5 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.319 -0.049 18318 1929 1 5 . 1 1 62 62 ALA C C 59 179.200 179.200 178.334 0.866 18318 1930 1 5 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.876 3.624 18318 1931 1 5 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.913 -1.113 18318 1932 1 5 . 1 1 62 62 ALA H H 59 7.200 7.200 8.062 -0.862 18318 1933 1 5 . 1 1 63 63 GLN N N 60 115.800 115.800 119.458 -3.658 18318 1934 1 5 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.131 0.349 18318 1935 1 5 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.383 0.817 18318 1936 1 5 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.384 -1.684 18318 1937 1 5 . 1 1 63 63 GLN H H 60 9.040 9.040 8.819 0.221 18318 1938 1 5 . 1 1 64 64 PRO C C 61 179.700 179.700 177.717 1.983 18318 1939 1 5 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.041 0.559 18318 1940 1 5 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.006 -0.206 18318 1941 1 5 . 1 1 65 65 PHE N N 62 120.500 120.500 118.807 1.693 18318 1942 1 5 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.274 0.006 18318 1943 1 5 . 1 1 65 65 PHE C C 62 176.400 176.400 176.830 -0.430 18318 1944 1 5 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.841 1.559 18318 1945 1 5 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.243 -0.643 18318 1946 1 5 . 1 1 65 65 PHE H H 62 8.500 8.500 8.157 0.343 18318 1947 1 5 . 1 1 66 66 GLU N N 63 120.200 120.200 120.687 -0.487 18318 1948 1 5 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.966 0.064 18318 1949 1 5 . 1 1 66 66 GLU C C 63 179.300 179.300 178.281 1.019 18318 1950 1 5 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.142 0.058 18318 1951 1 5 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.809 -1.309 18318 1952 1 5 . 1 1 66 66 GLU H H 63 8.900 8.900 8.394 0.506 18318 1953 1 5 . 1 1 67 67 ALA N N 64 120.600 120.600 122.305 -1.705 18318 1954 1 5 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.917 -0.047 18318 1955 1 5 . 1 1 67 67 ALA C C 64 180.500 180.500 179.915 0.585 18318 1956 1 5 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.023 -0.323 18318 1957 1 5 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.902 0.198 18318 1958 1 5 . 1 1 67 67 ALA H H 64 8.150 8.150 7.293 0.857 18318 1959 1 5 . 1 1 68 68 PHE N N 65 120.000 120.000 116.163 3.837 18318 1960 1 5 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.144 0.176 18318 1961 1 5 . 1 1 68 68 PHE C C 65 175.400 175.400 177.609 -2.209 18318 1962 1 5 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.521 0.279 18318 1963 1 5 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.831 0.169 18318 1964 1 5 . 1 1 68 68 PHE H H 65 7.810 7.810 6.959 0.851 18318 1965 1 5 . 1 1 69 69 GLU N N 66 119.400 119.400 120.688 -1.288 18318 1966 1 5 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.976 0.194 18318 1967 1 5 . 1 1 69 69 GLU C C 66 178.800 178.800 179.114 -0.314 18318 1968 1 5 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.225 0.975 18318 1969 1 5 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.154 -0.054 18318 1970 1 5 . 1 1 69 69 GLU H H 66 8.330 8.330 7.704 0.626 18318 1971 1 5 . 1 1 70 70 GLU N N 67 118.600 118.600 118.718 -0.118 18318 1972 1 5 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.133 -0.163 18318 1973 1 5 . 1 1 70 70 GLU C C 67 177.700 177.700 178.620 -0.920 18318 1974 1 5 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.822 -0.022 18318 1975 1 5 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.705 -1.005 18318 1976 1 5 . 1 1 70 70 GLU H H 67 8.240 8.240 8.287 -0.047 18318 1977 1 5 . 1 1 71 71 CYS N N 68 119.100 119.100 119.042 0.058 18318 1978 1 5 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.155 -0.075 18318 1979 1 5 . 1 1 71 71 CYS C C 68 177.900 177.900 177.314 0.586 18318 1980 1 5 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.773 -3.173 18318 1981 1 5 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.514 12.486 18318 1982 1 5 . 1 1 71 71 CYS H H 68 7.580 7.580 7.829 -0.249 18318 1983 1 5 . 1 1 72 72 LEU N N 69 122.000 122.000 119.166 2.834 18318 1984 1 5 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.233 -0.533 18318 1985 1 5 . 1 1 72 72 LEU C C 69 179.300 179.300 178.805 0.495 18318 1986 1 5 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.402 0.198 18318 1987 1 5 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.627 -0.627 18318 1988 1 5 . 1 1 72 72 LEU H H 69 8.090 8.090 7.752 0.338 18318 1989 1 5 . 1 1 73 73 ARG N N 70 117.400 117.400 118.866 -1.466 18318 1990 1 5 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.963 0.047 18318 1991 1 5 . 1 1 73 73 ARG C C 70 178.500 178.500 177.875 0.625 18318 1992 1 5 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.916 -0.216 18318 1993 1 5 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.242 -0.142 18318 1994 1 5 . 1 1 73 73 ARG H H 70 7.600 7.600 7.778 -0.178 18318 1995 1 5 . 1 1 74 74 GLN N N 71 115.800 115.800 114.404 1.396 18318 1996 1 5 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.451 -0.161 18318 1997 1 5 . 1 1 74 74 GLN C C 71 176.200 176.200 176.390 -0.190 18318 1998 1 5 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.367 0.033 18318 1999 1 5 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.849 -1.649 18318 2000 1 5 . 1 1 74 74 GLN H H 71 7.580 7.580 7.658 -0.078 18318 2001 1 5 . 1 1 75 75 ASN N N 72 118.600 118.600 118.721 -0.121 18318 2002 1 5 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.005 -0.015 18318 2003 1 5 . 1 1 75 75 ASN C C 72 174.800 174.800 174.813 -0.013 18318 2004 1 5 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.676 0.324 18318 2005 1 5 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.112 0.688 18318 2006 1 5 . 1 1 75 75 ASN H H 72 7.750 7.750 8.129 -0.379 18318 2007 1 5 . 1 1 76 76 GLU N N 73 120.200 120.200 122.995 -2.795 18318 2008 1 5 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.879 0.081 18318 2009 1 5 . 1 1 76 76 GLU C C 73 176.800 176.800 176.554 0.246 18318 2010 1 5 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.559 -0.359 18318 2011 1 5 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.817 -0.716 18318 2012 1 5 . 1 1 76 76 GLU H H 73 7.950 7.950 8.013 -0.063 18318 2013 1 5 . 1 1 77 77 ALA N N 74 119.200 119.200 119.447 -0.247 18318 2014 1 5 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.427 -0.067 18318 2015 1 5 . 1 1 77 77 ALA C C 74 175.400 175.400 176.851 -1.451 18318 2016 1 5 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.804 0.296 18318 2017 1 5 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.002 0.198 18318 2018 1 5 . 1 1 77 77 ALA H H 74 8.320 8.320 7.988 0.332 18318 2019 1 5 . 1 1 78 78 ALA N N 75 124.400 124.400 122.367 2.033 18318 2020 1 5 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.646 -0.266 18318 2021 1 5 . 1 1 78 78 ALA C C 75 177.200 177.200 178.066 -0.866 18318 2022 1 5 . 1 1 78 78 ALA CA C 75 51.400 51.400 52.107 -0.707 18318 2023 1 5 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.685 -1.685 18318 2024 1 5 . 1 1 78 78 ALA H H 75 7.900 7.900 7.624 0.276 18318 2025 1 5 . 1 1 79 79 VAL N N 76 118.400 118.400 119.117 -0.717 18318 2026 1 5 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.319 -0.529 18318 2027 1 5 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.886 1.214 18318 2028 1 5 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.167 0.133 18318 2029 1 5 . 1 1 79 79 VAL H H 76 8.100 8.100 8.262 -0.162 18318 2030 1 5 . 1 1 80 80 GLY C C 77 175.900 175.900 175.509 0.391 18318 2031 1 5 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.200 0.200 18318 2032 1 5 . 1 1 81 81 ASN N N 78 119.300 119.300 117.952 1.348 18318 2033 1 5 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.832 -0.232 18318 2034 1 5 . 1 1 81 81 ASN C C 78 176.700 176.700 174.721 1.979 18318 2035 1 5 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.349 0.151 18318 2036 1 5 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.514 -3.214 18318 2037 1 5 . 1 1 81 81 ASN H H 78 8.200 8.200 7.757 0.443 18318 2038 1 5 . 1 1 82 82 CYS N N 79 117.200 117.200 115.740 1.460 18318 2039 1 5 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.803 0.597 18318 2040 1 5 . 1 1 82 82 CYS C C 79 175.800 175.800 172.891 2.909 18318 2041 1 5 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.061 -2.561 18318 2042 1 5 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.571 8.729 18318 2043 1 5 . 1 1 82 82 CYS H H 79 8.330 8.330 7.592 0.738 18318 2044 1 5 . 1 1 83 83 ALA N N 80 125.000 125.000 124.487 0.513 18318 2045 1 5 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.701 -0.551 18318 2046 1 5 . 1 1 83 83 ALA C C 80 179.900 179.900 177.599 2.301 18318 2047 1 5 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.483 5.716 18318 2048 1 5 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.051 -0.851 18318 2049 1 5 . 1 1 83 83 ALA H H 80 7.700 7.700 8.528 -0.828 18318 2050 1 5 . 1 1 84 84 GLU N N 81 118.900 118.900 126.244 -7.344 18318 2051 1 5 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.674 0.276 18318 2052 1 5 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.496 -0.496 18318 2053 1 5 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.315 -0.415 18318 2054 1 5 . 1 1 84 84 GLU H H 81 8.920 8.920 8.909 0.011 18318 2055 1 5 . 1 1 85 85 HIS C C 82 178.500 178.500 176.675 1.825 18318 2056 1 5 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.340 -2.240 18318 2057 1 5 . 1 1 86 86 MET N N 83 118.800 118.800 117.605 1.195 18318 2058 1 5 . 1 1 86 86 MET C C 83 177.200 177.200 178.433 -1.233 18318 2059 1 5 . 1 1 86 86 MET CA C 83 58.900 58.900 57.652 1.248 18318 2060 1 5 . 1 1 86 86 MET CB C 83 31.300 31.300 32.524 -1.224 18318 2061 1 5 . 1 1 86 86 MET H H 83 7.460 7.460 7.669 -0.209 18318 2062 1 5 . 1 1 87 87 ARG N N 84 119.500 119.500 119.685 -0.185 18318 2063 1 5 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.887 0.023 18318 2064 1 5 . 1 1 87 87 ARG C C 84 178.600 178.600 178.294 0.306 18318 2065 1 5 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.365 1.535 18318 2066 1 5 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.656 0.844 18318 2067 1 5 . 1 1 87 87 ARG H H 84 8.220 8.220 8.298 -0.078 18318 2068 1 5 . 1 1 88 88 ARG N N 85 117.900 117.900 120.417 -2.517 18318 2069 1 5 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.225 -0.305 18318 2070 1 5 . 1 1 88 88 ARG C C 85 179.700 179.700 178.421 1.279 18318 2071 1 5 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.198 -0.698 18318 2072 1 5 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.270 -0.270 18318 2073 1 5 . 1 1 88 88 ARG H H 85 8.100 8.100 8.131 -0.031 18318 2074 1 5 . 1 1 89 89 PHE N N 86 119.700 119.700 118.316 1.384 18318 2075 1 5 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.302 0.048 18318 2076 1 5 . 1 1 89 89 PHE C C 86 175.600 175.600 177.759 -2.159 18318 2077 1 5 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.072 0.028 18318 2078 1 5 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.872 -1.072 18318 2079 1 5 . 1 1 89 89 PHE H H 86 7.930 7.930 7.663 0.267 18318 2080 1 5 . 1 1 90 90 LEU N N 87 120.400 120.400 120.217 0.183 18318 2081 1 5 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.979 -0.269 18318 2082 1 5 . 1 1 90 90 LEU C C 87 179.200 179.200 178.551 0.649 18318 2083 1 5 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.167 -0.467 18318 2084 1 5 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.831 -1.531 18318 2085 1 5 . 1 1 90 90 LEU H H 87 8.640 8.640 7.452 1.188 18318 2086 1 5 . 1 1 91 91 GLN N N 88 118.200 118.200 119.146 -0.946 18318 2087 1 5 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.134 -0.094 18318 2088 1 5 . 1 1 91 91 GLN C C 88 178.000 178.000 178.908 -0.908 18318 2089 1 5 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.975 -0.275 18318 2090 1 5 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.217 -0.217 18318 2091 1 5 . 1 1 91 91 GLN H H 88 8.380 8.380 8.391 -0.011 18318 2092 1 5 . 1 1 92 92 CYS N N 89 119.000 119.000 117.472 1.528 18318 2093 1 5 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.313 -0.263 18318 2094 1 5 . 1 1 92 92 CYS C C 89 176.600 176.600 177.265 -0.665 18318 2095 1 5 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.463 -2.363 18318 2096 1 5 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.620 13.880 18318 2097 1 5 . 1 1 92 92 CYS H H 89 7.390 7.390 8.560 -1.170 18318 2098 1 5 . 1 1 93 93 ALA N N 90 122.900 122.900 121.500 1.400 18318 2099 1 5 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.092 -0.182 18318 2100 1 5 . 1 1 93 93 ALA C C 90 179.200 179.200 178.538 0.662 18318 2101 1 5 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.718 -0.018 18318 2102 1 5 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.314 -0.514 18318 2103 1 5 . 1 1 93 93 ALA H H 90 8.410 8.410 7.726 0.684 18318 2104 1 5 . 1 1 94 94 GLU N N 91 115.800 115.800 118.331 -2.531 18318 2105 1 5 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.109 0.041 18318 2106 1 5 . 1 1 94 94 GLU C C 91 177.400 177.400 178.456 -1.056 18318 2107 1 5 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.019 -0.119 18318 2108 1 5 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.759 -0.359 18318 2109 1 5 . 1 1 94 94 GLU H H 91 7.880 7.880 7.682 0.198 18318 2110 1 5 . 1 1 95 95 GLN N N 92 115.500 115.500 118.935 -3.435 18318 2111 1 5 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.206 0.084 18318 2112 1 5 . 1 1 95 95 GLN C C 92 176.600 176.600 177.135 -0.535 18318 2113 1 5 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.312 -1.012 18318 2114 1 5 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.377 -0.477 18318 2115 1 5 . 1 1 95 95 GLN H H 92 7.450 7.450 8.162 -0.712 18318 2116 1 6 . 1 1 15 15 CYS N N 12 117.500 117.500 121.965 -4.465 18318 2117 1 6 . 1 1 15 15 CYS C C 12 175.500 175.500 176.451 -0.951 18318 2118 1 6 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.526 -4.826 18318 2119 1 6 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.463 6.237 18318 2120 1 6 . 1 1 15 15 CYS H H 12 8.280 8.280 9.012 -0.732 18318 2121 1 6 . 1 1 16 16 GLY N N 13 108.700 108.700 110.650 -1.950 18318 2122 1 6 . 1 1 16 16 GLY C C 13 176.600 176.600 175.403 1.197 18318 2123 1 6 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.548 0.352 18318 2124 1 6 . 1 1 16 16 GLY H H 13 8.080 8.080 9.061 -0.981 18318 2125 1 6 . 1 1 17 17 ARG N N 14 123.300 123.300 119.775 3.525 18318 2126 1 6 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.307 -0.347 18318 2127 1 6 . 1 1 17 17 ARG C C 14 179.300 179.300 177.857 1.443 18318 2128 1 6 . 1 1 17 17 ARG CA C 14 59.200 59.200 57.990 1.210 18318 2129 1 6 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.893 0.207 18318 2130 1 6 . 1 1 17 17 ARG H H 14 8.630 8.630 8.561 0.069 18318 2131 1 6 . 1 1 18 18 GLU N N 15 121.900 121.900 121.387 0.513 18318 2132 1 6 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.187 -0.017 18318 2133 1 6 . 1 1 18 18 GLU C C 15 177.900 177.900 177.610 0.290 18318 2134 1 6 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.157 1.943 18318 2135 1 6 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.419 -1.220 18318 2136 1 6 . 1 1 18 18 GLU H H 15 9.670 9.670 7.927 1.743 18318 2137 1 6 . 1 1 19 19 LEU N N 16 119.400 119.400 120.559 -1.159 18318 2138 1 6 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.034 2.866 18318 2139 1 6 . 1 1 19 19 LEU H H 16 8.090 8.090 7.910 0.180 18318 2140 1 6 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.995 -0.315 18318 2141 1 6 . 1 1 20 20 GLU C C 17 177.200 177.200 179.195 -1.995 18318 2142 1 6 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.920 -0.620 18318 2143 1 6 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.639 -0.639 18318 2144 1 6 . 1 1 21 21 GLN N N 18 118.500 118.500 118.735 -0.235 18318 2145 1 6 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.152 -0.112 18318 2146 1 6 . 1 1 21 21 GLN C C 18 177.200 177.200 178.394 -1.194 18318 2147 1 6 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.209 0.791 18318 2148 1 6 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.967 -0.267 18318 2149 1 6 . 1 1 21 21 GLN H H 18 8.560 8.560 7.782 0.778 18318 2150 1 6 . 1 1 22 22 TYR N N 19 120.700 120.700 120.975 -0.275 18318 2151 1 6 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.386 -0.106 18318 2152 1 6 . 1 1 22 22 TYR C C 19 176.600 176.600 177.927 -1.327 18318 2153 1 6 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.645 1.455 18318 2154 1 6 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.323 0.577 18318 2155 1 6 . 1 1 22 22 TYR H H 19 8.120 8.120 8.616 -0.496 18318 2156 1 6 . 1 1 23 23 GLY N N 20 105.600 105.600 106.370 -0.770 18318 2157 1 6 . 1 1 23 23 GLY C C 20 176.700 176.700 175.864 0.836 18318 2158 1 6 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.274 0.826 18318 2159 1 6 . 1 1 23 23 GLY H H 20 8.390 8.390 7.644 0.746 18318 2160 1 6 . 1 1 24 24 GLN N N 21 120.300 120.300 121.608 -1.308 18318 2161 1 6 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.093 -0.043 18318 2162 1 6 . 1 1 24 24 GLN C C 21 178.000 178.000 178.056 -0.056 18318 2163 1 6 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.314 -0.714 18318 2164 1 6 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.947 -1.347 18318 2165 1 6 . 1 1 24 24 GLN H H 21 8.130 8.130 7.647 0.483 18318 2166 1 6 . 1 1 25 25 CYS N N 22 121.500 121.500 117.549 3.951 18318 2167 1 6 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.502 -0.222 18318 2168 1 6 . 1 1 25 25 CYS C C 22 175.400 175.400 177.537 -2.137 18318 2169 1 6 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.937 -2.337 18318 2170 1 6 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.419 13.481 18318 2171 1 6 . 1 1 25 25 CYS H H 22 7.610 7.610 8.174 -0.564 18318 2172 1 6 . 1 1 26 26 VAL N N 23 119.900 119.900 118.682 1.218 18318 2173 1 6 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.169 -0.379 18318 2174 1 6 . 1 1 26 26 VAL C C 23 177.100 177.100 177.287 -0.187 18318 2175 1 6 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.710 1.190 18318 2176 1 6 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.473 -2.173 18318 2177 1 6 . 1 1 26 26 VAL H H 23 8.040 8.040 7.239 0.801 18318 2178 1 6 . 1 1 27 27 ALA N N 24 117.400 117.400 122.098 -4.698 18318 2179 1 6 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.113 -0.013 18318 2180 1 6 . 1 1 27 27 ALA C C 24 178.600 178.600 178.895 -0.295 18318 2181 1 6 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.544 -0.444 18318 2182 1 6 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.576 -0.676 18318 2183 1 6 . 1 1 27 27 ALA H H 24 7.430 7.430 7.510 -0.080 18318 2184 1 6 . 1 1 28 28 ALA N N 25 116.100 116.100 120.744 -4.644 18318 2185 1 6 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.147 0.183 18318 2186 1 6 . 1 1 28 28 ALA C C 25 178.100 178.100 178.096 0.004 18318 2187 1 6 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.843 -1.243 18318 2188 1 6 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.518 -0.418 18318 2189 1 6 . 1 1 28 28 ALA H H 25 7.120 7.120 7.993 -0.873 18318 2190 1 6 . 1 1 29 29 LYS N N 26 119.200 119.200 113.587 5.613 18318 2191 1 6 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.297 5.403 18318 2192 1 6 . 1 1 29 29 LYS CB C 26 32.100 32.100 33.938 -1.837 18318 2193 1 6 . 1 1 29 29 LYS H H 26 7.560 7.560 7.406 0.154 18318 2194 1 6 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.314 -0.104 18318 2195 1 6 . 1 1 30 30 PRO C C 27 177.000 177.000 178.344 -1.344 18318 2196 1 6 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.430 0.470 18318 2197 1 6 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.064 -0.464 18318 2198 1 6 . 1 1 31 31 GLU N N 28 114.600 114.600 118.029 -3.429 18318 2199 1 6 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.252 0.198 18318 2200 1 6 . 1 1 31 31 GLU C C 28 176.100 176.100 178.259 -2.159 18318 2201 1 6 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.476 -1.276 18318 2202 1 6 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.492 1.108 18318 2203 1 6 . 1 1 31 31 GLU H H 28 8.770 8.770 8.738 0.032 18318 2204 1 6 . 1 1 32 32 SER N N 29 111.000 111.000 115.650 -4.650 18318 2205 1 6 . 1 1 32 32 SER HA H 29 4.510 4.510 4.274 0.236 18318 2206 1 6 . 1 1 32 32 SER C C 29 176.600 176.600 175.807 0.793 18318 2207 1 6 . 1 1 32 32 SER CA C 29 58.500 58.500 60.347 -1.847 18318 2208 1 6 . 1 1 32 32 SER CB C 29 63.800 63.800 62.438 1.362 18318 2209 1 6 . 1 1 32 32 SER H H 29 7.750 7.750 8.317 -0.567 18318 2210 1 6 . 1 1 33 33 TRP N N 30 125.000 125.000 124.326 0.674 18318 2211 1 6 . 1 1 33 33 TRP C C 30 177.200 177.200 177.723 -0.523 18318 2212 1 6 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.858 -0.857 18318 2213 1 6 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.598 0.902 18318 2214 1 6 . 1 1 33 33 TRP H H 30 7.820 7.820 7.549 0.271 18318 2215 1 6 . 1 1 34 34 GLN N N 31 123.600 123.600 116.278 7.322 18318 2216 1 6 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.614 0.836 18318 2217 1 6 . 1 1 34 34 GLN C C 31 176.800 176.800 176.891 -0.091 18318 2218 1 6 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.307 2.593 18318 2219 1 6 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.399 -1.899 18318 2220 1 6 . 1 1 34 34 GLN H H 31 8.240 8.240 7.475 0.765 18318 2221 1 6 . 1 1 35 35 ARG N N 32 115.900 115.900 117.923 -2.023 18318 2222 1 6 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.963 0.317 18318 2223 1 6 . 1 1 35 35 ARG C C 32 178.900 178.900 178.402 0.498 18318 2224 1 6 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.933 -1.533 18318 2225 1 6 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.363 0.937 18318 2226 1 6 . 1 1 35 35 ARG H H 32 7.450 7.450 7.375 0.075 18318 2227 1 6 . 1 1 36 36 ASP N N 33 117.700 117.700 118.896 -1.196 18318 2228 1 6 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.508 -0.368 18318 2229 1 6 . 1 1 36 36 ASP C C 33 177.600 177.600 177.019 0.581 18318 2230 1 6 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.264 0.936 18318 2231 1 6 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.174 -0.274 18318 2232 1 6 . 1 1 36 36 ASP H H 33 8.760 8.760 8.355 0.405 18318 2233 1 6 . 1 1 37 37 CYS N N 34 113.300 113.300 115.989 -2.689 18318 2234 1 6 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.518 0.882 18318 2235 1 6 . 1 1 37 37 CYS C C 34 175.800 175.800 174.225 1.575 18318 2236 1 6 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.527 -3.427 18318 2237 1 6 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.727 13.774 18318 2238 1 6 . 1 1 37 37 CYS H H 34 8.260 8.260 7.650 0.610 18318 2239 1 6 . 1 1 38 38 HIS N N 35 124.200 124.200 125.271 -1.071 18318 2240 1 6 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.185 0.165 18318 2241 1 6 . 1 1 38 38 HIS C C 35 177.400 177.400 175.891 1.509 18318 2242 1 6 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.910 2.091 18318 2243 1 6 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.939 -0.339 18318 2244 1 6 . 1 1 38 38 HIS H H 35 7.520 7.520 8.017 -0.497 18318 2245 1 6 . 1 1 39 39 TYR N N 36 117.100 117.100 115.986 1.114 18318 2246 1 6 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.300 -0.000 18318 2247 1 6 . 1 1 39 39 TYR C C 36 177.700 177.700 176.959 0.741 18318 2248 1 6 . 1 1 39 39 TYR CA C 36 60.600 60.600 59.571 1.029 18318 2249 1 6 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.127 -0.927 18318 2250 1 6 . 1 1 39 39 TYR H H 36 8.930 8.930 7.866 1.064 18318 2251 1 6 . 1 1 40 40 LEU N N 37 122.000 122.000 119.236 2.764 18318 2252 1 6 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.201 -0.031 18318 2253 1 6 . 1 1 40 40 LEU C C 37 179.400 179.400 178.964 0.436 18318 2254 1 6 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.112 -0.612 18318 2255 1 6 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.355 1.045 18318 2256 1 6 . 1 1 40 40 LEU H H 37 6.940 6.940 7.781 -0.841 18318 2257 1 6 . 1 1 41 41 LYS N N 38 125.300 125.300 120.467 4.833 18318 2258 1 6 . 1 1 41 41 LYS C C 38 179.600 179.600 178.349 1.251 18318 2259 1 6 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.065 0.535 18318 2260 1 6 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.766 -0.766 18318 2261 1 6 . 1 1 41 41 LYS H H 38 7.880 7.880 7.786 0.094 18318 2262 1 6 . 1 1 42 42 MET N N 39 117.600 117.600 117.882 -0.282 18318 2263 1 6 . 1 1 42 42 MET HA H 39 4.120 4.120 4.357 -0.237 18318 2264 1 6 . 1 1 42 42 MET C C 39 178.900 178.900 178.406 0.494 18318 2265 1 6 . 1 1 42 42 MET CA C 39 57.200 57.200 58.065 -0.865 18318 2266 1 6 . 1 1 42 42 MET CB C 39 30.000 30.000 32.836 -2.836 18318 2267 1 6 . 1 1 42 42 MET H H 39 8.090 8.090 7.706 0.384 18318 2268 1 6 . 1 1 43 43 SER N N 40 115.900 115.900 116.885 -0.985 18318 2269 1 6 . 1 1 43 43 SER HA H 40 4.290 4.290 4.375 -0.085 18318 2270 1 6 . 1 1 43 43 SER C C 40 177.400 177.400 176.702 0.698 18318 2271 1 6 . 1 1 43 43 SER CA C 40 61.700 61.700 61.749 -0.049 18318 2272 1 6 . 1 1 43 43 SER CB C 40 62.500 62.500 63.549 -1.049 18318 2273 1 6 . 1 1 43 43 SER H H 40 7.600 7.600 7.649 -0.049 18318 2274 1 6 . 1 1 44 44 ILE N N 41 121.900 121.900 119.632 2.268 18318 2275 1 6 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.865 -0.325 18318 2276 1 6 . 1 1 44 44 ILE C C 41 177.500 177.500 177.169 0.331 18318 2277 1 6 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.086 2.014 18318 2278 1 6 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.086 0.814 18318 2279 1 6 . 1 1 44 44 ILE H H 41 7.540 7.540 8.297 -0.757 18318 2280 1 6 . 1 1 45 45 ALA N N 42 122.600 122.600 121.934 0.666 18318 2281 1 6 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.935 0.245 18318 2282 1 6 . 1 1 45 45 ALA C C 42 180.200 180.200 179.720 0.480 18318 2283 1 6 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.231 -0.431 18318 2284 1 6 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.186 -0.886 18318 2285 1 6 . 1 1 45 45 ALA H H 42 7.420 7.420 7.720 -0.300 18318 2286 1 6 . 1 1 46 46 GLN N N 43 118.400 118.400 117.385 1.015 18318 2287 1 6 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.058 -0.088 18318 2288 1 6 . 1 1 46 46 GLN C C 43 178.500 178.500 177.172 1.328 18318 2289 1 6 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.178 0.522 18318 2290 1 6 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.885 -1.085 18318 2291 1 6 . 1 1 46 46 GLN H H 43 8.290 8.290 7.809 0.481 18318 2292 1 6 . 1 1 47 47 CYS N N 44 119.500 119.500 117.280 2.220 18318 2293 1 6 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.208 -0.118 18318 2294 1 6 . 1 1 47 47 CYS C C 44 176.500 176.500 177.685 -1.185 18318 2295 1 6 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.215 -0.916 18318 2296 1 6 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.565 13.335 18318 2297 1 6 . 1 1 47 47 CYS H H 44 7.590 7.590 7.718 -0.128 18318 2298 1 6 . 1 1 48 48 THR N N 45 113.000 113.000 114.279 -1.279 18318 2299 1 6 . 1 1 48 48 THR C C 45 175.900 175.900 175.783 0.117 18318 2300 1 6 . 1 1 48 48 THR CA C 45 65.400 65.400 64.937 0.463 18318 2301 1 6 . 1 1 48 48 THR CB C 45 68.800 68.800 68.426 0.374 18318 2302 1 6 . 1 1 48 48 THR H H 45 8.810 8.810 7.720 1.090 18318 2303 1 6 . 1 1 49 49 SER N N 46 113.200 113.200 116.770 -3.570 18318 2304 1 6 . 1 1 49 49 SER HA H 46 4.380 4.380 4.415 -0.035 18318 2305 1 6 . 1 1 49 49 SER C C 46 175.600 175.600 174.319 1.281 18318 2306 1 6 . 1 1 49 49 SER CA C 46 60.000 60.000 58.646 1.354 18318 2307 1 6 . 1 1 49 49 SER CB C 46 63.900 63.900 62.835 1.065 18318 2308 1 6 . 1 1 49 49 SER H H 46 7.890 7.890 7.568 0.322 18318 2309 1 6 . 1 1 50 50 SER N N 47 114.100 114.100 116.236 -2.136 18318 2310 1 6 . 1 1 50 50 SER HA H 47 4.390 4.390 4.348 0.042 18318 2311 1 6 . 1 1 50 50 SER CA C 47 59.100 59.100 59.399 -0.299 18318 2312 1 6 . 1 1 50 50 SER CB C 47 64.800 64.800 64.015 0.785 18318 2313 1 6 . 1 1 50 50 SER H H 47 7.770 7.770 7.482 0.288 18318 2314 1 6 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.012 0.578 18318 2315 1 6 . 1 1 55 55 ARG C C 52 178.500 178.500 178.122 0.378 18318 2316 1 6 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.367 0.633 18318 2317 1 6 . 1 1 56 56 GLN N N 53 117.700 117.700 117.613 0.087 18318 2318 1 6 . 1 1 56 56 GLN C C 53 175.000 175.000 178.159 -3.159 18318 2319 1 6 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.457 0.743 18318 2320 1 6 . 1 1 56 56 GLN H H 53 8.110 8.110 8.588 -0.478 18318 2321 1 6 . 1 1 57 57 ILE N N 54 121.200 121.200 118.429 2.771 18318 2322 1 6 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.939 -0.619 18318 2323 1 6 . 1 1 57 57 ILE C C 54 178.700 178.700 178.236 0.464 18318 2324 1 6 . 1 1 57 57 ILE CA C 54 66.000 66.000 62.511 3.489 18318 2325 1 6 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.660 1.040 18318 2326 1 6 . 1 1 57 57 ILE H H 54 7.820 7.820 7.414 0.406 18318 2327 1 6 . 1 1 58 58 ARG N N 55 118.900 118.900 120.640 -1.740 18318 2328 1 6 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.948 0.362 18318 2329 1 6 . 1 1 58 58 ARG C C 55 178.600 178.600 177.514 1.086 18318 2330 1 6 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.807 1.093 18318 2331 1 6 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.093 1.407 18318 2332 1 6 . 1 1 58 58 ARG H H 55 8.250 8.250 7.995 0.255 18318 2333 1 6 . 1 1 59 59 GLN N N 56 115.800 115.800 116.836 -1.036 18318 2334 1 6 . 1 1 59 59 GLN C C 56 178.100 178.100 176.973 1.127 18318 2335 1 6 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.900 0.100 18318 2336 1 6 . 1 1 59 59 GLN CB C 56 28.800 28.800 29.143 -0.343 18318 2337 1 6 . 1 1 59 59 GLN H H 56 7.920 7.920 8.074 -0.154 18318 2338 1 6 . 1 1 60 60 ALA N N 57 121.600 121.600 120.932 0.668 18318 2339 1 6 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.219 -0.039 18318 2340 1 6 . 1 1 60 60 ALA C C 57 179.600 179.600 178.423 1.177 18318 2341 1 6 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.776 0.724 18318 2342 1 6 . 1 1 60 60 ALA CB C 57 18.900 18.900 18.950 -0.050 18318 2343 1 6 . 1 1 60 60 ALA H H 57 8.490 8.490 7.375 1.115 18318 2344 1 6 . 1 1 61 61 CYS N N 58 114.000 114.000 116.638 -2.638 18318 2345 1 6 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.476 0.654 18318 2346 1 6 . 1 1 61 61 CYS C C 58 175.000 175.000 174.934 0.066 18318 2347 1 6 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.645 -6.945 18318 2348 1 6 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.369 15.431 18318 2349 1 6 . 1 1 61 61 CYS H H 58 8.370 8.370 8.224 0.146 18318 2350 1 6 . 1 1 62 62 ALA N N 59 124.900 124.900 128.199 -3.299 18318 2351 1 6 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.337 -0.067 18318 2352 1 6 . 1 1 62 62 ALA C C 59 179.200 179.200 178.373 0.827 18318 2353 1 6 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.904 3.596 18318 2354 1 6 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.914 -1.114 18318 2355 1 6 . 1 1 62 62 ALA H H 59 7.200 7.200 8.284 -1.084 18318 2356 1 6 . 1 1 63 63 GLN N N 60 115.800 115.800 119.793 -3.993 18318 2357 1 6 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.055 0.425 18318 2358 1 6 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.252 -0.052 18318 2359 1 6 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.929 -2.229 18318 2360 1 6 . 1 1 63 63 GLN H H 60 9.040 9.040 8.850 0.190 18318 2361 1 6 . 1 1 64 64 PRO C C 61 179.700 179.700 177.586 2.114 18318 2362 1 6 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.174 0.426 18318 2363 1 6 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.180 -0.380 18318 2364 1 6 . 1 1 65 65 PHE N N 62 120.500 120.500 118.684 1.816 18318 2365 1 6 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.300 -0.020 18318 2366 1 6 . 1 1 65 65 PHE C C 62 176.400 176.400 176.925 -0.525 18318 2367 1 6 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.928 1.472 18318 2368 1 6 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.284 -0.684 18318 2369 1 6 . 1 1 65 65 PHE H H 62 8.500 8.500 8.060 0.440 18318 2370 1 6 . 1 1 66 66 GLU N N 63 120.200 120.200 119.939 0.261 18318 2371 1 6 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.866 0.164 18318 2372 1 6 . 1 1 66 66 GLU C C 63 179.300 179.300 178.285 1.015 18318 2373 1 6 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.149 0.051 18318 2374 1 6 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.736 -1.236 18318 2375 1 6 . 1 1 66 66 GLU H H 63 8.900 8.900 8.436 0.464 18318 2376 1 6 . 1 1 67 67 ALA N N 64 120.600 120.600 122.199 -1.599 18318 2377 1 6 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.903 -0.033 18318 2378 1 6 . 1 1 67 67 ALA C C 64 180.500 180.500 179.642 0.858 18318 2379 1 6 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.916 -0.216 18318 2380 1 6 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.104 -0.004 18318 2381 1 6 . 1 1 67 67 ALA H H 64 8.150 8.150 7.196 0.954 18318 2382 1 6 . 1 1 68 68 PHE N N 65 120.000 120.000 116.887 3.113 18318 2383 1 6 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.098 0.222 18318 2384 1 6 . 1 1 68 68 PHE C C 65 175.400 175.400 177.918 -2.518 18318 2385 1 6 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.817 -0.017 18318 2386 1 6 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.582 0.418 18318 2387 1 6 . 1 1 68 68 PHE H H 65 7.810 7.810 6.944 0.866 18318 2388 1 6 . 1 1 69 69 GLU N N 66 119.400 119.400 118.594 0.806 18318 2389 1 6 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.902 0.268 18318 2390 1 6 . 1 1 69 69 GLU C C 66 178.800 178.800 178.763 0.037 18318 2391 1 6 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.036 1.164 18318 2392 1 6 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.191 -0.091 18318 2393 1 6 . 1 1 69 69 GLU H H 66 8.330 8.330 7.705 0.625 18318 2394 1 6 . 1 1 70 70 GLU N N 67 118.600 118.600 119.189 -0.589 18318 2395 1 6 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.167 -0.197 18318 2396 1 6 . 1 1 70 70 GLU C C 67 177.700 177.700 178.450 -0.750 18318 2397 1 6 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.681 0.118 18318 2398 1 6 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.762 -1.062 18318 2399 1 6 . 1 1 70 70 GLU H H 67 8.240 8.240 7.841 0.399 18318 2400 1 6 . 1 1 71 71 CYS N N 68 119.100 119.100 119.117 -0.017 18318 2401 1 6 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.230 -0.150 18318 2402 1 6 . 1 1 71 71 CYS C C 68 177.900 177.900 177.390 0.510 18318 2403 1 6 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.383 -2.783 18318 2404 1 6 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.548 12.452 18318 2405 1 6 . 1 1 71 71 CYS H H 68 7.580 7.580 7.753 -0.173 18318 2406 1 6 . 1 1 72 72 LEU N N 69 122.000 122.000 118.841 3.159 18318 2407 1 6 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.232 -0.532 18318 2408 1 6 . 1 1 72 72 LEU C C 69 179.300 179.300 178.704 0.596 18318 2409 1 6 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.029 0.571 18318 2410 1 6 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.502 -0.502 18318 2411 1 6 . 1 1 72 72 LEU H H 69 8.090 8.090 7.783 0.307 18318 2412 1 6 . 1 1 73 73 ARG N N 70 117.400 117.400 118.602 -1.202 18318 2413 1 6 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.980 0.030 18318 2414 1 6 . 1 1 73 73 ARG C C 70 178.500 178.500 177.758 0.742 18318 2415 1 6 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.970 -0.270 18318 2416 1 6 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.979 0.121 18318 2417 1 6 . 1 1 73 73 ARG H H 70 7.600 7.600 7.554 0.046 18318 2418 1 6 . 1 1 74 74 GLN N N 71 115.800 115.800 116.137 -0.337 18318 2419 1 6 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.396 -0.106 18318 2420 1 6 . 1 1 74 74 GLN C C 71 176.200 176.200 176.405 -0.205 18318 2421 1 6 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.806 -0.406 18318 2422 1 6 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.644 -1.444 18318 2423 1 6 . 1 1 74 74 GLN H H 71 7.580 7.580 7.825 -0.245 18318 2424 1 6 . 1 1 75 75 ASN N N 72 118.600 118.600 120.495 -1.895 18318 2425 1 6 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.953 0.037 18318 2426 1 6 . 1 1 75 75 ASN C C 72 174.800 174.800 175.112 -0.312 18318 2427 1 6 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.772 0.228 18318 2428 1 6 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.182 1.617 18318 2429 1 6 . 1 1 75 75 ASN H H 72 7.750 7.750 8.369 -0.619 18318 2430 1 6 . 1 1 76 76 GLU N N 73 120.200 120.200 120.660 -0.460 18318 2431 1 6 . 1 1 76 76 GLU HA H 73 3.960 3.960 4.059 -0.099 18318 2432 1 6 . 1 1 76 76 GLU C C 73 176.800 176.800 177.066 -0.266 18318 2433 1 6 . 1 1 76 76 GLU CA C 73 59.200 59.200 58.707 0.493 18318 2434 1 6 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.287 -0.187 18318 2435 1 6 . 1 1 76 76 GLU H H 73 7.950 7.950 8.263 -0.313 18318 2436 1 6 . 1 1 77 77 ALA N N 74 119.200 119.200 121.472 -2.272 18318 2437 1 6 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.382 -0.022 18318 2438 1 6 . 1 1 77 77 ALA C C 74 175.400 175.400 178.009 -2.609 18318 2439 1 6 . 1 1 77 77 ALA CA C 74 52.100 52.100 53.225 -1.125 18318 2440 1 6 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.620 -0.420 18318 2441 1 6 . 1 1 77 77 ALA H H 74 8.320 8.320 8.291 0.029 18318 2442 1 6 . 1 1 78 78 ALA N N 75 124.400 124.400 121.361 3.039 18318 2443 1 6 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.488 -0.108 18318 2444 1 6 . 1 1 78 78 ALA C C 75 177.200 177.200 177.548 -0.348 18318 2445 1 6 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.444 -0.044 18318 2446 1 6 . 1 1 78 78 ALA CB C 75 18.000 18.000 17.334 0.666 18318 2447 1 6 . 1 1 78 78 ALA H H 75 7.900 7.900 7.899 0.001 18318 2448 1 6 . 1 1 79 79 VAL N N 76 118.400 118.400 118.401 -0.001 18318 2449 1 6 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.203 -0.413 18318 2450 1 6 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.551 1.549 18318 2451 1 6 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.308 -0.008 18318 2452 1 6 . 1 1 79 79 VAL H H 76 8.100 8.100 7.338 0.762 18318 2453 1 6 . 1 1 80 80 GLY C C 77 175.900 175.900 175.154 0.746 18318 2454 1 6 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.823 -0.423 18318 2455 1 6 . 1 1 81 81 ASN N N 78 119.300 119.300 118.329 0.971 18318 2456 1 6 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.816 -0.216 18318 2457 1 6 . 1 1 81 81 ASN C C 78 176.700 176.700 174.842 1.858 18318 2458 1 6 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.265 1.235 18318 2459 1 6 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.045 -2.745 18318 2460 1 6 . 1 1 81 81 ASN H H 78 8.200 8.200 7.882 0.318 18318 2461 1 6 . 1 1 82 82 CYS N N 79 117.200 117.200 119.935 -2.735 18318 2462 1 6 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.722 0.678 18318 2463 1 6 . 1 1 82 82 CYS C C 79 175.800 175.800 172.795 3.005 18318 2464 1 6 . 1 1 82 82 CYS CA C 79 53.500 53.500 57.367 -3.867 18318 2465 1 6 . 1 1 82 82 CYS CB C 79 39.300 39.300 28.732 10.568 18318 2466 1 6 . 1 1 82 82 CYS H H 79 8.330 8.330 7.694 0.636 18318 2467 1 6 . 1 1 83 83 ALA N N 80 125.000 125.000 128.015 -3.015 18318 2468 1 6 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.661 -0.511 18318 2469 1 6 . 1 1 83 83 ALA C C 80 179.900 179.900 176.921 2.979 18318 2470 1 6 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.172 5.028 18318 2471 1 6 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.481 -2.281 18318 2472 1 6 . 1 1 83 83 ALA H H 80 7.700 7.700 8.514 -0.814 18318 2473 1 6 . 1 1 84 84 GLU N N 81 118.900 118.900 125.331 -6.431 18318 2474 1 6 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.024 -0.074 18318 2475 1 6 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.509 0.491 18318 2476 1 6 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.558 -0.658 18318 2477 1 6 . 1 1 84 84 GLU H H 81 8.920 8.920 8.883 0.037 18318 2478 1 6 . 1 1 85 85 HIS C C 82 178.500 178.500 176.477 2.023 18318 2479 1 6 . 1 1 85 85 HIS CA C 82 56.100 56.100 57.683 -1.583 18318 2480 1 6 . 1 1 86 86 MET N N 83 118.800 118.800 118.808 -0.008 18318 2481 1 6 . 1 1 86 86 MET C C 83 177.200 177.200 177.923 -0.723 18318 2482 1 6 . 1 1 86 86 MET CA C 83 58.900 58.900 57.596 1.304 18318 2483 1 6 . 1 1 86 86 MET CB C 83 31.300 31.300 32.656 -1.356 18318 2484 1 6 . 1 1 86 86 MET H H 83 7.460 7.460 8.173 -0.713 18318 2485 1 6 . 1 1 87 87 ARG N N 84 119.500 119.500 117.987 1.513 18318 2486 1 6 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.953 -0.043 18318 2487 1 6 . 1 1 87 87 ARG C C 84 178.600 178.600 178.119 0.481 18318 2488 1 6 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.994 0.906 18318 2489 1 6 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.387 0.113 18318 2490 1 6 . 1 1 87 87 ARG H H 84 8.220 8.220 7.674 0.546 18318 2491 1 6 . 1 1 88 88 ARG N N 85 117.900 117.900 118.993 -1.093 18318 2492 1 6 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.805 0.115 18318 2493 1 6 . 1 1 88 88 ARG C C 85 179.700 179.700 178.568 1.132 18318 2494 1 6 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.237 -0.737 18318 2495 1 6 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.903 0.097 18318 2496 1 6 . 1 1 88 88 ARG H H 85 8.100 8.100 7.464 0.636 18318 2497 1 6 . 1 1 89 89 PHE N N 86 119.700 119.700 117.814 1.886 18318 2498 1 6 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.429 -0.079 18318 2499 1 6 . 1 1 89 89 PHE C C 86 175.600 175.600 177.582 -1.982 18318 2500 1 6 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.309 0.791 18318 2501 1 6 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.980 -1.179 18318 2502 1 6 . 1 1 89 89 PHE H H 86 7.930 7.930 7.860 0.070 18318 2503 1 6 . 1 1 90 90 LEU N N 87 120.400 120.400 120.479 -0.079 18318 2504 1 6 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.928 -0.218 18318 2505 1 6 . 1 1 90 90 LEU C C 87 179.200 179.200 178.758 0.442 18318 2506 1 6 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.056 -0.356 18318 2507 1 6 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.846 -1.546 18318 2508 1 6 . 1 1 90 90 LEU H H 87 8.640 8.640 7.573 1.067 18318 2509 1 6 . 1 1 91 91 GLN N N 88 118.200 118.200 118.800 -0.600 18318 2510 1 6 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.176 -0.136 18318 2511 1 6 . 1 1 91 91 GLN C C 88 178.000 178.000 178.650 -0.650 18318 2512 1 6 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.937 -0.237 18318 2513 1 6 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.560 -0.560 18318 2514 1 6 . 1 1 91 91 GLN H H 88 8.380 8.380 8.645 -0.265 18318 2515 1 6 . 1 1 92 92 CYS N N 89 119.000 119.000 117.661 1.339 18318 2516 1 6 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.305 -0.255 18318 2517 1 6 . 1 1 92 92 CYS C C 89 176.600 176.600 177.253 -0.653 18318 2518 1 6 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.085 -1.985 18318 2519 1 6 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.709 13.791 18318 2520 1 6 . 1 1 92 92 CYS H H 89 7.390 7.390 7.934 -0.544 18318 2521 1 6 . 1 1 93 93 ALA N N 90 122.900 122.900 122.735 0.165 18318 2522 1 6 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.919 -0.009 18318 2523 1 6 . 1 1 93 93 ALA C C 90 179.200 179.200 179.794 -0.594 18318 2524 1 6 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.571 0.129 18318 2525 1 6 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.108 -0.308 18318 2526 1 6 . 1 1 93 93 ALA H H 90 8.410 8.410 7.494 0.916 18318 2527 1 6 . 1 1 94 94 GLU N N 91 115.800 115.800 119.525 -3.725 18318 2528 1 6 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.042 0.108 18318 2529 1 6 . 1 1 94 94 GLU C C 91 177.400 177.400 178.860 -1.460 18318 2530 1 6 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.730 -0.830 18318 2531 1 6 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.537 -0.137 18318 2532 1 6 . 1 1 94 94 GLU H H 91 7.880 7.880 7.902 -0.022 18318 2533 1 6 . 1 1 95 95 GLN N N 92 115.500 115.500 117.459 -1.959 18318 2534 1 6 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.109 0.181 18318 2535 1 6 . 1 1 95 95 GLN C C 92 176.600 176.600 177.068 -0.468 18318 2536 1 6 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.863 -1.563 18318 2537 1 6 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.157 -0.257 18318 2538 1 6 . 1 1 95 95 GLN H H 92 7.450 7.450 8.108 -0.658 18318 2539 1 7 . 1 1 15 15 CYS N N 12 117.500 117.500 119.921 -2.421 18318 2540 1 7 . 1 1 15 15 CYS C C 12 175.500 175.500 176.007 -0.507 18318 2541 1 7 . 1 1 15 15 CYS CA C 12 53.700 53.700 57.871 -4.171 18318 2542 1 7 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.367 7.333 18318 2543 1 7 . 1 1 15 15 CYS H H 12 8.280 8.280 8.458 -0.178 18318 2544 1 7 . 1 1 16 16 GLY N N 13 108.700 108.700 108.916 -0.216 18318 2545 1 7 . 1 1 16 16 GLY C C 13 176.600 176.600 175.471 1.129 18318 2546 1 7 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.791 1.109 18318 2547 1 7 . 1 1 16 16 GLY H H 13 8.080 8.080 9.018 -0.938 18318 2548 1 7 . 1 1 17 17 ARG N N 14 123.300 123.300 121.023 2.277 18318 2549 1 7 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.039 -0.079 18318 2550 1 7 . 1 1 17 17 ARG C C 14 179.300 179.300 177.569 1.731 18318 2551 1 7 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.070 1.130 18318 2552 1 7 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.797 0.303 18318 2553 1 7 . 1 1 17 17 ARG H H 14 8.630 8.630 8.515 0.115 18318 2554 1 7 . 1 1 18 18 GLU N N 15 121.900 121.900 121.095 0.805 18318 2555 1 7 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.141 0.029 18318 2556 1 7 . 1 1 18 18 GLU C C 15 177.900 177.900 177.903 -0.003 18318 2557 1 7 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.434 1.666 18318 2558 1 7 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.011 -0.811 18318 2559 1 7 . 1 1 18 18 GLU H H 15 9.670 9.670 8.428 1.242 18318 2560 1 7 . 1 1 19 19 LEU N N 16 119.400 119.400 120.317 -0.917 18318 2561 1 7 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.392 2.508 18318 2562 1 7 . 1 1 19 19 LEU H H 16 8.090 8.090 7.811 0.279 18318 2563 1 7 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.011 -0.331 18318 2564 1 7 . 1 1 20 20 GLU C C 17 177.200 177.200 179.109 -1.909 18318 2565 1 7 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.447 -0.147 18318 2566 1 7 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.750 -0.750 18318 2567 1 7 . 1 1 21 21 GLN N N 18 118.500 118.500 119.505 -1.005 18318 2568 1 7 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.154 -0.114 18318 2569 1 7 . 1 1 21 21 GLN C C 18 177.200 177.200 178.082 -0.882 18318 2570 1 7 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.295 0.705 18318 2571 1 7 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.827 -0.127 18318 2572 1 7 . 1 1 21 21 GLN H H 18 8.560 8.560 8.166 0.394 18318 2573 1 7 . 1 1 22 22 TYR N N 19 120.700 120.700 120.555 0.145 18318 2574 1 7 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.363 -0.083 18318 2575 1 7 . 1 1 22 22 TYR C C 19 176.600 176.600 178.157 -1.557 18318 2576 1 7 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.703 1.397 18318 2577 1 7 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.153 0.747 18318 2578 1 7 . 1 1 22 22 TYR H H 19 8.120 8.120 8.803 -0.683 18318 2579 1 7 . 1 1 23 23 GLY N N 20 105.600 105.600 106.333 -0.733 18318 2580 1 7 . 1 1 23 23 GLY C C 20 176.700 176.700 176.040 0.660 18318 2581 1 7 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.517 0.583 18318 2582 1 7 . 1 1 23 23 GLY H H 20 8.390 8.390 7.784 0.606 18318 2583 1 7 . 1 1 24 24 GLN N N 21 120.300 120.300 121.472 -1.172 18318 2584 1 7 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.168 -0.118 18318 2585 1 7 . 1 1 24 24 GLN C C 21 178.000 178.000 178.222 -0.222 18318 2586 1 7 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.931 -0.332 18318 2587 1 7 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.803 -1.204 18318 2588 1 7 . 1 1 24 24 GLN H H 21 8.130 8.130 7.624 0.506 18318 2589 1 7 . 1 1 25 25 CYS N N 22 121.500 121.500 117.824 3.676 18318 2590 1 7 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.236 0.044 18318 2591 1 7 . 1 1 25 25 CYS C C 22 175.400 175.400 177.742 -2.342 18318 2592 1 7 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.167 -2.567 18318 2593 1 7 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.488 13.412 18318 2594 1 7 . 1 1 25 25 CYS H H 22 7.610 7.610 8.352 -0.742 18318 2595 1 7 . 1 1 26 26 VAL N N 23 119.900 119.900 118.832 1.068 18318 2596 1 7 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.058 -0.268 18318 2597 1 7 . 1 1 26 26 VAL C C 23 177.100 177.100 177.104 -0.004 18318 2598 1 7 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.986 0.915 18318 2599 1 7 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.587 -2.287 18318 2600 1 7 . 1 1 26 26 VAL H H 23 8.040 8.040 7.308 0.732 18318 2601 1 7 . 1 1 27 27 ALA N N 24 117.400 117.400 121.895 -4.495 18318 2602 1 7 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.106 -0.006 18318 2603 1 7 . 1 1 27 27 ALA C C 24 178.600 178.600 178.750 -0.150 18318 2604 1 7 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.513 -0.413 18318 2605 1 7 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.649 -0.749 18318 2606 1 7 . 1 1 27 27 ALA H H 24 7.430 7.430 7.581 -0.151 18318 2607 1 7 . 1 1 28 28 ALA N N 25 116.100 116.100 120.714 -4.614 18318 2608 1 7 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.178 0.152 18318 2609 1 7 . 1 1 28 28 ALA C C 25 178.100 178.100 177.925 0.175 18318 2610 1 7 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.695 -1.095 18318 2611 1 7 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.670 -0.570 18318 2612 1 7 . 1 1 28 28 ALA H H 25 7.120 7.120 7.868 -0.748 18318 2613 1 7 . 1 1 29 29 LYS N N 26 119.200 119.200 114.094 5.106 18318 2614 1 7 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.432 5.268 18318 2615 1 7 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.693 -2.593 18318 2616 1 7 . 1 1 29 29 LYS H H 26 7.560 7.560 7.381 0.179 18318 2617 1 7 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.316 -0.106 18318 2618 1 7 . 1 1 30 30 PRO C C 27 177.000 177.000 178.468 -1.468 18318 2619 1 7 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.483 0.417 18318 2620 1 7 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.047 -0.448 18318 2621 1 7 . 1 1 31 31 GLU N N 28 114.600 114.600 118.692 -4.092 18318 2622 1 7 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.361 0.089 18318 2623 1 7 . 1 1 31 31 GLU C C 28 176.100 176.100 178.439 -2.339 18318 2624 1 7 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.306 -1.106 18318 2625 1 7 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.914 0.686 18318 2626 1 7 . 1 1 31 31 GLU H H 28 8.770 8.770 8.815 -0.044 18318 2627 1 7 . 1 1 32 32 SER N N 29 111.000 111.000 115.561 -4.561 18318 2628 1 7 . 1 1 32 32 SER HA H 29 4.510 4.510 4.289 0.221 18318 2629 1 7 . 1 1 32 32 SER C C 29 176.600 176.600 176.098 0.502 18318 2630 1 7 . 1 1 32 32 SER CA C 29 58.500 58.500 60.294 -1.794 18318 2631 1 7 . 1 1 32 32 SER CB C 29 63.800 63.800 62.683 1.117 18318 2632 1 7 . 1 1 32 32 SER H H 29 7.750 7.750 8.275 -0.525 18318 2633 1 7 . 1 1 33 33 TRP N N 30 125.000 125.000 124.623 0.377 18318 2634 1 7 . 1 1 33 33 TRP C C 30 177.200 177.200 177.640 -0.440 18318 2635 1 7 . 1 1 33 33 TRP CA C 30 60.000 60.000 61.193 -1.193 18318 2636 1 7 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.721 0.779 18318 2637 1 7 . 1 1 33 33 TRP H H 30 7.820 7.820 7.625 0.195 18318 2638 1 7 . 1 1 34 34 GLN N N 31 123.600 123.600 115.318 8.282 18318 2639 1 7 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.943 0.507 18318 2640 1 7 . 1 1 34 34 GLN C C 31 176.800 176.800 177.428 -0.628 18318 2641 1 7 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.062 2.838 18318 2642 1 7 . 1 1 34 34 GLN CB C 31 26.500 26.500 27.921 -1.421 18318 2643 1 7 . 1 1 34 34 GLN H H 31 8.240 8.240 7.528 0.712 18318 2644 1 7 . 1 1 35 35 ARG N N 32 115.900 115.900 119.367 -3.467 18318 2645 1 7 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.088 0.192 18318 2646 1 7 . 1 1 35 35 ARG C C 32 178.900 178.900 178.351 0.549 18318 2647 1 7 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.957 -1.557 18318 2648 1 7 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.562 0.738 18318 2649 1 7 . 1 1 35 35 ARG H H 32 7.450 7.450 7.448 0.002 18318 2650 1 7 . 1 1 36 36 ASP N N 33 117.700 117.700 119.049 -1.349 18318 2651 1 7 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.516 -0.376 18318 2652 1 7 . 1 1 36 36 ASP C C 33 177.600 177.600 176.876 0.724 18318 2653 1 7 . 1 1 36 36 ASP CA C 33 57.200 57.200 57.148 0.052 18318 2654 1 7 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.333 -0.433 18318 2655 1 7 . 1 1 36 36 ASP H H 33 8.760 8.760 8.363 0.397 18318 2656 1 7 . 1 1 37 37 CYS N N 34 113.300 113.300 116.816 -3.516 18318 2657 1 7 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.712 0.688 18318 2658 1 7 . 1 1 37 37 CYS C C 34 175.800 175.800 175.192 0.608 18318 2659 1 7 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.413 -3.313 18318 2660 1 7 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.648 13.852 18318 2661 1 7 . 1 1 37 37 CYS H H 34 8.260 8.260 7.687 0.573 18318 2662 1 7 . 1 1 38 38 HIS N N 35 124.200 124.200 124.196 0.004 18318 2663 1 7 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.365 -0.015 18318 2664 1 7 . 1 1 38 38 HIS C C 35 177.400 177.400 176.136 1.264 18318 2665 1 7 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.543 2.457 18318 2666 1 7 . 1 1 38 38 HIS CB C 35 30.600 30.600 29.413 1.188 18318 2667 1 7 . 1 1 38 38 HIS H H 35 7.520 7.520 8.083 -0.563 18318 2668 1 7 . 1 1 39 39 TYR N N 36 117.100 117.100 120.366 -3.266 18318 2669 1 7 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.290 0.010 18318 2670 1 7 . 1 1 39 39 TYR C C 36 177.700 177.700 176.855 0.845 18318 2671 1 7 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.363 -0.763 18318 2672 1 7 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.294 -2.094 18318 2673 1 7 . 1 1 39 39 TYR H H 36 8.930 8.930 7.551 1.379 18318 2674 1 7 . 1 1 40 40 LEU N N 37 122.000 122.000 118.269 3.731 18318 2675 1 7 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.036 0.134 18318 2676 1 7 . 1 1 40 40 LEU C C 37 179.400 179.400 178.621 0.779 18318 2677 1 7 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.916 -1.416 18318 2678 1 7 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.491 0.909 18318 2679 1 7 . 1 1 40 40 LEU H H 37 6.940 6.940 8.197 -1.257 18318 2680 1 7 . 1 1 41 41 LYS N N 38 125.300 125.300 117.608 7.692 18318 2681 1 7 . 1 1 41 41 LYS C C 38 179.600 179.600 177.641 1.959 18318 2682 1 7 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.839 0.761 18318 2683 1 7 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.967 -0.967 18318 2684 1 7 . 1 1 41 41 LYS H H 38 7.880 7.880 8.016 -0.136 18318 2685 1 7 . 1 1 42 42 MET N N 39 117.600 117.600 118.941 -1.341 18318 2686 1 7 . 1 1 42 42 MET HA H 39 4.120 4.120 4.231 -0.111 18318 2687 1 7 . 1 1 42 42 MET C C 39 178.900 178.900 178.155 0.745 18318 2688 1 7 . 1 1 42 42 MET CA C 39 57.200 57.200 58.385 -1.185 18318 2689 1 7 . 1 1 42 42 MET CB C 39 30.000 30.000 32.498 -2.498 18318 2690 1 7 . 1 1 42 42 MET H H 39 8.090 8.090 7.536 0.554 18318 2691 1 7 . 1 1 43 43 SER N N 40 115.900 115.900 115.723 0.177 18318 2692 1 7 . 1 1 43 43 SER HA H 40 4.290 4.290 4.103 0.187 18318 2693 1 7 . 1 1 43 43 SER C C 40 177.400 177.400 176.582 0.818 18318 2694 1 7 . 1 1 43 43 SER CA C 40 61.700 61.700 62.127 -0.427 18318 2695 1 7 . 1 1 43 43 SER CB C 40 62.500 62.500 63.082 -0.582 18318 2696 1 7 . 1 1 43 43 SER H H 40 7.600 7.600 8.276 -0.676 18318 2697 1 7 . 1 1 44 44 ILE N N 41 121.900 121.900 116.759 5.141 18318 2698 1 7 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.931 -0.391 18318 2699 1 7 . 1 1 44 44 ILE C C 41 177.500 177.500 177.200 0.300 18318 2700 1 7 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.044 2.056 18318 2701 1 7 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.320 0.580 18318 2702 1 7 . 1 1 44 44 ILE H H 41 7.540 7.540 7.343 0.197 18318 2703 1 7 . 1 1 45 45 ALA N N 42 122.600 122.600 123.517 -0.917 18318 2704 1 7 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.946 0.234 18318 2705 1 7 . 1 1 45 45 ALA C C 42 180.200 180.200 179.701 0.499 18318 2706 1 7 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.361 -0.561 18318 2707 1 7 . 1 1 45 45 ALA CB C 42 17.300 17.300 17.967 -0.667 18318 2708 1 7 . 1 1 45 45 ALA H H 42 7.420 7.420 7.702 -0.282 18318 2709 1 7 . 1 1 46 46 GLN N N 43 118.400 118.400 116.158 2.242 18318 2710 1 7 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.097 -0.127 18318 2711 1 7 . 1 1 46 46 GLN C C 43 178.500 178.500 177.978 0.522 18318 2712 1 7 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.331 0.369 18318 2713 1 7 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.410 -0.610 18318 2714 1 7 . 1 1 46 46 GLN H H 43 8.290 8.290 7.832 0.458 18318 2715 1 7 . 1 1 47 47 CYS N N 44 119.500 119.500 121.761 -2.261 18318 2716 1 7 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.458 -0.368 18318 2717 1 7 . 1 1 47 47 CYS C C 44 176.500 176.500 176.733 -0.233 18318 2718 1 7 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.601 -1.301 18318 2719 1 7 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.144 13.756 18318 2720 1 7 . 1 1 47 47 CYS H H 44 7.590 7.590 7.918 -0.329 18318 2721 1 7 . 1 1 48 48 THR N N 45 113.000 113.000 113.345 -0.345 18318 2722 1 7 . 1 1 48 48 THR C C 45 175.900 175.900 176.133 -0.233 18318 2723 1 7 . 1 1 48 48 THR CA C 45 65.400 65.400 64.700 0.700 18318 2724 1 7 . 1 1 48 48 THR CB C 45 68.800 68.800 68.600 0.200 18318 2725 1 7 . 1 1 48 48 THR H H 45 8.810 8.810 8.267 0.543 18318 2726 1 7 . 1 1 49 49 SER N N 46 113.200 113.200 116.652 -3.452 18318 2727 1 7 . 1 1 49 49 SER HA H 46 4.380 4.380 4.289 0.091 18318 2728 1 7 . 1 1 49 49 SER C C 46 175.600 175.600 175.584 0.016 18318 2729 1 7 . 1 1 49 49 SER CA C 46 60.000 60.000 60.596 -0.596 18318 2730 1 7 . 1 1 49 49 SER CB C 46 63.900 63.900 63.730 0.170 18318 2731 1 7 . 1 1 49 49 SER H H 46 7.890 7.890 7.958 -0.068 18318 2732 1 7 . 1 1 50 50 SER N N 47 114.100 114.100 114.024 0.076 18318 2733 1 7 . 1 1 50 50 SER HA H 47 4.390 4.390 4.502 -0.112 18318 2734 1 7 . 1 1 50 50 SER CA C 47 59.100 59.100 59.297 -0.198 18318 2735 1 7 . 1 1 50 50 SER CB C 47 64.800 64.800 65.677 -0.877 18318 2736 1 7 . 1 1 50 50 SER H H 47 7.770 7.770 7.762 0.008 18318 2737 1 7 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.179 0.411 18318 2738 1 7 . 1 1 55 55 ARG C C 52 178.500 178.500 177.657 0.843 18318 2739 1 7 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.459 1.541 18318 2740 1 7 . 1 1 56 56 GLN N N 53 117.700 117.700 119.751 -2.051 18318 2741 1 7 . 1 1 56 56 GLN C C 53 175.000 175.000 178.539 -3.539 18318 2742 1 7 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.740 1.460 18318 2743 1 7 . 1 1 56 56 GLN H H 53 8.110 8.110 8.638 -0.528 18318 2744 1 7 . 1 1 57 57 ILE N N 54 121.200 121.200 114.288 6.912 18318 2745 1 7 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.810 -0.490 18318 2746 1 7 . 1 1 57 57 ILE C C 54 178.700 178.700 177.777 0.923 18318 2747 1 7 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.887 2.113 18318 2748 1 7 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.097 0.603 18318 2749 1 7 . 1 1 57 57 ILE H H 54 7.820 7.820 7.957 -0.137 18318 2750 1 7 . 1 1 58 58 ARG N N 55 118.900 118.900 118.550 0.350 18318 2751 1 7 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.032 0.278 18318 2752 1 7 . 1 1 58 58 ARG C C 55 178.600 178.600 177.590 1.010 18318 2753 1 7 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.406 1.494 18318 2754 1 7 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.965 1.535 18318 2755 1 7 . 1 1 58 58 ARG H H 55 8.250 8.250 7.830 0.420 18318 2756 1 7 . 1 1 59 59 GLN N N 56 115.800 115.800 117.869 -2.069 18318 2757 1 7 . 1 1 59 59 GLN C C 56 178.100 178.100 177.265 0.835 18318 2758 1 7 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.136 -0.136 18318 2759 1 7 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.673 0.127 18318 2760 1 7 . 1 1 59 59 GLN H H 56 7.920 7.920 7.720 0.200 18318 2761 1 7 . 1 1 60 60 ALA N N 57 121.600 121.600 121.269 0.331 18318 2762 1 7 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.043 0.137 18318 2763 1 7 . 1 1 60 60 ALA C C 57 179.600 179.600 176.781 2.819 18318 2764 1 7 . 1 1 60 60 ALA CA C 57 54.500 54.500 54.471 0.029 18318 2765 1 7 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.269 -0.369 18318 2766 1 7 . 1 1 60 60 ALA H H 57 8.490 8.490 7.519 0.971 18318 2767 1 7 . 1 1 61 61 CYS N N 58 114.000 114.000 112.014 1.986 18318 2768 1 7 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.720 0.410 18318 2769 1 7 . 1 1 61 61 CYS C C 58 175.000 175.000 173.679 1.321 18318 2770 1 7 . 1 1 61 61 CYS CA C 58 52.700 52.700 57.717 -5.017 18318 2771 1 7 . 1 1 61 61 CYS CB C 58 39.800 39.800 27.850 11.950 18318 2772 1 7 . 1 1 61 61 CYS H H 58 8.370 8.370 7.380 0.990 18318 2773 1 7 . 1 1 62 62 ALA N N 59 124.900 124.900 126.473 -1.573 18318 2774 1 7 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.406 -0.136 18318 2775 1 7 . 1 1 62 62 ALA C C 59 179.200 179.200 178.511 0.689 18318 2776 1 7 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.803 3.697 18318 2777 1 7 . 1 1 62 62 ALA CB C 59 18.800 18.800 20.213 -1.413 18318 2778 1 7 . 1 1 62 62 ALA H H 59 7.200 7.200 8.307 -1.107 18318 2779 1 7 . 1 1 63 63 GLN N N 60 115.800 115.800 119.866 -4.066 18318 2780 1 7 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.145 0.335 18318 2781 1 7 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.690 0.510 18318 2782 1 7 . 1 1 63 63 GLN CB C 60 24.700 24.700 27.281 -2.581 18318 2783 1 7 . 1 1 63 63 GLN H H 60 9.040 9.040 8.671 0.369 18318 2784 1 7 . 1 1 64 64 PRO C C 61 179.700 179.700 178.113 1.587 18318 2785 1 7 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.850 -0.250 18318 2786 1 7 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.356 -0.556 18318 2787 1 7 . 1 1 65 65 PHE N N 62 120.500 120.500 119.519 0.981 18318 2788 1 7 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.522 -0.242 18318 2789 1 7 . 1 1 65 65 PHE C C 62 176.400 176.400 177.089 -0.689 18318 2790 1 7 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.673 1.727 18318 2791 1 7 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.846 -0.246 18318 2792 1 7 . 1 1 65 65 PHE H H 62 8.500 8.500 8.204 0.296 18318 2793 1 7 . 1 1 66 66 GLU N N 63 120.200 120.200 118.981 1.219 18318 2794 1 7 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.995 0.035 18318 2795 1 7 . 1 1 66 66 GLU C C 63 179.300 179.300 178.363 0.937 18318 2796 1 7 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.777 0.423 18318 2797 1 7 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.385 -0.885 18318 2798 1 7 . 1 1 66 66 GLU H H 63 8.900 8.900 8.411 0.489 18318 2799 1 7 . 1 1 67 67 ALA N N 64 120.600 120.600 123.477 -2.877 18318 2800 1 7 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.037 -0.167 18318 2801 1 7 . 1 1 67 67 ALA C C 64 180.500 180.500 179.070 1.430 18318 2802 1 7 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.103 -0.403 18318 2803 1 7 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.643 -0.543 18318 2804 1 7 . 1 1 67 67 ALA H H 64 8.150 8.150 7.427 0.723 18318 2805 1 7 . 1 1 68 68 PHE N N 65 120.000 120.000 116.744 3.256 18318 2806 1 7 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.176 0.144 18318 2807 1 7 . 1 1 68 68 PHE C C 65 175.400 175.400 177.124 -1.724 18318 2808 1 7 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.206 -0.406 18318 2809 1 7 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.516 -0.516 18318 2810 1 7 . 1 1 68 68 PHE H H 65 7.810 7.810 7.663 0.147 18318 2811 1 7 . 1 1 69 69 GLU N N 66 119.400 119.400 118.875 0.525 18318 2812 1 7 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.185 0.985 18318 2813 1 7 . 1 1 69 69 GLU C C 66 178.800 178.800 178.367 0.433 18318 2814 1 7 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.100 2.100 18318 2815 1 7 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.726 0.374 18318 2816 1 7 . 1 1 69 69 GLU H H 66 8.330 8.330 7.200 1.130 18318 2817 1 7 . 1 1 70 70 GLU N N 67 118.600 118.600 119.130 -0.530 18318 2818 1 7 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.193 -0.223 18318 2819 1 7 . 1 1 70 70 GLU C C 67 177.700 177.700 177.852 -0.152 18318 2820 1 7 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.165 0.635 18318 2821 1 7 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.907 -1.208 18318 2822 1 7 . 1 1 70 70 GLU H H 67 8.240 8.240 7.768 0.472 18318 2823 1 7 . 1 1 71 71 CYS N N 68 119.100 119.100 117.993 1.107 18318 2824 1 7 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.296 -0.216 18318 2825 1 7 . 1 1 71 71 CYS C C 68 177.900 177.900 176.893 1.007 18318 2826 1 7 . 1 1 71 71 CYS CA C 68 60.600 60.600 62.170 -1.570 18318 2827 1 7 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.845 12.155 18318 2828 1 7 . 1 1 71 71 CYS H H 68 7.580 7.580 7.473 0.107 18318 2829 1 7 . 1 1 72 72 LEU N N 69 122.000 122.000 118.494 3.506 18318 2830 1 7 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.232 -0.532 18318 2831 1 7 . 1 1 72 72 LEU C C 69 179.300 179.300 178.694 0.606 18318 2832 1 7 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.740 0.860 18318 2833 1 7 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.241 -0.241 18318 2834 1 7 . 1 1 72 72 LEU H H 69 8.090 8.090 7.495 0.595 18318 2835 1 7 . 1 1 73 73 ARG N N 70 117.400 117.400 116.791 0.609 18318 2836 1 7 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.990 0.020 18318 2837 1 7 . 1 1 73 73 ARG C C 70 178.500 178.500 177.150 1.350 18318 2838 1 7 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.430 0.270 18318 2839 1 7 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.268 0.832 18318 2840 1 7 . 1 1 73 73 ARG H H 70 7.600 7.600 7.465 0.135 18318 2841 1 7 . 1 1 74 74 GLN N N 71 115.800 115.800 115.990 -0.190 18318 2842 1 7 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.455 -0.165 18318 2843 1 7 . 1 1 74 74 GLN C C 71 176.200 176.200 176.407 -0.207 18318 2844 1 7 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.914 -0.514 18318 2845 1 7 . 1 1 74 74 GLN CB C 71 29.200 29.200 31.052 -1.852 18318 2846 1 7 . 1 1 74 74 GLN H H 71 7.580 7.580 7.656 -0.076 18318 2847 1 7 . 1 1 75 75 ASN N N 72 118.600 118.600 118.140 0.460 18318 2848 1 7 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.020 -0.030 18318 2849 1 7 . 1 1 75 75 ASN C C 72 174.800 174.800 175.518 -0.718 18318 2850 1 7 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.391 0.609 18318 2851 1 7 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.730 1.070 18318 2852 1 7 . 1 1 75 75 ASN H H 72 7.750 7.750 8.053 -0.303 18318 2853 1 7 . 1 1 76 76 GLU N N 73 120.200 120.200 122.494 -2.294 18318 2854 1 7 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.862 0.098 18318 2855 1 7 . 1 1 76 76 GLU C C 73 176.800 176.800 177.031 -0.231 18318 2856 1 7 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.447 -0.247 18318 2857 1 7 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.146 -0.046 18318 2858 1 7 . 1 1 76 76 GLU H H 73 7.950 7.950 8.079 -0.129 18318 2859 1 7 . 1 1 77 77 ALA N N 74 119.200 119.200 120.361 -1.161 18318 2860 1 7 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.452 -0.092 18318 2861 1 7 . 1 1 77 77 ALA C C 74 175.400 175.400 177.002 -1.602 18318 2862 1 7 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.716 0.384 18318 2863 1 7 . 1 1 77 77 ALA CB C 74 18.200 18.200 17.877 0.323 18318 2864 1 7 . 1 1 77 77 ALA H H 74 8.320 8.320 8.037 0.283 18318 2865 1 7 . 1 1 78 78 ALA N N 75 124.400 124.400 121.895 2.505 18318 2866 1 7 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.666 -0.286 18318 2867 1 7 . 1 1 78 78 ALA C C 75 177.200 177.200 177.884 -0.684 18318 2868 1 7 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.874 -0.474 18318 2869 1 7 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.620 -1.620 18318 2870 1 7 . 1 1 78 78 ALA H H 75 7.900 7.900 7.670 0.230 18318 2871 1 7 . 1 1 79 79 VAL N N 76 118.400 118.400 120.532 -2.132 18318 2872 1 7 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.916 -0.126 18318 2873 1 7 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.368 0.732 18318 2874 1 7 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.839 0.461 18318 2875 1 7 . 1 1 79 79 VAL H H 76 8.100 8.100 8.545 -0.445 18318 2876 1 7 . 1 1 80 80 GLY C C 77 175.900 175.900 175.482 0.418 18318 2877 1 7 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.317 0.083 18318 2878 1 7 . 1 1 81 81 ASN N N 78 119.300 119.300 118.859 0.441 18318 2879 1 7 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.780 -0.180 18318 2880 1 7 . 1 1 81 81 ASN C C 78 176.700 176.700 175.433 1.267 18318 2881 1 7 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.835 -0.335 18318 2882 1 7 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.602 -2.301 18318 2883 1 7 . 1 1 81 81 ASN H H 78 8.200 8.200 7.774 0.426 18318 2884 1 7 . 1 1 82 82 CYS N N 79 117.200 117.200 116.143 1.057 18318 2885 1 7 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.673 0.727 18318 2886 1 7 . 1 1 82 82 CYS C C 79 175.800 175.800 173.229 2.571 18318 2887 1 7 . 1 1 82 82 CYS CA C 79 53.500 53.500 57.681 -4.181 18318 2888 1 7 . 1 1 82 82 CYS CB C 79 39.300 39.300 28.880 10.420 18318 2889 1 7 . 1 1 82 82 CYS H H 79 8.330 8.330 8.349 -0.019 18318 2890 1 7 . 1 1 83 83 ALA N N 80 125.000 125.000 125.480 -0.480 18318 2891 1 7 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.689 -0.539 18318 2892 1 7 . 1 1 83 83 ALA C C 80 179.900 179.900 176.960 2.940 18318 2893 1 7 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.311 3.889 18318 2894 1 7 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.368 -1.168 18318 2895 1 7 . 1 1 83 83 ALA H H 80 7.700 7.700 8.404 -0.704 18318 2896 1 7 . 1 1 84 84 GLU N N 81 118.900 118.900 120.398 -1.498 18318 2897 1 7 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.077 -0.127 18318 2898 1 7 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.206 0.794 18318 2899 1 7 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.582 -0.682 18318 2900 1 7 . 1 1 84 84 GLU H H 81 8.920 8.920 8.873 0.047 18318 2901 1 7 . 1 1 85 85 HIS C C 82 178.500 178.500 176.888 1.612 18318 2902 1 7 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.519 -2.419 18318 2903 1 7 . 1 1 86 86 MET N N 83 118.800 118.800 117.088 1.712 18318 2904 1 7 . 1 1 86 86 MET C C 83 177.200 177.200 178.420 -1.220 18318 2905 1 7 . 1 1 86 86 MET CA C 83 58.900 58.900 58.616 0.284 18318 2906 1 7 . 1 1 86 86 MET CB C 83 31.300 31.300 31.774 -0.474 18318 2907 1 7 . 1 1 86 86 MET H H 83 7.460 7.460 7.128 0.332 18318 2908 1 7 . 1 1 87 87 ARG N N 84 119.500 119.500 119.819 -0.319 18318 2909 1 7 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.077 -0.167 18318 2910 1 7 . 1 1 87 87 ARG C C 84 178.600 178.600 178.862 -0.262 18318 2911 1 7 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.696 1.204 18318 2912 1 7 . 1 1 87 87 ARG CB C 84 29.500 29.500 30.078 -0.578 18318 2913 1 7 . 1 1 87 87 ARG H H 84 8.220 8.220 7.716 0.504 18318 2914 1 7 . 1 1 88 88 ARG N N 85 117.900 117.900 120.033 -2.133 18318 2915 1 7 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.017 -0.097 18318 2916 1 7 . 1 1 88 88 ARG C C 85 179.700 179.700 178.371 1.329 18318 2917 1 7 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.805 0.695 18318 2918 1 7 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.228 0.772 18318 2919 1 7 . 1 1 88 88 ARG H H 85 8.100 8.100 8.074 0.026 18318 2920 1 7 . 1 1 89 89 PHE N N 86 119.700 119.700 119.326 0.374 18318 2921 1 7 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.216 0.134 18318 2922 1 7 . 1 1 89 89 PHE C C 86 175.600 175.600 178.018 -2.418 18318 2923 1 7 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.874 -0.775 18318 2924 1 7 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.729 -0.929 18318 2925 1 7 . 1 1 89 89 PHE H H 86 7.930 7.930 8.125 -0.195 18318 2926 1 7 . 1 1 90 90 LEU N N 87 120.400 120.400 117.375 3.025 18318 2927 1 7 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.208 -0.498 18318 2928 1 7 . 1 1 90 90 LEU C C 87 179.200 179.200 178.609 0.591 18318 2929 1 7 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.321 0.380 18318 2930 1 7 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.926 -1.626 18318 2931 1 7 . 1 1 90 90 LEU H H 87 8.640 8.640 7.615 1.025 18318 2932 1 7 . 1 1 91 91 GLN N N 88 118.200 118.200 119.819 -1.619 18318 2933 1 7 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.123 -0.083 18318 2934 1 7 . 1 1 91 91 GLN C C 88 178.000 178.000 178.418 -0.418 18318 2935 1 7 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.056 -0.356 18318 2936 1 7 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.362 -0.362 18318 2937 1 7 . 1 1 91 91 GLN H H 88 8.380 8.380 7.416 0.964 18318 2938 1 7 . 1 1 92 92 CYS N N 89 119.000 119.000 117.686 1.314 18318 2939 1 7 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.276 -0.226 18318 2940 1 7 . 1 1 92 92 CYS C C 89 176.600 176.600 176.880 -0.280 18318 2941 1 7 . 1 1 92 92 CYS CA C 89 60.100 60.100 60.993 -0.894 18318 2942 1 7 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.791 13.710 18318 2943 1 7 . 1 1 92 92 CYS H H 89 7.390 7.390 8.600 -1.210 18318 2944 1 7 . 1 1 93 93 ALA N N 90 122.900 122.900 123.269 -0.369 18318 2945 1 7 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.096 -0.186 18318 2946 1 7 . 1 1 93 93 ALA C C 90 179.200 179.200 179.836 -0.636 18318 2947 1 7 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.943 -0.243 18318 2948 1 7 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.412 -0.612 18318 2949 1 7 . 1 1 93 93 ALA H H 90 8.410 8.410 7.736 0.674 18318 2950 1 7 . 1 1 94 94 GLU N N 91 115.800 115.800 118.018 -2.218 18318 2951 1 7 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.035 0.115 18318 2952 1 7 . 1 1 94 94 GLU C C 91 177.400 177.400 178.820 -1.420 18318 2953 1 7 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.438 -0.538 18318 2954 1 7 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.643 -0.243 18318 2955 1 7 . 1 1 94 94 GLU H H 91 7.880 7.880 7.913 -0.033 18318 2956 1 7 . 1 1 95 95 GLN N N 92 115.500 115.500 117.451 -1.951 18318 2957 1 7 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.113 0.177 18318 2958 1 7 . 1 1 95 95 GLN C C 92 176.600 176.600 175.899 0.701 18318 2959 1 7 . 1 1 95 95 GLN CA C 92 56.300 56.300 58.057 -1.757 18318 2960 1 7 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.328 -0.428 18318 2961 1 7 . 1 1 95 95 GLN H H 92 7.450 7.450 7.601 -0.151 18318 2962 1 8 . 1 1 15 15 CYS N N 12 117.500 117.500 124.881 -7.381 18318 2963 1 8 . 1 1 15 15 CYS C C 12 175.500 175.500 174.103 1.397 18318 2964 1 8 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.714 -5.014 18318 2965 1 8 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.058 6.641 18318 2966 1 8 . 1 1 15 15 CYS H H 12 8.280 8.280 8.427 -0.147 18318 2967 1 8 . 1 1 16 16 GLY N N 13 108.700 108.700 112.945 -4.245 18318 2968 1 8 . 1 1 16 16 GLY C C 13 176.600 176.600 175.429 1.171 18318 2969 1 8 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.615 1.284 18318 2970 1 8 . 1 1 16 16 GLY H H 13 8.080 8.080 8.924 -0.844 18318 2971 1 8 . 1 1 17 17 ARG N N 14 123.300 123.300 121.634 1.666 18318 2972 1 8 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.041 -0.081 18318 2973 1 8 . 1 1 17 17 ARG C C 14 179.300 179.300 177.543 1.757 18318 2974 1 8 . 1 1 17 17 ARG CA C 14 59.200 59.200 59.008 0.192 18318 2975 1 8 . 1 1 17 17 ARG CB C 14 29.100 29.100 30.138 -1.038 18318 2976 1 8 . 1 1 17 17 ARG H H 14 8.630 8.630 8.472 0.158 18318 2977 1 8 . 1 1 18 18 GLU N N 15 121.900 121.900 119.788 2.112 18318 2978 1 8 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.116 0.054 18318 2979 1 8 . 1 1 18 18 GLU C C 15 177.900 177.900 178.476 -0.576 18318 2980 1 8 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.487 1.613 18318 2981 1 8 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.472 -1.272 18318 2982 1 8 . 1 1 18 18 GLU H H 15 9.670 9.670 7.807 1.863 18318 2983 1 8 . 1 1 19 19 LEU N N 16 119.400 119.400 119.600 -0.200 18318 2984 1 8 . 1 1 19 19 LEU CA C 16 59.900 59.900 56.882 3.018 18318 2985 1 8 . 1 1 19 19 LEU H H 16 8.090 8.090 7.478 0.612 18318 2986 1 8 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.967 -0.287 18318 2987 1 8 . 1 1 20 20 GLU C C 17 177.200 177.200 179.032 -1.832 18318 2988 1 8 . 1 1 20 20 GLU CA C 17 59.300 59.300 60.172 -0.872 18318 2989 1 8 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.829 -0.829 18318 2990 1 8 . 1 1 21 21 GLN N N 18 118.500 118.500 118.002 0.498 18318 2991 1 8 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.178 -0.138 18318 2992 1 8 . 1 1 21 21 GLN C C 18 177.200 177.200 178.429 -1.229 18318 2993 1 8 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.516 0.484 18318 2994 1 8 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.311 0.389 18318 2995 1 8 . 1 1 21 21 GLN H H 18 8.560 8.560 7.946 0.614 18318 2996 1 8 . 1 1 22 22 TYR N N 19 120.700 120.700 122.481 -1.781 18318 2997 1 8 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.378 -0.098 18318 2998 1 8 . 1 1 22 22 TYR C C 19 176.600 176.600 177.742 -1.142 18318 2999 1 8 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.535 1.565 18318 3000 1 8 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.434 0.466 18318 3001 1 8 . 1 1 22 22 TYR H H 19 8.120 8.120 8.957 -0.837 18318 3002 1 8 . 1 1 23 23 GLY N N 20 105.600 105.600 106.145 -0.545 18318 3003 1 8 . 1 1 23 23 GLY C C 20 176.700 176.700 176.031 0.669 18318 3004 1 8 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.438 0.662 18318 3005 1 8 . 1 1 23 23 GLY H H 20 8.390 8.390 7.813 0.577 18318 3006 1 8 . 1 1 24 24 GLN N N 21 120.300 120.300 120.757 -0.457 18318 3007 1 8 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.327 -0.277 18318 3008 1 8 . 1 1 24 24 GLN C C 21 178.000 178.000 178.256 -0.256 18318 3009 1 8 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.541 0.059 18318 3010 1 8 . 1 1 24 24 GLN CB C 21 27.600 27.600 29.142 -1.542 18318 3011 1 8 . 1 1 24 24 GLN H H 21 8.130 8.130 7.627 0.503 18318 3012 1 8 . 1 1 25 25 CYS N N 22 121.500 121.500 119.078 2.422 18318 3013 1 8 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.404 -0.124 18318 3014 1 8 . 1 1 25 25 CYS C C 22 175.400 175.400 177.159 -1.759 18318 3015 1 8 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.448 -1.848 18318 3016 1 8 . 1 1 25 25 CYS CB C 22 39.900 39.900 27.177 12.723 18318 3017 1 8 . 1 1 25 25 CYS H H 22 7.610 7.610 8.340 -0.730 18318 3018 1 8 . 1 1 26 26 VAL N N 23 119.900 119.900 120.070 -0.170 18318 3019 1 8 . 1 1 26 26 VAL HA H 23 3.790 3.790 3.846 -0.056 18318 3020 1 8 . 1 1 26 26 VAL C C 23 177.100 177.100 177.364 -0.264 18318 3021 1 8 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.698 0.202 18318 3022 1 8 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.462 -2.162 18318 3023 1 8 . 1 1 26 26 VAL H H 23 8.040 8.040 7.430 0.610 18318 3024 1 8 . 1 1 27 27 ALA N N 24 117.400 117.400 120.631 -3.231 18318 3025 1 8 . 1 1 27 27 ALA HA H 24 4.100 4.100 3.994 0.106 18318 3026 1 8 . 1 1 27 27 ALA C C 24 178.600 178.600 178.931 -0.331 18318 3027 1 8 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.545 -0.445 18318 3028 1 8 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.589 -0.689 18318 3029 1 8 . 1 1 27 27 ALA H H 24 7.430 7.430 7.466 -0.036 18318 3030 1 8 . 1 1 28 28 ALA N N 25 116.100 116.100 120.255 -4.155 18318 3031 1 8 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.115 0.215 18318 3032 1 8 . 1 1 28 28 ALA C C 25 178.100 178.100 178.170 -0.070 18318 3033 1 8 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.931 -1.331 18318 3034 1 8 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.425 -0.325 18318 3035 1 8 . 1 1 28 28 ALA H H 25 7.120 7.120 7.602 -0.482 18318 3036 1 8 . 1 1 29 29 LYS N N 26 119.200 119.200 113.576 5.624 18318 3037 1 8 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.371 5.329 18318 3038 1 8 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.749 -2.649 18318 3039 1 8 . 1 1 29 29 LYS H H 26 7.560 7.560 7.587 -0.027 18318 3040 1 8 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.268 -0.058 18318 3041 1 8 . 1 1 30 30 PRO C C 27 177.000 177.000 178.347 -1.347 18318 3042 1 8 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.517 0.383 18318 3043 1 8 . 1 1 30 30 PRO CB C 27 31.600 31.600 31.967 -0.367 18318 3044 1 8 . 1 1 31 31 GLU N N 28 114.600 114.600 118.059 -3.459 18318 3045 1 8 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.268 0.182 18318 3046 1 8 . 1 1 31 31 GLU C C 28 176.100 176.100 178.139 -2.039 18318 3047 1 8 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.310 -1.110 18318 3048 1 8 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.213 1.387 18318 3049 1 8 . 1 1 31 31 GLU H H 28 8.770 8.770 8.855 -0.085 18318 3050 1 8 . 1 1 32 32 SER N N 29 111.000 111.000 115.928 -4.928 18318 3051 1 8 . 1 1 32 32 SER HA H 29 4.510 4.510 4.231 0.279 18318 3052 1 8 . 1 1 32 32 SER C C 29 176.600 176.600 175.931 0.669 18318 3053 1 8 . 1 1 32 32 SER CA C 29 58.500 58.500 60.190 -1.690 18318 3054 1 8 . 1 1 32 32 SER CB C 29 63.800 63.800 62.686 1.114 18318 3055 1 8 . 1 1 32 32 SER H H 29 7.750 7.750 8.244 -0.494 18318 3056 1 8 . 1 1 33 33 TRP N N 30 125.000 125.000 124.500 0.500 18318 3057 1 8 . 1 1 33 33 TRP C C 30 177.200 177.200 177.795 -0.595 18318 3058 1 8 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.698 -0.698 18318 3059 1 8 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.893 0.607 18318 3060 1 8 . 1 1 33 33 TRP H H 30 7.820 7.820 7.616 0.204 18318 3061 1 8 . 1 1 34 34 GLN N N 31 123.600 123.600 114.226 9.374 18318 3062 1 8 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.171 0.279 18318 3063 1 8 . 1 1 34 34 GLN C C 31 176.800 176.800 176.874 -0.074 18318 3064 1 8 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.135 2.765 18318 3065 1 8 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.395 -1.895 18318 3066 1 8 . 1 1 34 34 GLN H H 31 8.240 8.240 7.466 0.774 18318 3067 1 8 . 1 1 35 35 ARG N N 32 115.900 115.900 119.251 -3.351 18318 3068 1 8 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.955 0.325 18318 3069 1 8 . 1 1 35 35 ARG C C 32 178.900 178.900 178.171 0.729 18318 3070 1 8 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.608 -1.208 18318 3071 1 8 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.502 0.798 18318 3072 1 8 . 1 1 35 35 ARG H H 32 7.450 7.450 7.475 -0.025 18318 3073 1 8 . 1 1 36 36 ASP N N 33 117.700 117.700 118.569 -0.869 18318 3074 1 8 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.532 -0.392 18318 3075 1 8 . 1 1 36 36 ASP C C 33 177.600 177.600 176.908 0.692 18318 3076 1 8 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.798 0.402 18318 3077 1 8 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.474 -0.574 18318 3078 1 8 . 1 1 36 36 ASP H H 33 8.760 8.760 8.351 0.409 18318 3079 1 8 . 1 1 37 37 CYS N N 34 113.300 113.300 115.708 -2.408 18318 3080 1 8 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.762 0.638 18318 3081 1 8 . 1 1 37 37 CYS C C 34 175.800 175.800 174.316 1.484 18318 3082 1 8 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.885 -3.785 18318 3083 1 8 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.859 13.641 18318 3084 1 8 . 1 1 37 37 CYS H H 34 8.260 8.260 7.671 0.589 18318 3085 1 8 . 1 1 38 38 HIS N N 35 124.200 124.200 123.915 0.285 18318 3086 1 8 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.240 0.110 18318 3087 1 8 . 1 1 38 38 HIS C C 35 177.400 177.400 176.094 1.306 18318 3088 1 8 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.450 2.550 18318 3089 1 8 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.747 -0.147 18318 3090 1 8 . 1 1 38 38 HIS H H 35 7.520 7.520 8.212 -0.692 18318 3091 1 8 . 1 1 39 39 TYR N N 36 117.100 117.100 117.944 -0.844 18318 3092 1 8 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.184 0.116 18318 3093 1 8 . 1 1 39 39 TYR C C 36 177.700 177.700 178.049 -0.349 18318 3094 1 8 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.636 -0.036 18318 3095 1 8 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.117 -0.917 18318 3096 1 8 . 1 1 39 39 TYR H H 36 8.930 8.930 8.002 0.928 18318 3097 1 8 . 1 1 40 40 LEU N N 37 122.000 122.000 119.439 2.561 18318 3098 1 8 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.222 -0.052 18318 3099 1 8 . 1 1 40 40 LEU C C 37 179.400 179.400 179.186 0.214 18318 3100 1 8 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.550 -1.050 18318 3101 1 8 . 1 1 40 40 LEU CB C 37 42.400 42.400 40.878 1.522 18318 3102 1 8 . 1 1 40 40 LEU H H 37 6.940 6.940 8.276 -1.336 18318 3103 1 8 . 1 1 41 41 LYS N N 38 125.300 125.300 118.862 6.438 18318 3104 1 8 . 1 1 41 41 LYS C C 38 179.600 179.600 178.626 0.974 18318 3105 1 8 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.318 0.282 18318 3106 1 8 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.960 -0.960 18318 3107 1 8 . 1 1 41 41 LYS H H 38 7.880 7.880 7.757 0.123 18318 3108 1 8 . 1 1 42 42 MET N N 39 117.600 117.600 117.558 0.042 18318 3109 1 8 . 1 1 42 42 MET HA H 39 4.120 4.120 4.226 -0.106 18318 3110 1 8 . 1 1 42 42 MET C C 39 178.900 178.900 177.835 1.065 18318 3111 1 8 . 1 1 42 42 MET CA C 39 57.200 57.200 57.894 -0.694 18318 3112 1 8 . 1 1 42 42 MET CB C 39 30.000 30.000 33.004 -3.004 18318 3113 1 8 . 1 1 42 42 MET H H 39 8.090 8.090 7.416 0.674 18318 3114 1 8 . 1 1 43 43 SER N N 40 115.900 115.900 116.624 -0.724 18318 3115 1 8 . 1 1 43 43 SER HA H 40 4.290 4.290 4.267 0.023 18318 3116 1 8 . 1 1 43 43 SER C C 40 177.400 177.400 176.837 0.563 18318 3117 1 8 . 1 1 43 43 SER CA C 40 61.700 61.700 61.248 0.452 18318 3118 1 8 . 1 1 43 43 SER CB C 40 62.500 62.500 63.442 -0.942 18318 3119 1 8 . 1 1 43 43 SER H H 40 7.600 7.600 7.754 -0.154 18318 3120 1 8 . 1 1 44 44 ILE N N 41 121.900 121.900 117.799 4.101 18318 3121 1 8 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.089 -0.549 18318 3122 1 8 . 1 1 44 44 ILE C C 41 177.500 177.500 176.993 0.507 18318 3123 1 8 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.742 2.358 18318 3124 1 8 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.455 0.445 18318 3125 1 8 . 1 1 44 44 ILE H H 41 7.540 7.540 8.237 -0.697 18318 3126 1 8 . 1 1 45 45 ALA N N 42 122.600 122.600 123.405 -0.805 18318 3127 1 8 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.061 0.119 18318 3128 1 8 . 1 1 45 45 ALA C C 42 180.200 180.200 179.722 0.478 18318 3129 1 8 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.594 0.206 18318 3130 1 8 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.569 -1.269 18318 3131 1 8 . 1 1 45 45 ALA H H 42 7.420 7.420 7.517 -0.097 18318 3132 1 8 . 1 1 46 46 GLN N N 43 118.400 118.400 116.367 2.033 18318 3133 1 8 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.004 -0.034 18318 3134 1 8 . 1 1 46 46 GLN C C 43 178.500 178.500 176.985 1.515 18318 3135 1 8 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.397 0.303 18318 3136 1 8 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.797 -0.997 18318 3137 1 8 . 1 1 46 46 GLN H H 43 8.290 8.290 7.920 0.370 18318 3138 1 8 . 1 1 47 47 CYS N N 44 119.500 119.500 117.939 1.561 18318 3139 1 8 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.268 -0.178 18318 3140 1 8 . 1 1 47 47 CYS C C 44 176.500 176.500 177.243 -0.743 18318 3141 1 8 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.508 -1.208 18318 3142 1 8 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.526 12.374 18318 3143 1 8 . 1 1 47 47 CYS H H 44 7.590 7.590 7.742 -0.152 18318 3144 1 8 . 1 1 48 48 THR N N 45 113.000 113.000 113.615 -0.615 18318 3145 1 8 . 1 1 48 48 THR C C 45 175.900 175.900 176.222 -0.322 18318 3146 1 8 . 1 1 48 48 THR CA C 45 65.400 65.400 64.816 0.584 18318 3147 1 8 . 1 1 48 48 THR CB C 45 68.800 68.800 68.540 0.260 18318 3148 1 8 . 1 1 48 48 THR H H 45 8.810 8.810 7.780 1.030 18318 3149 1 8 . 1 1 49 49 SER N N 46 113.200 113.200 115.781 -2.581 18318 3150 1 8 . 1 1 49 49 SER HA H 46 4.380 4.380 4.600 -0.220 18318 3151 1 8 . 1 1 49 49 SER C C 46 175.600 175.600 174.885 0.715 18318 3152 1 8 . 1 1 49 49 SER CA C 46 60.000 60.000 58.472 1.528 18318 3153 1 8 . 1 1 49 49 SER CB C 46 63.900 63.900 63.005 0.895 18318 3154 1 8 . 1 1 49 49 SER H H 46 7.890 7.890 7.698 0.192 18318 3155 1 8 . 1 1 50 50 SER N N 47 114.100 114.100 116.027 -1.927 18318 3156 1 8 . 1 1 50 50 SER HA H 47 4.390 4.390 4.603 -0.213 18318 3157 1 8 . 1 1 50 50 SER CA C 47 59.100 59.100 59.348 -0.248 18318 3158 1 8 . 1 1 50 50 SER CB C 47 64.800 64.800 64.170 0.630 18318 3159 1 8 . 1 1 50 50 SER H H 47 7.770 7.770 7.539 0.231 18318 3160 1 8 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.077 0.513 18318 3161 1 8 . 1 1 55 55 ARG C C 52 178.500 178.500 178.299 0.201 18318 3162 1 8 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.845 1.155 18318 3163 1 8 . 1 1 56 56 GLN N N 53 117.700 117.700 120.382 -2.682 18318 3164 1 8 . 1 1 56 56 GLN C C 53 175.000 175.000 178.347 -3.347 18318 3165 1 8 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.213 0.987 18318 3166 1 8 . 1 1 56 56 GLN H H 53 8.110 8.110 8.585 -0.475 18318 3167 1 8 . 1 1 57 57 ILE N N 54 121.200 121.200 116.797 4.403 18318 3168 1 8 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.730 -0.410 18318 3169 1 8 . 1 1 57 57 ILE C C 54 178.700 178.700 177.577 1.123 18318 3170 1 8 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.413 2.587 18318 3171 1 8 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.301 0.399 18318 3172 1 8 . 1 1 57 57 ILE H H 54 7.820 7.820 8.043 -0.223 18318 3173 1 8 . 1 1 58 58 ARG N N 55 118.900 118.900 120.607 -1.707 18318 3174 1 8 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.894 0.416 18318 3175 1 8 . 1 1 58 58 ARG C C 55 178.600 178.600 177.297 1.303 18318 3176 1 8 . 1 1 58 58 ARG CA C 55 59.900 59.900 59.118 0.782 18318 3177 1 8 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.106 1.394 18318 3178 1 8 . 1 1 58 58 ARG H H 55 8.250 8.250 7.370 0.880 18318 3179 1 8 . 1 1 59 59 GLN N N 56 115.800 115.800 116.406 -0.606 18318 3180 1 8 . 1 1 59 59 GLN C C 56 178.100 178.100 177.557 0.543 18318 3181 1 8 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.898 0.102 18318 3182 1 8 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.933 -0.133 18318 3183 1 8 . 1 1 59 59 GLN H H 56 7.920 7.920 7.889 0.031 18318 3184 1 8 . 1 1 60 60 ALA N N 57 121.600 121.600 121.252 0.348 18318 3185 1 8 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.137 0.043 18318 3186 1 8 . 1 1 60 60 ALA C C 57 179.600 179.600 177.760 1.840 18318 3187 1 8 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.329 1.171 18318 3188 1 8 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.290 -0.390 18318 3189 1 8 . 1 1 60 60 ALA H H 57 8.490 8.490 7.571 0.919 18318 3190 1 8 . 1 1 61 61 CYS N N 58 114.000 114.000 117.627 -3.627 18318 3191 1 8 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.336 0.794 18318 3192 1 8 . 1 1 61 61 CYS C C 58 175.000 175.000 174.573 0.427 18318 3193 1 8 . 1 1 61 61 CYS CA C 58 52.700 52.700 60.311 -7.611 18318 3194 1 8 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.675 14.125 18318 3195 1 8 . 1 1 61 61 CYS H H 58 8.370 8.370 7.506 0.864 18318 3196 1 8 . 1 1 62 62 ALA N N 59 124.900 124.900 128.686 -3.786 18318 3197 1 8 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.326 -0.056 18318 3198 1 8 . 1 1 62 62 ALA C C 59 179.200 179.200 178.650 0.550 18318 3199 1 8 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.413 3.087 18318 3200 1 8 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.971 -1.171 18318 3201 1 8 . 1 1 62 62 ALA H H 59 7.200 7.200 8.393 -1.193 18318 3202 1 8 . 1 1 63 63 GLN N N 60 115.800 115.800 119.505 -3.705 18318 3203 1 8 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.162 0.318 18318 3204 1 8 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.227 -0.027 18318 3205 1 8 . 1 1 63 63 GLN CB C 60 24.700 24.700 27.233 -2.533 18318 3206 1 8 . 1 1 63 63 GLN H H 60 9.040 9.040 8.745 0.295 18318 3207 1 8 . 1 1 64 64 PRO C C 61 179.700 179.700 178.121 1.579 18318 3208 1 8 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.147 0.453 18318 3209 1 8 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.413 -0.614 18318 3210 1 8 . 1 1 65 65 PHE N N 62 120.500 120.500 119.644 0.856 18318 3211 1 8 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.404 -0.124 18318 3212 1 8 . 1 1 65 65 PHE C C 62 176.400 176.400 177.041 -0.641 18318 3213 1 8 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.699 1.701 18318 3214 1 8 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.618 -1.018 18318 3215 1 8 . 1 1 65 65 PHE H H 62 8.500 8.500 7.333 1.167 18318 3216 1 8 . 1 1 66 66 GLU N N 63 120.200 120.200 119.949 0.251 18318 3217 1 8 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.961 0.069 18318 3218 1 8 . 1 1 66 66 GLU C C 63 179.300 179.300 178.596 0.704 18318 3219 1 8 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.100 0.100 18318 3220 1 8 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.906 -1.406 18318 3221 1 8 . 1 1 66 66 GLU H H 63 8.900 8.900 8.041 0.859 18318 3222 1 8 . 1 1 67 67 ALA N N 64 120.600 120.600 122.604 -2.004 18318 3223 1 8 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.059 -0.189 18318 3224 1 8 . 1 1 67 67 ALA C C 64 180.500 180.500 178.976 1.524 18318 3225 1 8 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.060 -0.360 18318 3226 1 8 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.569 -0.469 18318 3227 1 8 . 1 1 67 67 ALA H H 64 8.150 8.150 7.585 0.565 18318 3228 1 8 . 1 1 68 68 PHE N N 65 120.000 120.000 118.249 1.751 18318 3229 1 8 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.085 0.235 18318 3230 1 8 . 1 1 68 68 PHE C C 65 175.400 175.400 177.126 -1.726 18318 3231 1 8 . 1 1 68 68 PHE CA C 65 59.800 59.800 61.473 -1.673 18318 3232 1 8 . 1 1 68 68 PHE CB C 65 38.000 38.000 39.056 -1.056 18318 3233 1 8 . 1 1 68 68 PHE H H 65 7.810 7.810 7.927 -0.117 18318 3234 1 8 . 1 1 69 69 GLU N N 66 119.400 119.400 117.665 1.735 18318 3235 1 8 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.393 0.777 18318 3236 1 8 . 1 1 69 69 GLU C C 66 178.800 178.800 178.129 0.671 18318 3237 1 8 . 1 1 69 69 GLU CA C 66 60.200 60.200 57.914 2.286 18318 3238 1 8 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.163 -0.063 18318 3239 1 8 . 1 1 69 69 GLU H H 66 8.330 8.330 7.848 0.482 18318 3240 1 8 . 1 1 70 70 GLU N N 67 118.600 118.600 120.219 -1.619 18318 3241 1 8 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.116 -0.146 18318 3242 1 8 . 1 1 70 70 GLU C C 67 177.700 177.700 178.374 -0.674 18318 3243 1 8 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.698 0.102 18318 3244 1 8 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.761 -1.061 18318 3245 1 8 . 1 1 70 70 GLU H H 67 8.240 8.240 7.272 0.968 18318 3246 1 8 . 1 1 71 71 CYS N N 68 119.100 119.100 118.880 0.220 18318 3247 1 8 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.140 -0.060 18318 3248 1 8 . 1 1 71 71 CYS C C 68 177.900 177.900 176.977 0.923 18318 3249 1 8 . 1 1 71 71 CYS CA C 68 60.600 60.600 64.225 -3.625 18318 3250 1 8 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.493 12.507 18318 3251 1 8 . 1 1 71 71 CYS H H 68 7.580 7.580 8.611 -1.031 18318 3252 1 8 . 1 1 72 72 LEU N N 69 122.000 122.000 118.474 3.526 18318 3253 1 8 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.236 -0.536 18318 3254 1 8 . 1 1 72 72 LEU C C 69 179.300 179.300 178.705 0.595 18318 3255 1 8 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.759 0.841 18318 3256 1 8 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.313 -0.313 18318 3257 1 8 . 1 1 72 72 LEU H H 69 8.090 8.090 7.699 0.391 18318 3258 1 8 . 1 1 73 73 ARG N N 70 117.400 117.400 118.516 -1.116 18318 3259 1 8 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.906 0.104 18318 3260 1 8 . 1 1 73 73 ARG C C 70 178.500 178.500 178.575 -0.075 18318 3261 1 8 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.867 -0.167 18318 3262 1 8 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.585 0.515 18318 3263 1 8 . 1 1 73 73 ARG H H 70 7.600 7.600 7.419 0.181 18318 3264 1 8 . 1 1 74 74 GLN N N 71 115.800 115.800 115.795 0.005 18318 3265 1 8 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.376 -0.086 18318 3266 1 8 . 1 1 74 74 GLN C C 71 176.200 176.200 177.116 -0.916 18318 3267 1 8 . 1 1 74 74 GLN CA C 71 56.400 56.400 57.261 -0.861 18318 3268 1 8 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.205 -1.005 18318 3269 1 8 . 1 1 74 74 GLN H H 71 7.580 7.580 7.553 0.027 18318 3270 1 8 . 1 1 75 75 ASN N N 72 118.600 118.600 118.748 -0.148 18318 3271 1 8 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.983 0.007 18318 3272 1 8 . 1 1 75 75 ASN C C 72 174.800 174.800 175.647 -0.847 18318 3273 1 8 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.642 0.358 18318 3274 1 8 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.521 1.279 18318 3275 1 8 . 1 1 75 75 ASN H H 72 7.750 7.750 8.072 -0.322 18318 3276 1 8 . 1 1 76 76 GLU N N 73 120.200 120.200 121.582 -1.382 18318 3277 1 8 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.900 0.060 18318 3278 1 8 . 1 1 76 76 GLU C C 73 176.800 176.800 176.544 0.256 18318 3279 1 8 . 1 1 76 76 GLU CA C 73 59.200 59.200 58.965 0.235 18318 3280 1 8 . 1 1 76 76 GLU CB C 73 29.100 29.100 28.923 0.177 18318 3281 1 8 . 1 1 76 76 GLU H H 73 7.950 7.950 8.020 -0.070 18318 3282 1 8 . 1 1 77 77 ALA N N 74 119.200 119.200 121.068 -1.868 18318 3283 1 8 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.416 -0.056 18318 3284 1 8 . 1 1 77 77 ALA C C 74 175.400 175.400 176.959 -1.559 18318 3285 1 8 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.628 0.472 18318 3286 1 8 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.550 -0.350 18318 3287 1 8 . 1 1 77 77 ALA H H 74 8.320 8.320 7.915 0.405 18318 3288 1 8 . 1 1 78 78 ALA N N 75 124.400 124.400 122.664 1.736 18318 3289 1 8 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.696 -0.316 18318 3290 1 8 . 1 1 78 78 ALA C C 75 177.200 177.200 177.903 -0.703 18318 3291 1 8 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.968 -0.568 18318 3292 1 8 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.711 -1.711 18318 3293 1 8 . 1 1 78 78 ALA H H 75 7.900 7.900 7.674 0.226 18318 3294 1 8 . 1 1 79 79 VAL N N 76 118.400 118.400 119.617 -1.217 18318 3295 1 8 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.312 -0.522 18318 3296 1 8 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.197 1.903 18318 3297 1 8 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.713 -0.413 18318 3298 1 8 . 1 1 79 79 VAL H H 76 8.100 8.100 8.058 0.042 18318 3299 1 8 . 1 1 80 80 GLY C C 77 175.900 175.900 175.382 0.518 18318 3300 1 8 . 1 1 80 80 GLY CA C 77 46.400 46.400 47.001 -0.601 18318 3301 1 8 . 1 1 81 81 ASN N N 78 119.300 119.300 117.718 1.582 18318 3302 1 8 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.824 -0.224 18318 3303 1 8 . 1 1 81 81 ASN C C 78 176.700 176.700 174.244 2.456 18318 3304 1 8 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.078 0.422 18318 3305 1 8 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.764 -2.464 18318 3306 1 8 . 1 1 81 81 ASN H H 78 8.200 8.200 7.959 0.241 18318 3307 1 8 . 1 1 82 82 CYS N N 79 117.200 117.200 113.600 3.600 18318 3308 1 8 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.691 0.709 18318 3309 1 8 . 1 1 82 82 CYS C C 79 175.800 175.800 172.536 3.264 18318 3310 1 8 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.898 -3.397 18318 3311 1 8 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.048 9.252 18318 3312 1 8 . 1 1 82 82 CYS H H 79 8.330 8.330 7.662 0.668 18318 3313 1 8 . 1 1 83 83 ALA N N 80 125.000 125.000 124.544 0.456 18318 3314 1 8 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.831 -0.681 18318 3315 1 8 . 1 1 83 83 ALA C C 80 179.900 179.900 177.753 2.147 18318 3316 1 8 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.538 4.662 18318 3317 1 8 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.847 -1.647 18318 3318 1 8 . 1 1 83 83 ALA H H 80 7.700 7.700 8.535 -0.835 18318 3319 1 8 . 1 1 84 84 GLU N N 81 118.900 118.900 126.718 -7.818 18318 3320 1 8 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.252 -0.302 18318 3321 1 8 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.857 0.143 18318 3322 1 8 . 1 1 84 84 GLU CB C 81 28.900 28.900 28.903 -0.003 18318 3323 1 8 . 1 1 84 84 GLU H H 81 8.920 8.920 9.212 -0.292 18318 3324 1 8 . 1 1 85 85 HIS C C 82 178.500 178.500 177.224 1.276 18318 3325 1 8 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.408 -3.308 18318 3326 1 8 . 1 1 86 86 MET N N 83 118.800 118.800 118.367 0.433 18318 3327 1 8 . 1 1 86 86 MET C C 83 177.200 177.200 178.432 -1.232 18318 3328 1 8 . 1 1 86 86 MET CA C 83 58.900 58.900 58.573 0.327 18318 3329 1 8 . 1 1 86 86 MET CB C 83 31.300 31.300 32.382 -1.081 18318 3330 1 8 . 1 1 86 86 MET H H 83 7.460 7.460 8.556 -1.096 18318 3331 1 8 . 1 1 87 87 ARG N N 84 119.500 119.500 119.893 -0.393 18318 3332 1 8 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.013 -0.103 18318 3333 1 8 . 1 1 87 87 ARG C C 84 178.600 178.600 178.389 0.211 18318 3334 1 8 . 1 1 87 87 ARG CA C 84 59.900 59.900 60.160 -0.260 18318 3335 1 8 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.944 -0.444 18318 3336 1 8 . 1 1 87 87 ARG H H 84 8.220 8.220 7.835 0.385 18318 3337 1 8 . 1 1 88 88 ARG N N 85 117.900 117.900 118.675 -0.775 18318 3338 1 8 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.061 -0.141 18318 3339 1 8 . 1 1 88 88 ARG C C 85 179.700 179.700 178.628 1.072 18318 3340 1 8 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.410 0.090 18318 3341 1 8 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.802 0.198 18318 3342 1 8 . 1 1 88 88 ARG H H 85 8.100 8.100 7.498 0.602 18318 3343 1 8 . 1 1 89 89 PHE N N 86 119.700 119.700 119.317 0.383 18318 3344 1 8 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.142 0.208 18318 3345 1 8 . 1 1 89 89 PHE C C 86 175.600 175.600 177.995 -2.395 18318 3346 1 8 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.936 -0.836 18318 3347 1 8 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.894 -1.094 18318 3348 1 8 . 1 1 89 89 PHE H H 86 7.930 7.930 7.649 0.281 18318 3349 1 8 . 1 1 90 90 LEU N N 87 120.400 120.400 120.304 0.096 18318 3350 1 8 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.844 -0.134 18318 3351 1 8 . 1 1 90 90 LEU C C 87 179.200 179.200 178.672 0.528 18318 3352 1 8 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.565 -0.865 18318 3353 1 8 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.913 -1.613 18318 3354 1 8 . 1 1 90 90 LEU H H 87 8.640 8.640 8.461 0.179 18318 3355 1 8 . 1 1 91 91 GLN N N 88 118.200 118.200 117.862 0.338 18318 3356 1 8 . 1 1 91 91 GLN HA H 88 4.040 4.040 3.921 0.119 18318 3357 1 8 . 1 1 91 91 GLN C C 88 178.000 178.000 178.706 -0.706 18318 3358 1 8 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.551 -0.851 18318 3359 1 8 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.665 -0.665 18318 3360 1 8 . 1 1 91 91 GLN H H 88 8.380 8.380 7.948 0.432 18318 3361 1 8 . 1 1 92 92 CYS N N 89 119.000 119.000 117.131 1.869 18318 3362 1 8 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.190 -0.140 18318 3363 1 8 . 1 1 92 92 CYS C C 89 176.600 176.600 176.696 -0.096 18318 3364 1 8 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.531 -2.431 18318 3365 1 8 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.741 13.759 18318 3366 1 8 . 1 1 92 92 CYS H H 89 7.390 7.390 8.473 -1.083 18318 3367 1 8 . 1 1 93 93 ALA N N 90 122.900 122.900 119.903 2.997 18318 3368 1 8 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.163 -0.253 18318 3369 1 8 . 1 1 93 93 ALA C C 90 179.200 179.200 179.202 -0.002 18318 3370 1 8 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.582 0.118 18318 3371 1 8 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.346 -0.546 18318 3372 1 8 . 1 1 93 93 ALA H H 90 8.410 8.410 7.909 0.501 18318 3373 1 8 . 1 1 94 94 GLU N N 91 115.800 115.800 117.971 -2.171 18318 3374 1 8 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.309 -0.159 18318 3375 1 8 . 1 1 94 94 GLU C C 91 177.400 177.400 177.884 -0.484 18318 3376 1 8 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.884 0.016 18318 3377 1 8 . 1 1 94 94 GLU CB C 91 29.400 29.400 30.338 -0.938 18318 3378 1 8 . 1 1 94 94 GLU H H 91 7.880 7.880 7.819 0.061 18318 3379 1 8 . 1 1 95 95 GLN N N 92 115.500 115.500 118.353 -2.853 18318 3380 1 8 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.496 -0.206 18318 3381 1 8 . 1 1 95 95 GLN C C 92 176.600 176.600 175.499 1.101 18318 3382 1 8 . 1 1 95 95 GLN CA C 92 56.300 56.300 54.598 1.702 18318 3383 1 8 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.472 -0.572 18318 3384 1 8 . 1 1 95 95 GLN H H 92 7.450 7.450 7.743 -0.293 18318 3385 1 9 . 1 1 15 15 CYS N N 12 117.500 117.500 122.191 -4.691 18318 3386 1 9 . 1 1 15 15 CYS C C 12 175.500 175.500 175.711 -0.211 18318 3387 1 9 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.701 -5.001 18318 3388 1 9 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.522 7.178 18318 3389 1 9 . 1 1 15 15 CYS H H 12 8.280 8.280 8.971 -0.691 18318 3390 1 9 . 1 1 16 16 GLY N N 13 108.700 108.700 110.950 -2.250 18318 3391 1 9 . 1 1 16 16 GLY C C 13 176.600 176.600 174.957 1.643 18318 3392 1 9 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.197 1.704 18318 3393 1 9 . 1 1 16 16 GLY H H 13 8.080 8.080 8.953 -0.873 18318 3394 1 9 . 1 1 17 17 ARG N N 14 123.300 123.300 118.356 4.944 18318 3395 1 9 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.288 -0.328 18318 3396 1 9 . 1 1 17 17 ARG C C 14 179.300 179.300 177.110 2.190 18318 3397 1 9 . 1 1 17 17 ARG CA C 14 59.200 59.200 57.186 2.014 18318 3398 1 9 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.283 -0.183 18318 3399 1 9 . 1 1 17 17 ARG H H 14 8.630 8.630 8.210 0.420 18318 3400 1 9 . 1 1 18 18 GLU N N 15 121.900 121.900 121.388 0.512 18318 3401 1 9 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.172 -0.002 18318 3402 1 9 . 1 1 18 18 GLU C C 15 177.900 177.900 177.259 0.641 18318 3403 1 9 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.674 2.426 18318 3404 1 9 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.819 -1.619 18318 3405 1 9 . 1 1 18 18 GLU H H 15 9.670 9.670 7.564 2.106 18318 3406 1 9 . 1 1 19 19 LEU N N 16 119.400 119.400 120.690 -1.290 18318 3407 1 9 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.772 2.128 18318 3408 1 9 . 1 1 19 19 LEU H H 16 8.090 8.090 7.794 0.296 18318 3409 1 9 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.952 -0.272 18318 3410 1 9 . 1 1 20 20 GLU C C 17 177.200 177.200 178.893 -1.693 18318 3411 1 9 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.807 -0.507 18318 3412 1 9 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.447 -0.447 18318 3413 1 9 . 1 1 21 21 GLN N N 18 118.500 118.500 118.582 -0.082 18318 3414 1 9 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.152 -0.112 18318 3415 1 9 . 1 1 21 21 GLN C C 18 177.200 177.200 178.845 -1.645 18318 3416 1 9 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.814 0.186 18318 3417 1 9 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.092 -0.392 18318 3418 1 9 . 1 1 21 21 GLN H H 18 8.560 8.560 7.623 0.937 18318 3419 1 9 . 1 1 22 22 TYR N N 19 120.700 120.700 120.248 0.452 18318 3420 1 9 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.402 -0.122 18318 3421 1 9 . 1 1 22 22 TYR C C 19 176.600 176.600 178.798 -2.198 18318 3422 1 9 . 1 1 22 22 TYR CA C 19 62.100 62.100 61.032 1.068 18318 3423 1 9 . 1 1 22 22 TYR CB C 19 38.900 38.900 37.752 1.148 18318 3424 1 9 . 1 1 22 22 TYR H H 19 8.120 8.120 9.225 -1.105 18318 3425 1 9 . 1 1 23 23 GLY N N 20 105.600 105.600 106.478 -0.878 18318 3426 1 9 . 1 1 23 23 GLY C C 20 176.700 176.700 176.269 0.431 18318 3427 1 9 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.081 0.019 18318 3428 1 9 . 1 1 23 23 GLY H H 20 8.390 8.390 8.353 0.037 18318 3429 1 9 . 1 1 24 24 GLN N N 21 120.300 120.300 121.618 -1.318 18318 3430 1 9 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.129 -0.079 18318 3431 1 9 . 1 1 24 24 GLN C C 21 178.000 178.000 178.470 -0.470 18318 3432 1 9 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.150 -0.550 18318 3433 1 9 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.756 -1.156 18318 3434 1 9 . 1 1 24 24 GLN H H 21 8.130 8.130 7.733 0.397 18318 3435 1 9 . 1 1 25 25 CYS N N 22 121.500 121.500 119.245 2.255 18318 3436 1 9 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.273 0.007 18318 3437 1 9 . 1 1 25 25 CYS C C 22 175.400 175.400 177.683 -2.283 18318 3438 1 9 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.187 -2.587 18318 3439 1 9 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.520 13.380 18318 3440 1 9 . 1 1 25 25 CYS H H 22 7.610 7.610 8.442 -0.832 18318 3441 1 9 . 1 1 26 26 VAL N N 23 119.900 119.900 120.637 -0.737 18318 3442 1 9 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.016 -0.226 18318 3443 1 9 . 1 1 26 26 VAL C C 23 177.100 177.100 177.880 -0.780 18318 3444 1 9 . 1 1 26 26 VAL CA C 23 65.900 65.900 66.184 -0.284 18318 3445 1 9 . 1 1 26 26 VAL CB C 23 29.300 29.300 32.033 -2.733 18318 3446 1 9 . 1 1 26 26 VAL H H 23 8.040 8.040 8.289 -0.249 18318 3447 1 9 . 1 1 27 27 ALA N N 24 117.400 117.400 121.045 -3.645 18318 3448 1 9 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.056 0.044 18318 3449 1 9 . 1 1 27 27 ALA C C 24 178.600 178.600 179.069 -0.469 18318 3450 1 9 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.653 -0.553 18318 3451 1 9 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.843 -0.943 18318 3452 1 9 . 1 1 27 27 ALA H H 24 7.430 7.430 8.111 -0.681 18318 3453 1 9 . 1 1 28 28 ALA N N 25 116.100 116.100 120.957 -4.857 18318 3454 1 9 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.115 0.215 18318 3455 1 9 . 1 1 28 28 ALA C C 25 178.100 178.100 178.012 0.088 18318 3456 1 9 . 1 1 28 28 ALA CA C 25 52.600 52.600 54.153 -1.553 18318 3457 1 9 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.480 -0.380 18318 3458 1 9 . 1 1 28 28 ALA H H 25 7.120 7.120 7.679 -0.559 18318 3459 1 9 . 1 1 29 29 LYS N N 26 119.200 119.200 113.304 5.896 18318 3460 1 9 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.761 4.939 18318 3461 1 9 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.820 -2.720 18318 3462 1 9 . 1 1 29 29 LYS H H 26 7.560 7.560 7.600 -0.040 18318 3463 1 9 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.295 -0.085 18318 3464 1 9 . 1 1 30 30 PRO C C 27 177.000 177.000 178.185 -1.185 18318 3465 1 9 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.609 0.292 18318 3466 1 9 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.075 -0.475 18318 3467 1 9 . 1 1 31 31 GLU N N 28 114.600 114.600 117.991 -3.391 18318 3468 1 9 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.563 -0.113 18318 3469 1 9 . 1 1 31 31 GLU C C 28 176.100 176.100 178.193 -2.093 18318 3470 1 9 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.591 -1.391 18318 3471 1 9 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.358 1.242 18318 3472 1 9 . 1 1 31 31 GLU H H 28 8.770 8.770 8.926 -0.156 18318 3473 1 9 . 1 1 32 32 SER N N 29 111.000 111.000 115.793 -4.793 18318 3474 1 9 . 1 1 32 32 SER HA H 29 4.510 4.510 4.287 0.223 18318 3475 1 9 . 1 1 32 32 SER C C 29 176.600 176.600 176.095 0.505 18318 3476 1 9 . 1 1 32 32 SER CA C 29 58.500 58.500 60.097 -1.597 18318 3477 1 9 . 1 1 32 32 SER CB C 29 63.800 63.800 62.703 1.097 18318 3478 1 9 . 1 1 32 32 SER H H 29 7.750 7.750 8.374 -0.624 18318 3479 1 9 . 1 1 33 33 TRP N N 30 125.000 125.000 121.627 3.373 18318 3480 1 9 . 1 1 33 33 TRP C C 30 177.200 177.200 177.072 0.128 18318 3481 1 9 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.301 0.699 18318 3482 1 9 . 1 1 33 33 TRP CB C 30 29.500 29.500 27.418 2.082 18318 3483 1 9 . 1 1 33 33 TRP H H 30 7.820 7.820 7.848 -0.028 18318 3484 1 9 . 1 1 34 34 GLN N N 31 123.600 123.600 119.343 4.257 18318 3485 1 9 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.450 1.000 18318 3486 1 9 . 1 1 34 34 GLN C C 31 176.800 176.800 177.904 -1.104 18318 3487 1 9 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.135 2.765 18318 3488 1 9 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.336 -1.836 18318 3489 1 9 . 1 1 34 34 GLN H H 31 8.240 8.240 6.660 1.580 18318 3490 1 9 . 1 1 35 35 ARG N N 32 115.900 115.900 119.299 -3.399 18318 3491 1 9 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.045 0.235 18318 3492 1 9 . 1 1 35 35 ARG C C 32 178.900 178.900 178.484 0.416 18318 3493 1 9 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.536 -1.136 18318 3494 1 9 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.044 1.256 18318 3495 1 9 . 1 1 35 35 ARG H H 32 7.450 7.450 7.280 0.170 18318 3496 1 9 . 1 1 36 36 ASP N N 33 117.700 117.700 119.054 -1.354 18318 3497 1 9 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.512 -0.372 18318 3498 1 9 . 1 1 36 36 ASP C C 33 177.600 177.600 176.972 0.628 18318 3499 1 9 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.868 0.332 18318 3500 1 9 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.274 -0.374 18318 3501 1 9 . 1 1 36 36 ASP H H 33 8.760 8.760 8.453 0.307 18318 3502 1 9 . 1 1 37 37 CYS N N 34 113.300 113.300 115.638 -2.338 18318 3503 1 9 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.749 0.651 18318 3504 1 9 . 1 1 37 37 CYS C C 34 175.800 175.800 174.284 1.516 18318 3505 1 9 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.580 -3.480 18318 3506 1 9 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.668 13.832 18318 3507 1 9 . 1 1 37 37 CYS H H 34 8.260 8.260 7.673 0.587 18318 3508 1 9 . 1 1 38 38 HIS N N 35 124.200 124.200 124.901 -0.701 18318 3509 1 9 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.250 0.100 18318 3510 1 9 . 1 1 38 38 HIS C C 35 177.400 177.400 176.093 1.307 18318 3511 1 9 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.441 1.559 18318 3512 1 9 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.830 -0.230 18318 3513 1 9 . 1 1 38 38 HIS H H 35 7.520 7.520 8.482 -0.962 18318 3514 1 9 . 1 1 39 39 TYR N N 36 117.100 117.100 118.890 -1.790 18318 3515 1 9 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.300 0.000 18318 3516 1 9 . 1 1 39 39 TYR C C 36 177.700 177.700 177.686 0.014 18318 3517 1 9 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.847 -1.247 18318 3518 1 9 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.084 -1.884 18318 3519 1 9 . 1 1 39 39 TYR H H 36 8.930 8.930 8.759 0.171 18318 3520 1 9 . 1 1 40 40 LEU N N 37 122.000 122.000 118.554 3.446 18318 3521 1 9 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.133 0.037 18318 3522 1 9 . 1 1 40 40 LEU C C 37 179.400 179.400 179.171 0.229 18318 3523 1 9 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.736 -1.236 18318 3524 1 9 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.188 1.212 18318 3525 1 9 . 1 1 40 40 LEU H H 37 6.940 6.940 8.212 -1.272 18318 3526 1 9 . 1 1 41 41 LYS N N 38 125.300 125.300 119.919 5.381 18318 3527 1 9 . 1 1 41 41 LYS C C 38 179.600 179.600 179.448 0.152 18318 3528 1 9 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.158 0.442 18318 3529 1 9 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.083 -1.083 18318 3530 1 9 . 1 1 41 41 LYS H H 38 7.880 7.880 7.595 0.285 18318 3531 1 9 . 1 1 42 42 MET N N 39 117.600 117.600 118.647 -1.047 18318 3532 1 9 . 1 1 42 42 MET HA H 39 4.120 4.120 4.216 -0.096 18318 3533 1 9 . 1 1 42 42 MET C C 39 178.900 178.900 178.293 0.607 18318 3534 1 9 . 1 1 42 42 MET CA C 39 57.200 57.200 58.432 -1.232 18318 3535 1 9 . 1 1 42 42 MET CB C 39 30.000 30.000 32.532 -2.531 18318 3536 1 9 . 1 1 42 42 MET H H 39 8.090 8.090 7.622 0.468 18318 3537 1 9 . 1 1 43 43 SER N N 40 115.900 115.900 116.460 -0.560 18318 3538 1 9 . 1 1 43 43 SER HA H 40 4.290 4.290 4.311 -0.021 18318 3539 1 9 . 1 1 43 43 SER C C 40 177.400 177.400 176.462 0.938 18318 3540 1 9 . 1 1 43 43 SER CA C 40 61.700 61.700 61.625 0.075 18318 3541 1 9 . 1 1 43 43 SER CB C 40 62.500 62.500 63.616 -1.116 18318 3542 1 9 . 1 1 43 43 SER H H 40 7.600 7.600 8.338 -0.738 18318 3543 1 9 . 1 1 44 44 ILE N N 41 121.900 121.900 118.538 3.362 18318 3544 1 9 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.911 -0.371 18318 3545 1 9 . 1 1 44 44 ILE C C 41 177.500 177.500 177.169 0.331 18318 3546 1 9 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.686 2.414 18318 3547 1 9 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.206 0.694 18318 3548 1 9 . 1 1 44 44 ILE H H 41 7.540 7.540 8.171 -0.631 18318 3549 1 9 . 1 1 45 45 ALA N N 42 122.600 122.600 122.524 0.076 18318 3550 1 9 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.067 0.113 18318 3551 1 9 . 1 1 45 45 ALA C C 42 180.200 180.200 179.875 0.325 18318 3552 1 9 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.981 -0.181 18318 3553 1 9 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.428 -1.128 18318 3554 1 9 . 1 1 45 45 ALA H H 42 7.420 7.420 7.832 -0.412 18318 3555 1 9 . 1 1 46 46 GLN N N 43 118.400 118.400 117.841 0.559 18318 3556 1 9 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.086 -0.116 18318 3557 1 9 . 1 1 46 46 GLN C C 43 178.500 178.500 177.961 0.539 18318 3558 1 9 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.544 0.156 18318 3559 1 9 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.767 -0.967 18318 3560 1 9 . 1 1 46 46 GLN H H 43 8.290 8.290 7.901 0.389 18318 3561 1 9 . 1 1 47 47 CYS N N 44 119.500 119.500 118.771 0.729 18318 3562 1 9 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.121 -0.031 18318 3563 1 9 . 1 1 47 47 CYS C C 44 176.500 176.500 177.006 -0.506 18318 3564 1 9 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.197 -1.897 18318 3565 1 9 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.317 13.584 18318 3566 1 9 . 1 1 47 47 CYS H H 44 7.590 7.590 7.729 -0.139 18318 3567 1 9 . 1 1 48 48 THR N N 45 113.000 113.000 113.537 -0.537 18318 3568 1 9 . 1 1 48 48 THR C C 45 175.900 175.900 176.243 -0.343 18318 3569 1 9 . 1 1 48 48 THR CA C 45 65.400 65.400 64.749 0.651 18318 3570 1 9 . 1 1 48 48 THR CB C 45 68.800 68.800 67.916 0.884 18318 3571 1 9 . 1 1 48 48 THR H H 45 8.810 8.810 7.707 1.103 18318 3572 1 9 . 1 1 49 49 SER N N 46 113.200 113.200 117.098 -3.898 18318 3573 1 9 . 1 1 49 49 SER HA H 46 4.380 4.380 4.331 0.049 18318 3574 1 9 . 1 1 49 49 SER C C 46 175.600 175.600 176.098 -0.498 18318 3575 1 9 . 1 1 49 49 SER CA C 46 60.000 60.000 61.169 -1.169 18318 3576 1 9 . 1 1 49 49 SER CB C 46 63.900 63.900 62.945 0.955 18318 3577 1 9 . 1 1 49 49 SER H H 46 7.890 7.890 7.598 0.292 18318 3578 1 9 . 1 1 50 50 SER N N 47 114.100 114.100 115.894 -1.794 18318 3579 1 9 . 1 1 50 50 SER HA H 47 4.390 4.390 4.259 0.131 18318 3580 1 9 . 1 1 50 50 SER CA C 47 59.100 59.100 60.247 -1.147 18318 3581 1 9 . 1 1 50 50 SER CB C 47 64.800 64.800 63.122 1.678 18318 3582 1 9 . 1 1 50 50 SER H H 47 7.770 7.770 8.110 -0.340 18318 3583 1 9 . 1 1 55 55 ARG HA H 52 4.590 4.590 3.933 0.657 18318 3584 1 9 . 1 1 55 55 ARG C C 52 178.500 178.500 178.138 0.362 18318 3585 1 9 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.154 0.846 18318 3586 1 9 . 1 1 56 56 GLN N N 53 117.700 117.700 117.706 -0.006 18318 3587 1 9 . 1 1 56 56 GLN C C 53 175.000 175.000 177.779 -2.779 18318 3588 1 9 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.707 1.493 18318 3589 1 9 . 1 1 56 56 GLN H H 53 8.110 8.110 8.366 -0.256 18318 3590 1 9 . 1 1 57 57 ILE N N 54 121.200 121.200 117.609 3.591 18318 3591 1 9 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.864 -0.544 18318 3592 1 9 . 1 1 57 57 ILE C C 54 178.700 178.700 177.482 1.218 18318 3593 1 9 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.303 2.697 18318 3594 1 9 . 1 1 57 57 ILE CB C 54 37.700 37.700 38.039 -0.339 18318 3595 1 9 . 1 1 57 57 ILE H H 54 7.820 7.820 7.449 0.371 18318 3596 1 9 . 1 1 58 58 ARG N N 55 118.900 118.900 119.506 -0.606 18318 3597 1 9 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.336 -0.026 18318 3598 1 9 . 1 1 58 58 ARG C C 55 178.600 178.600 177.926 0.674 18318 3599 1 9 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.562 1.337 18318 3600 1 9 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.955 1.545 18318 3601 1 9 . 1 1 58 58 ARG H H 55 8.250 8.250 7.331 0.919 18318 3602 1 9 . 1 1 59 59 GLN N N 56 115.800 115.800 117.206 -1.406 18318 3603 1 9 . 1 1 59 59 GLN C C 56 178.100 178.100 176.656 1.444 18318 3604 1 9 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.285 -0.285 18318 3605 1 9 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.968 -0.168 18318 3606 1 9 . 1 1 59 59 GLN H H 56 7.920 7.920 7.867 0.053 18318 3607 1 9 . 1 1 60 60 ALA N N 57 121.600 121.600 120.479 1.121 18318 3608 1 9 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.300 -0.120 18318 3609 1 9 . 1 1 60 60 ALA C C 57 179.600 179.600 177.209 2.391 18318 3610 1 9 . 1 1 60 60 ALA CA C 57 54.500 54.500 52.884 1.616 18318 3611 1 9 . 1 1 60 60 ALA CB C 57 18.900 18.900 20.600 -1.700 18318 3612 1 9 . 1 1 60 60 ALA H H 57 8.490 8.490 7.588 0.902 18318 3613 1 9 . 1 1 61 61 CYS N N 58 114.000 114.000 118.931 -4.931 18318 3614 1 9 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.542 0.588 18318 3615 1 9 . 1 1 61 61 CYS C C 58 175.000 175.000 174.573 0.427 18318 3616 1 9 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.824 -7.123 18318 3617 1 9 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.447 15.353 18318 3618 1 9 . 1 1 61 61 CYS H H 58 8.370 8.370 7.920 0.450 18318 3619 1 9 . 1 1 62 62 ALA N N 59 124.900 124.900 128.891 -3.991 18318 3620 1 9 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.550 -0.280 18318 3621 1 9 . 1 1 62 62 ALA C C 59 179.200 179.200 178.336 0.864 18318 3622 1 9 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.925 2.575 18318 3623 1 9 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.545 -0.745 18318 3624 1 9 . 1 1 62 62 ALA H H 59 7.200 7.200 7.960 -0.760 18318 3625 1 9 . 1 1 63 63 GLN N N 60 115.800 115.800 120.182 -4.382 18318 3626 1 9 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.341 0.139 18318 3627 1 9 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.046 0.154 18318 3628 1 9 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.919 -2.219 18318 3629 1 9 . 1 1 63 63 GLN H H 60 9.040 9.040 8.830 0.210 18318 3630 1 9 . 1 1 64 64 PRO C C 61 179.700 179.700 177.587 2.113 18318 3631 1 9 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.174 0.426 18318 3632 1 9 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.086 -0.286 18318 3633 1 9 . 1 1 65 65 PHE N N 62 120.500 120.500 119.414 1.086 18318 3634 1 9 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.332 -0.052 18318 3635 1 9 . 1 1 65 65 PHE C C 62 176.400 176.400 176.682 -0.282 18318 3636 1 9 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.194 3.205 18318 3637 1 9 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.749 -0.149 18318 3638 1 9 . 1 1 65 65 PHE H H 62 8.500 8.500 8.107 0.393 18318 3639 1 9 . 1 1 66 66 GLU N N 63 120.200 120.200 119.518 0.682 18318 3640 1 9 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.536 0.494 18318 3641 1 9 . 1 1 66 66 GLU C C 63 179.300 179.300 178.633 0.667 18318 3642 1 9 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.220 -0.020 18318 3643 1 9 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.410 -0.910 18318 3644 1 9 . 1 1 66 66 GLU H H 63 8.900 8.900 8.319 0.581 18318 3645 1 9 . 1 1 67 67 ALA N N 64 120.600 120.600 122.451 -1.851 18318 3646 1 9 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.916 -0.046 18318 3647 1 9 . 1 1 67 67 ALA C C 64 180.500 180.500 179.474 1.026 18318 3648 1 9 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.825 -0.125 18318 3649 1 9 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.268 -0.168 18318 3650 1 9 . 1 1 67 67 ALA H H 64 8.150 8.150 7.155 0.995 18318 3651 1 9 . 1 1 68 68 PHE N N 65 120.000 120.000 117.474 2.526 18318 3652 1 9 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.131 0.189 18318 3653 1 9 . 1 1 68 68 PHE C C 65 175.400 175.400 178.060 -2.660 18318 3654 1 9 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.000 -0.200 18318 3655 1 9 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.778 0.222 18318 3656 1 9 . 1 1 68 68 PHE H H 65 7.810 7.810 7.013 0.797 18318 3657 1 9 . 1 1 69 69 GLU N N 66 119.400 119.400 118.521 0.879 18318 3658 1 9 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.885 0.285 18318 3659 1 9 . 1 1 69 69 GLU C C 66 178.800 178.800 178.736 0.064 18318 3660 1 9 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.233 0.967 18318 3661 1 9 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.147 -0.047 18318 3662 1 9 . 1 1 69 69 GLU H H 66 8.330 8.330 7.789 0.541 18318 3663 1 9 . 1 1 70 70 GLU N N 67 118.600 118.600 119.089 -0.489 18318 3664 1 9 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.166 -0.196 18318 3665 1 9 . 1 1 70 70 GLU C C 67 177.700 177.700 178.327 -0.627 18318 3666 1 9 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.663 0.137 18318 3667 1 9 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.811 -1.111 18318 3668 1 9 . 1 1 70 70 GLU H H 67 8.240 8.240 7.739 0.501 18318 3669 1 9 . 1 1 71 71 CYS N N 68 119.100 119.100 119.372 -0.272 18318 3670 1 9 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.222 -0.142 18318 3671 1 9 . 1 1 71 71 CYS C C 68 177.900 177.900 177.525 0.375 18318 3672 1 9 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.394 -2.794 18318 3673 1 9 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.402 12.598 18318 3674 1 9 . 1 1 71 71 CYS H H 68 7.580 7.580 7.975 -0.395 18318 3675 1 9 . 1 1 72 72 LEU N N 69 122.000 122.000 118.945 3.055 18318 3676 1 9 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.308 -0.608 18318 3677 1 9 . 1 1 72 72 LEU C C 69 179.300 179.300 178.805 0.495 18318 3678 1 9 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.428 0.172 18318 3679 1 9 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.723 -0.723 18318 3680 1 9 . 1 1 72 72 LEU H H 69 8.090 8.090 7.760 0.330 18318 3681 1 9 . 1 1 73 73 ARG N N 70 117.400 117.400 119.481 -2.081 18318 3682 1 9 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.979 0.031 18318 3683 1 9 . 1 1 73 73 ARG C C 70 178.500 178.500 178.027 0.473 18318 3684 1 9 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.934 -0.234 18318 3685 1 9 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.842 0.258 18318 3686 1 9 . 1 1 73 73 ARG H H 70 7.600 7.600 7.594 0.006 18318 3687 1 9 . 1 1 74 74 GLN N N 71 115.800 115.800 115.039 0.761 18318 3688 1 9 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.458 -0.168 18318 3689 1 9 . 1 1 74 74 GLN C C 71 176.200 176.200 175.942 0.258 18318 3690 1 9 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.215 0.185 18318 3691 1 9 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.963 -1.763 18318 3692 1 9 . 1 1 74 74 GLN H H 71 7.580 7.580 7.694 -0.114 18318 3693 1 9 . 1 1 75 75 ASN N N 72 118.600 118.600 117.217 1.383 18318 3694 1 9 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.016 -0.026 18318 3695 1 9 . 1 1 75 75 ASN C C 72 174.800 174.800 175.287 -0.487 18318 3696 1 9 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.793 0.207 18318 3697 1 9 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.866 0.934 18318 3698 1 9 . 1 1 75 75 ASN H H 72 7.750 7.750 8.165 -0.415 18318 3699 1 9 . 1 1 76 76 GLU N N 73 120.200 120.200 122.534 -2.334 18318 3700 1 9 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.958 0.002 18318 3701 1 9 . 1 1 76 76 GLU C C 73 176.800 176.800 176.900 -0.100 18318 3702 1 9 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.641 -0.440 18318 3703 1 9 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.795 -0.695 18318 3704 1 9 . 1 1 76 76 GLU H H 73 7.950 7.950 8.130 -0.180 18318 3705 1 9 . 1 1 77 77 ALA N N 74 119.200 119.200 118.641 0.559 18318 3706 1 9 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.450 -0.090 18318 3707 1 9 . 1 1 77 77 ALA C C 74 175.400 175.400 177.008 -1.608 18318 3708 1 9 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.942 0.158 18318 3709 1 9 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.328 -0.127 18318 3710 1 9 . 1 1 77 77 ALA H H 74 8.320 8.320 8.014 0.306 18318 3711 1 9 . 1 1 78 78 ALA N N 75 124.400 124.400 122.405 1.995 18318 3712 1 9 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.703 -0.323 18318 3713 1 9 . 1 1 78 78 ALA C C 75 177.200 177.200 178.117 -0.917 18318 3714 1 9 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.811 -0.411 18318 3715 1 9 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.536 -1.536 18318 3716 1 9 . 1 1 78 78 ALA H H 75 7.900 7.900 7.475 0.425 18318 3717 1 9 . 1 1 79 79 VAL N N 76 118.400 118.400 119.570 -1.170 18318 3718 1 9 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.365 -0.575 18318 3719 1 9 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.065 2.035 18318 3720 1 9 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.349 -0.049 18318 3721 1 9 . 1 1 79 79 VAL H H 76 8.100 8.100 8.249 -0.149 18318 3722 1 9 . 1 1 80 80 GLY C C 77 175.900 175.900 175.296 0.604 18318 3723 1 9 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.936 -0.536 18318 3724 1 9 . 1 1 81 81 ASN N N 78 119.300 119.300 116.872 2.428 18318 3725 1 9 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.929 -0.329 18318 3726 1 9 . 1 1 81 81 ASN C C 78 176.700 176.700 173.616 3.084 18318 3727 1 9 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.099 1.401 18318 3728 1 9 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.840 -2.540 18318 3729 1 9 . 1 1 81 81 ASN H H 78 8.200 8.200 7.978 0.222 18318 3730 1 9 . 1 1 82 82 CYS N N 79 117.200 117.200 118.500 -1.300 18318 3731 1 9 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.721 0.679 18318 3732 1 9 . 1 1 82 82 CYS C C 79 175.800 175.800 172.238 3.562 18318 3733 1 9 . 1 1 82 82 CYS CA C 79 53.500 53.500 59.258 -5.758 18318 3734 1 9 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.619 8.681 18318 3735 1 9 . 1 1 82 82 CYS H H 79 8.330 8.330 8.085 0.245 18318 3736 1 9 . 1 1 83 83 ALA N N 80 125.000 125.000 127.742 -2.742 18318 3737 1 9 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.718 -0.568 18318 3738 1 9 . 1 1 83 83 ALA C C 80 179.900 179.900 176.959 2.941 18318 3739 1 9 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.391 4.809 18318 3740 1 9 . 1 1 83 83 ALA CB C 80 18.200 18.200 21.344 -3.144 18318 3741 1 9 . 1 1 83 83 ALA H H 80 7.700 7.700 8.167 -0.467 18318 3742 1 9 . 1 1 84 84 GLU N N 81 118.900 118.900 125.303 -6.403 18318 3743 1 9 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.911 0.039 18318 3744 1 9 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.175 -0.175 18318 3745 1 9 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.617 -0.717 18318 3746 1 9 . 1 1 84 84 GLU H H 81 8.920 8.920 8.942 -0.022 18318 3747 1 9 . 1 1 85 85 HIS C C 82 178.500 178.500 177.322 1.178 18318 3748 1 9 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.804 -3.704 18318 3749 1 9 . 1 1 86 86 MET N N 83 118.800 118.800 117.506 1.294 18318 3750 1 9 . 1 1 86 86 MET C C 83 177.200 177.200 178.406 -1.206 18318 3751 1 9 . 1 1 86 86 MET CA C 83 58.900 58.900 59.062 -0.162 18318 3752 1 9 . 1 1 86 86 MET CB C 83 31.300 31.300 32.425 -1.125 18318 3753 1 9 . 1 1 86 86 MET H H 83 7.460 7.460 8.403 -0.943 18318 3754 1 9 . 1 1 87 87 ARG N N 84 119.500 119.500 117.610 1.890 18318 3755 1 9 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.056 -0.146 18318 3756 1 9 . 1 1 87 87 ARG C C 84 178.600 178.600 178.216 0.384 18318 3757 1 9 . 1 1 87 87 ARG CA C 84 59.900 59.900 57.709 2.191 18318 3758 1 9 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.138 0.362 18318 3759 1 9 . 1 1 87 87 ARG H H 84 8.220 8.220 7.464 0.756 18318 3760 1 9 . 1 1 88 88 ARG N N 85 117.900 117.900 120.589 -2.689 18318 3761 1 9 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.057 -0.137 18318 3762 1 9 . 1 1 88 88 ARG C C 85 179.700 179.700 178.775 0.925 18318 3763 1 9 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.069 -0.569 18318 3764 1 9 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.954 0.046 18318 3765 1 9 . 1 1 88 88 ARG H H 85 8.100 8.100 7.636 0.464 18318 3766 1 9 . 1 1 89 89 PHE N N 86 119.700 119.700 118.065 1.635 18318 3767 1 9 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.335 0.015 18318 3768 1 9 . 1 1 89 89 PHE C C 86 175.600 175.600 177.067 -1.467 18318 3769 1 9 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.496 0.604 18318 3770 1 9 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.370 -1.570 18318 3771 1 9 . 1 1 89 89 PHE H H 86 7.930 7.930 8.086 -0.156 18318 3772 1 9 . 1 1 90 90 LEU N N 87 120.400 120.400 119.711 0.689 18318 3773 1 9 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.189 -0.479 18318 3774 1 9 . 1 1 90 90 LEU C C 87 179.200 179.200 178.836 0.364 18318 3775 1 9 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.292 0.408 18318 3776 1 9 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.372 -1.072 18318 3777 1 9 . 1 1 90 90 LEU H H 87 8.640 8.640 7.384 1.256 18318 3778 1 9 . 1 1 91 91 GLN N N 88 118.200 118.200 119.229 -1.029 18318 3779 1 9 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.162 -0.122 18318 3780 1 9 . 1 1 91 91 GLN C C 88 178.000 178.000 178.764 -0.764 18318 3781 1 9 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.974 -0.274 18318 3782 1 9 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.459 -0.459 18318 3783 1 9 . 1 1 91 91 GLN H H 88 8.380 8.380 8.657 -0.277 18318 3784 1 9 . 1 1 92 92 CYS N N 89 119.000 119.000 117.018 1.982 18318 3785 1 9 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.153 -0.103 18318 3786 1 9 . 1 1 92 92 CYS C C 89 176.600 176.600 177.090 -0.490 18318 3787 1 9 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.965 -1.865 18318 3788 1 9 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.683 13.817 18318 3789 1 9 . 1 1 92 92 CYS H H 89 7.390 7.390 7.680 -0.290 18318 3790 1 9 . 1 1 93 93 ALA N N 90 122.900 122.900 122.568 0.332 18318 3791 1 9 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.105 -0.195 18318 3792 1 9 . 1 1 93 93 ALA C C 90 179.200 179.200 179.513 -0.313 18318 3793 1 9 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.833 -0.133 18318 3794 1 9 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.499 -0.699 18318 3795 1 9 . 1 1 93 93 ALA H H 90 8.410 8.410 7.533 0.877 18318 3796 1 9 . 1 1 94 94 GLU N N 91 115.800 115.800 119.147 -3.347 18318 3797 1 9 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.015 0.135 18318 3798 1 9 . 1 1 94 94 GLU C C 91 177.400 177.400 178.490 -1.090 18318 3799 1 9 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.345 -0.445 18318 3800 1 9 . 1 1 94 94 GLU CB C 91 29.400 29.400 28.948 0.452 18318 3801 1 9 . 1 1 94 94 GLU H H 91 7.880 7.880 8.183 -0.303 18318 3802 1 9 . 1 1 95 95 GLN N N 92 115.500 115.500 117.623 -2.123 18318 3803 1 9 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.169 0.121 18318 3804 1 9 . 1 1 95 95 GLN C C 92 176.600 176.600 176.561 0.039 18318 3805 1 9 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.508 -1.208 18318 3806 1 9 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.496 -0.596 18318 3807 1 9 . 1 1 95 95 GLN H H 92 7.450 7.450 8.003 -0.553 18318 3808 1 10 . 1 1 15 15 CYS N N 12 117.500 117.500 120.503 -3.003 18318 3809 1 10 . 1 1 15 15 CYS C C 12 175.500 175.500 175.837 -0.337 18318 3810 1 10 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.181 -4.481 18318 3811 1 10 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.755 6.945 18318 3812 1 10 . 1 1 15 15 CYS H H 12 8.280 8.280 8.992 -0.712 18318 3813 1 10 . 1 1 16 16 GLY N N 13 108.700 108.700 109.040 -0.340 18318 3814 1 10 . 1 1 16 16 GLY C C 13 176.600 176.600 175.498 1.102 18318 3815 1 10 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.327 1.573 18318 3816 1 10 . 1 1 16 16 GLY H H 13 8.080 8.080 8.624 -0.544 18318 3817 1 10 . 1 1 17 17 ARG N N 14 123.300 123.300 121.629 1.671 18318 3818 1 10 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.253 -0.293 18318 3819 1 10 . 1 1 17 17 ARG C C 14 179.300 179.300 177.925 1.375 18318 3820 1 10 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.026 1.174 18318 3821 1 10 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.000 0.100 18318 3822 1 10 . 1 1 17 17 ARG H H 14 8.630 8.630 8.602 0.028 18318 3823 1 10 . 1 1 18 18 GLU N N 15 121.900 121.900 119.923 1.977 18318 3824 1 10 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.135 0.035 18318 3825 1 10 . 1 1 18 18 GLU C C 15 177.900 177.900 178.271 -0.371 18318 3826 1 10 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.970 2.130 18318 3827 1 10 . 1 1 18 18 GLU CB C 15 28.200 28.200 28.194 0.006 18318 3828 1 10 . 1 1 18 18 GLU H H 15 9.670 9.670 8.437 1.233 18318 3829 1 10 . 1 1 19 19 LEU N N 16 119.400 119.400 120.488 -1.088 18318 3830 1 10 . 1 1 19 19 LEU CA C 16 59.900 59.900 56.908 2.992 18318 3831 1 10 . 1 1 19 19 LEU H H 16 8.090 8.090 7.632 0.458 18318 3832 1 10 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.048 -0.368 18318 3833 1 10 . 1 1 20 20 GLU C C 17 177.200 177.200 178.898 -1.698 18318 3834 1 10 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.271 0.029 18318 3835 1 10 . 1 1 20 20 GLU CB C 17 29.000 29.000 30.035 -1.035 18318 3836 1 10 . 1 1 21 21 GLN N N 18 118.500 118.500 119.417 -0.917 18318 3837 1 10 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.128 -0.088 18318 3838 1 10 . 1 1 21 21 GLN C C 18 177.200 177.200 178.198 -0.998 18318 3839 1 10 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.579 0.421 18318 3840 1 10 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.820 -0.120 18318 3841 1 10 . 1 1 21 21 GLN H H 18 8.560 8.560 8.275 0.285 18318 3842 1 10 . 1 1 22 22 TYR N N 19 120.700 120.700 120.042 0.658 18318 3843 1 10 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.553 -0.273 18318 3844 1 10 . 1 1 22 22 TYR C C 19 176.600 176.600 177.813 -1.213 18318 3845 1 10 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.209 1.891 18318 3846 1 10 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.382 0.518 18318 3847 1 10 . 1 1 22 22 TYR H H 19 8.120 8.120 7.957 0.163 18318 3848 1 10 . 1 1 23 23 GLY N N 20 105.600 105.600 107.036 -1.436 18318 3849 1 10 . 1 1 23 23 GLY C C 20 176.700 176.700 176.026 0.674 18318 3850 1 10 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.051 0.049 18318 3851 1 10 . 1 1 23 23 GLY H H 20 8.390 8.390 7.862 0.528 18318 3852 1 10 . 1 1 24 24 GLN N N 21 120.300 120.300 121.296 -0.996 18318 3853 1 10 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.067 -0.017 18318 3854 1 10 . 1 1 24 24 GLN C C 21 178.000 178.000 178.317 -0.317 18318 3855 1 10 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.310 -0.711 18318 3856 1 10 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.552 -0.952 18318 3857 1 10 . 1 1 24 24 GLN H H 21 8.130 8.130 7.707 0.423 18318 3858 1 10 . 1 1 25 25 CYS N N 22 121.500 121.500 118.980 2.520 18318 3859 1 10 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.481 -0.201 18318 3860 1 10 . 1 1 25 25 CYS C C 22 175.400 175.400 177.314 -1.914 18318 3861 1 10 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.604 -2.004 18318 3862 1 10 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.104 13.796 18318 3863 1 10 . 1 1 25 25 CYS H H 22 7.610 7.610 7.644 -0.034 18318 3864 1 10 . 1 1 26 26 VAL N N 23 119.900 119.900 120.272 -0.372 18318 3865 1 10 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.176 -0.386 18318 3866 1 10 . 1 1 26 26 VAL C C 23 177.100 177.100 177.239 -0.139 18318 3867 1 10 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.455 1.445 18318 3868 1 10 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.400 -2.100 18318 3869 1 10 . 1 1 26 26 VAL H H 23 8.040 8.040 7.490 0.550 18318 3870 1 10 . 1 1 27 27 ALA N N 24 117.400 117.400 121.820 -4.420 18318 3871 1 10 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.109 -0.009 18318 3872 1 10 . 1 1 27 27 ALA C C 24 178.600 178.600 179.077 -0.477 18318 3873 1 10 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.509 -0.409 18318 3874 1 10 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.766 -0.866 18318 3875 1 10 . 1 1 27 27 ALA H H 24 7.430 7.430 7.899 -0.469 18318 3876 1 10 . 1 1 28 28 ALA N N 25 116.100 116.100 121.013 -4.913 18318 3877 1 10 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.164 0.166 18318 3878 1 10 . 1 1 28 28 ALA C C 25 178.100 178.100 178.056 0.044 18318 3879 1 10 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.894 -1.294 18318 3880 1 10 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.562 -0.462 18318 3881 1 10 . 1 1 28 28 ALA H H 25 7.120 7.120 7.749 -0.629 18318 3882 1 10 . 1 1 29 29 LYS N N 26 119.200 119.200 113.872 5.328 18318 3883 1 10 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.743 4.957 18318 3884 1 10 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.726 -2.626 18318 3885 1 10 . 1 1 29 29 LYS H H 26 7.560 7.560 7.412 0.148 18318 3886 1 10 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.331 -0.121 18318 3887 1 10 . 1 1 30 30 PRO C C 27 177.000 177.000 178.132 -1.132 18318 3888 1 10 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.469 0.431 18318 3889 1 10 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.002 -0.402 18318 3890 1 10 . 1 1 31 31 GLU N N 28 114.600 114.600 118.519 -3.919 18318 3891 1 10 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.690 -0.240 18318 3892 1 10 . 1 1 31 31 GLU C C 28 176.100 176.100 178.764 -2.664 18318 3893 1 10 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.395 -1.195 18318 3894 1 10 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.352 1.248 18318 3895 1 10 . 1 1 31 31 GLU H H 28 8.770 8.770 8.935 -0.165 18318 3896 1 10 . 1 1 32 32 SER N N 29 111.000 111.000 114.744 -3.744 18318 3897 1 10 . 1 1 32 32 SER HA H 29 4.510 4.510 4.259 0.251 18318 3898 1 10 . 1 1 32 32 SER C C 29 176.600 176.600 176.032 0.568 18318 3899 1 10 . 1 1 32 32 SER CA C 29 58.500 58.500 60.959 -2.458 18318 3900 1 10 . 1 1 32 32 SER CB C 29 63.800 63.800 62.566 1.234 18318 3901 1 10 . 1 1 32 32 SER H H 29 7.750 7.750 8.461 -0.711 18318 3902 1 10 . 1 1 33 33 TRP N N 30 125.000 125.000 121.105 3.895 18318 3903 1 10 . 1 1 33 33 TRP C C 30 177.200 177.200 177.615 -0.415 18318 3904 1 10 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.750 0.250 18318 3905 1 10 . 1 1 33 33 TRP CB C 30 29.500 29.500 27.387 2.113 18318 3906 1 10 . 1 1 33 33 TRP H H 30 7.820 7.820 7.728 0.092 18318 3907 1 10 . 1 1 34 34 GLN N N 31 123.600 123.600 117.748 5.852 18318 3908 1 10 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.461 0.989 18318 3909 1 10 . 1 1 34 34 GLN C C 31 176.800 176.800 176.952 -0.152 18318 3910 1 10 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.033 2.866 18318 3911 1 10 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.435 -1.935 18318 3912 1 10 . 1 1 34 34 GLN H H 31 8.240 8.240 6.569 1.671 18318 3913 1 10 . 1 1 35 35 ARG N N 32 115.900 115.900 118.123 -2.223 18318 3914 1 10 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.926 0.354 18318 3915 1 10 . 1 1 35 35 ARG C C 32 178.900 178.900 178.315 0.585 18318 3916 1 10 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.802 -1.402 18318 3917 1 10 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.342 0.958 18318 3918 1 10 . 1 1 35 35 ARG H H 32 7.450 7.450 7.134 0.316 18318 3919 1 10 . 1 1 36 36 ASP N N 33 117.700 117.700 118.799 -1.099 18318 3920 1 10 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.469 -0.329 18318 3921 1 10 . 1 1 36 36 ASP C C 33 177.600 177.600 176.883 0.717 18318 3922 1 10 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.254 0.946 18318 3923 1 10 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.079 -0.179 18318 3924 1 10 . 1 1 36 36 ASP H H 33 8.760 8.760 8.322 0.438 18318 3925 1 10 . 1 1 37 37 CYS N N 34 113.300 113.300 115.481 -2.181 18318 3926 1 10 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.536 0.864 18318 3927 1 10 . 1 1 37 37 CYS C C 34 175.800 175.800 174.157 1.643 18318 3928 1 10 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.648 -3.548 18318 3929 1 10 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.867 13.633 18318 3930 1 10 . 1 1 37 37 CYS H H 34 8.260 8.260 7.572 0.688 18318 3931 1 10 . 1 1 38 38 HIS N N 35 124.200 124.200 124.055 0.145 18318 3932 1 10 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.182 0.168 18318 3933 1 10 . 1 1 38 38 HIS C C 35 177.400 177.400 176.359 1.041 18318 3934 1 10 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.632 2.368 18318 3935 1 10 . 1 1 38 38 HIS CB C 35 30.600 30.600 31.038 -0.438 18318 3936 1 10 . 1 1 38 38 HIS H H 35 7.520 7.520 8.228 -0.708 18318 3937 1 10 . 1 1 39 39 TYR N N 36 117.100 117.100 115.773 1.327 18318 3938 1 10 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.438 -0.138 18318 3939 1 10 . 1 1 39 39 TYR C C 36 177.700 177.700 176.895 0.805 18318 3940 1 10 . 1 1 39 39 TYR CA C 36 60.600 60.600 58.818 1.782 18318 3941 1 10 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.417 -1.217 18318 3942 1 10 . 1 1 39 39 TYR H H 36 8.930 8.930 7.933 0.997 18318 3943 1 10 . 1 1 40 40 LEU N N 37 122.000 122.000 119.608 2.392 18318 3944 1 10 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.225 -0.055 18318 3945 1 10 . 1 1 40 40 LEU C C 37 179.400 179.400 178.915 0.485 18318 3946 1 10 . 1 1 40 40 LEU CA C 37 56.500 56.500 56.674 -0.174 18318 3947 1 10 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.606 0.794 18318 3948 1 10 . 1 1 40 40 LEU H H 37 6.940 6.940 7.406 -0.466 18318 3949 1 10 . 1 1 41 41 LYS N N 38 125.300 125.300 120.385 4.915 18318 3950 1 10 . 1 1 41 41 LYS C C 38 179.600 179.600 178.446 1.154 18318 3951 1 10 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.964 0.636 18318 3952 1 10 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.260 -1.260 18318 3953 1 10 . 1 1 41 41 LYS H H 38 7.880 7.880 7.649 0.231 18318 3954 1 10 . 1 1 42 42 MET N N 39 117.600 117.600 118.063 -0.463 18318 3955 1 10 . 1 1 42 42 MET HA H 39 4.120 4.120 4.300 -0.180 18318 3956 1 10 . 1 1 42 42 MET C C 39 178.900 178.900 178.140 0.760 18318 3957 1 10 . 1 1 42 42 MET CA C 39 57.200 57.200 58.164 -0.964 18318 3958 1 10 . 1 1 42 42 MET CB C 39 30.000 30.000 32.722 -2.722 18318 3959 1 10 . 1 1 42 42 MET H H 39 8.090 8.090 7.653 0.437 18318 3960 1 10 . 1 1 43 43 SER N N 40 115.900 115.900 115.781 0.119 18318 3961 1 10 . 1 1 43 43 SER HA H 40 4.290 4.290 4.433 -0.143 18318 3962 1 10 . 1 1 43 43 SER C C 40 177.400 177.400 176.446 0.954 18318 3963 1 10 . 1 1 43 43 SER CA C 40 61.700 61.700 61.435 0.265 18318 3964 1 10 . 1 1 43 43 SER CB C 40 62.500 62.500 63.179 -0.679 18318 3965 1 10 . 1 1 43 43 SER H H 40 7.600 7.600 7.686 -0.086 18318 3966 1 10 . 1 1 44 44 ILE N N 41 121.900 121.900 117.811 4.089 18318 3967 1 10 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.038 -0.498 18318 3968 1 10 . 1 1 44 44 ILE C C 41 177.500 177.500 177.404 0.096 18318 3969 1 10 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.663 2.438 18318 3970 1 10 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.314 0.586 18318 3971 1 10 . 1 1 44 44 ILE H H 41 7.540 7.540 7.585 -0.045 18318 3972 1 10 . 1 1 45 45 ALA N N 42 122.600 122.600 121.143 1.457 18318 3973 1 10 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.100 0.080 18318 3974 1 10 . 1 1 45 45 ALA C C 42 180.200 180.200 179.316 0.884 18318 3975 1 10 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.137 0.663 18318 3976 1 10 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.386 -1.086 18318 3977 1 10 . 1 1 45 45 ALA H H 42 7.420 7.420 7.546 -0.126 18318 3978 1 10 . 1 1 46 46 GLN N N 43 118.400 118.400 118.781 -0.381 18318 3979 1 10 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.047 -0.077 18318 3980 1 10 . 1 1 46 46 GLN C C 43 178.500 178.500 178.501 -0.001 18318 3981 1 10 . 1 1 46 46 GLN CA C 43 58.700 58.700 59.206 -0.506 18318 3982 1 10 . 1 1 46 46 GLN CB C 43 27.800 27.800 29.057 -1.257 18318 3983 1 10 . 1 1 46 46 GLN H H 43 8.290 8.290 7.957 0.333 18318 3984 1 10 . 1 1 47 47 CYS N N 44 119.500 119.500 116.059 3.441 18318 3985 1 10 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.370 -0.280 18318 3986 1 10 . 1 1 47 47 CYS C C 44 176.500 176.500 176.242 0.258 18318 3987 1 10 . 1 1 47 47 CYS CA C 44 60.300 60.300 60.769 -0.469 18318 3988 1 10 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.052 13.848 18318 3989 1 10 . 1 1 47 47 CYS H H 44 7.590 7.590 7.778 -0.188 18318 3990 1 10 . 1 1 48 48 THR N N 45 113.000 113.000 114.403 -1.403 18318 3991 1 10 . 1 1 48 48 THR C C 45 175.900 175.900 175.664 0.236 18318 3992 1 10 . 1 1 48 48 THR CA C 45 65.400 65.400 64.383 1.017 18318 3993 1 10 . 1 1 48 48 THR CB C 45 68.800 68.800 68.109 0.691 18318 3994 1 10 . 1 1 48 48 THR H H 45 8.810 8.810 7.638 1.172 18318 3995 1 10 . 1 1 49 49 SER N N 46 113.200 113.200 116.641 -3.441 18318 3996 1 10 . 1 1 49 49 SER HA H 46 4.380 4.380 4.217 0.163 18318 3997 1 10 . 1 1 49 49 SER C C 46 175.600 175.600 175.180 0.420 18318 3998 1 10 . 1 1 49 49 SER CA C 46 60.000 60.000 61.027 -1.027 18318 3999 1 10 . 1 1 49 49 SER CB C 46 63.900 63.900 63.443 0.457 18318 4000 1 10 . 1 1 49 49 SER H H 46 7.890 7.890 7.970 -0.080 18318 4001 1 10 . 1 1 50 50 SER N N 47 114.100 114.100 112.826 1.274 18318 4002 1 10 . 1 1 50 50 SER HA H 47 4.390 4.390 4.595 -0.205 18318 4003 1 10 . 1 1 50 50 SER CA C 47 59.100 59.100 59.093 0.007 18318 4004 1 10 . 1 1 50 50 SER CB C 47 64.800 64.800 65.105 -0.305 18318 4005 1 10 . 1 1 50 50 SER H H 47 7.770 7.770 7.970 -0.200 18318 4006 1 10 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.152 0.438 18318 4007 1 10 . 1 1 55 55 ARG C C 52 178.500 178.500 178.021 0.479 18318 4008 1 10 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.577 1.423 18318 4009 1 10 . 1 1 56 56 GLN N N 53 117.700 117.700 117.082 0.618 18318 4010 1 10 . 1 1 56 56 GLN C C 53 175.000 175.000 178.318 -3.318 18318 4011 1 10 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.766 1.434 18318 4012 1 10 . 1 1 56 56 GLN H H 53 8.110 8.110 8.650 -0.540 18318 4013 1 10 . 1 1 57 57 ILE N N 54 121.200 121.200 115.114 6.086 18318 4014 1 10 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.872 -0.552 18318 4015 1 10 . 1 1 57 57 ILE C C 54 178.700 178.700 177.925 0.775 18318 4016 1 10 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.809 2.191 18318 4017 1 10 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.363 0.337 18318 4018 1 10 . 1 1 57 57 ILE H H 54 7.820 7.820 7.998 -0.178 18318 4019 1 10 . 1 1 58 58 ARG N N 55 118.900 118.900 119.839 -0.939 18318 4020 1 10 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.029 0.281 18318 4021 1 10 . 1 1 58 58 ARG C C 55 178.600 178.600 178.166 0.434 18318 4022 1 10 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.635 1.265 18318 4023 1 10 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.957 1.543 18318 4024 1 10 . 1 1 58 58 ARG H H 55 8.250 8.250 7.515 0.735 18318 4025 1 10 . 1 1 59 59 GLN N N 56 115.800 115.800 119.418 -3.618 18318 4026 1 10 . 1 1 59 59 GLN C C 56 178.100 178.100 177.019 1.081 18318 4027 1 10 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.197 -0.197 18318 4028 1 10 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.302 0.498 18318 4029 1 10 . 1 1 59 59 GLN H H 56 7.920 7.920 7.856 0.064 18318 4030 1 10 . 1 1 60 60 ALA N N 57 121.600 121.600 121.434 0.166 18318 4031 1 10 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.035 0.145 18318 4032 1 10 . 1 1 60 60 ALA C C 57 179.600 179.600 177.833 1.767 18318 4033 1 10 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.353 1.147 18318 4034 1 10 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.049 -0.149 18318 4035 1 10 . 1 1 60 60 ALA H H 57 8.490 8.490 7.622 0.868 18318 4036 1 10 . 1 1 61 61 CYS N N 58 114.000 114.000 117.575 -3.575 18318 4037 1 10 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.206 0.924 18318 4038 1 10 . 1 1 61 61 CYS C C 58 175.000 175.000 174.631 0.369 18318 4039 1 10 . 1 1 61 61 CYS CA C 58 52.700 52.700 60.932 -8.232 18318 4040 1 10 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.835 14.965 18318 4041 1 10 . 1 1 61 61 CYS H H 58 8.370 8.370 7.691 0.679 18318 4042 1 10 . 1 1 62 62 ALA N N 59 124.900 124.900 128.359 -3.459 18318 4043 1 10 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.527 -0.257 18318 4044 1 10 . 1 1 62 62 ALA C C 59 179.200 179.200 178.902 0.298 18318 4045 1 10 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.205 3.296 18318 4046 1 10 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.900 -1.100 18318 4047 1 10 . 1 1 62 62 ALA H H 59 7.200 7.200 8.221 -1.021 18318 4048 1 10 . 1 1 63 63 GLN N N 60 115.800 115.800 119.506 -3.706 18318 4049 1 10 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.076 0.404 18318 4050 1 10 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.032 0.168 18318 4051 1 10 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.945 -2.245 18318 4052 1 10 . 1 1 63 63 GLN H H 60 9.040 9.040 8.780 0.260 18318 4053 1 10 . 1 1 64 64 PRO C C 61 179.700 179.700 177.821 1.879 18318 4054 1 10 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.584 0.016 18318 4055 1 10 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.012 -0.212 18318 4056 1 10 . 1 1 65 65 PHE N N 62 120.500 120.500 118.757 1.743 18318 4057 1 10 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.330 -0.050 18318 4058 1 10 . 1 1 65 65 PHE C C 62 176.400 176.400 176.627 -0.227 18318 4059 1 10 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.468 1.932 18318 4060 1 10 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.150 -0.550 18318 4061 1 10 . 1 1 65 65 PHE H H 62 8.500 8.500 8.030 0.470 18318 4062 1 10 . 1 1 66 66 GLU N N 63 120.200 120.200 120.740 -0.540 18318 4063 1 10 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.770 0.260 18318 4064 1 10 . 1 1 66 66 GLU C C 63 179.300 179.300 177.879 1.421 18318 4065 1 10 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.548 -0.348 18318 4066 1 10 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.616 -1.116 18318 4067 1 10 . 1 1 66 66 GLU H H 63 8.900 8.900 8.373 0.527 18318 4068 1 10 . 1 1 67 67 ALA N N 64 120.600 120.600 122.134 -1.534 18318 4069 1 10 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.889 -0.019 18318 4070 1 10 . 1 1 67 67 ALA C C 64 180.500 180.500 179.786 0.714 18318 4071 1 10 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.886 -0.186 18318 4072 1 10 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.985 0.115 18318 4073 1 10 . 1 1 67 67 ALA H H 64 8.150 8.150 7.242 0.908 18318 4074 1 10 . 1 1 68 68 PHE N N 65 120.000 120.000 116.412 3.588 18318 4075 1 10 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.135 0.185 18318 4076 1 10 . 1 1 68 68 PHE C C 65 175.400 175.400 177.593 -2.193 18318 4077 1 10 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.398 0.402 18318 4078 1 10 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.751 0.249 18318 4079 1 10 . 1 1 68 68 PHE H H 65 7.810 7.810 6.852 0.958 18318 4080 1 10 . 1 1 69 69 GLU N N 66 119.400 119.400 120.764 -1.364 18318 4081 1 10 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.968 0.202 18318 4082 1 10 . 1 1 69 69 GLU C C 66 178.800 178.800 179.148 -0.348 18318 4083 1 10 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.361 0.839 18318 4084 1 10 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.025 0.075 18318 4085 1 10 . 1 1 69 69 GLU H H 66 8.330 8.330 7.840 0.490 18318 4086 1 10 . 1 1 70 70 GLU N N 67 118.600 118.600 118.814 -0.214 18318 4087 1 10 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.106 -0.136 18318 4088 1 10 . 1 1 70 70 GLU C C 67 177.700 177.700 178.601 -0.901 18318 4089 1 10 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.902 -0.102 18318 4090 1 10 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.655 -0.955 18318 4091 1 10 . 1 1 70 70 GLU H H 67 8.240 8.240 8.208 0.032 18318 4092 1 10 . 1 1 71 71 CYS N N 68 119.100 119.100 118.837 0.263 18318 4093 1 10 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.153 -0.073 18318 4094 1 10 . 1 1 71 71 CYS C C 68 177.900 177.900 177.402 0.498 18318 4095 1 10 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.313 -2.713 18318 4096 1 10 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.410 12.590 18318 4097 1 10 . 1 1 71 71 CYS H H 68 7.580 7.580 7.775 -0.195 18318 4098 1 10 . 1 1 72 72 LEU N N 69 122.000 122.000 118.588 3.412 18318 4099 1 10 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.274 -0.574 18318 4100 1 10 . 1 1 72 72 LEU C C 69 179.300 179.300 178.958 0.342 18318 4101 1 10 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.399 0.201 18318 4102 1 10 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.536 -0.536 18318 4103 1 10 . 1 1 72 72 LEU H H 69 8.090 8.090 7.746 0.344 18318 4104 1 10 . 1 1 73 73 ARG N N 70 117.400 117.400 119.282 -1.882 18318 4105 1 10 . 1 1 73 73 ARG HA H 70 4.010 4.010 4.005 0.005 18318 4106 1 10 . 1 1 73 73 ARG C C 70 178.500 178.500 178.035 0.465 18318 4107 1 10 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.504 0.196 18318 4108 1 10 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.135 -0.035 18318 4109 1 10 . 1 1 73 73 ARG H H 70 7.600 7.600 7.700 -0.100 18318 4110 1 10 . 1 1 74 74 GLN N N 71 115.800 115.800 115.259 0.541 18318 4111 1 10 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.453 -0.163 18318 4112 1 10 . 1 1 74 74 GLN C C 71 176.200 176.200 175.783 0.417 18318 4113 1 10 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.539 -0.139 18318 4114 1 10 . 1 1 74 74 GLN CB C 71 29.200 29.200 29.799 -0.598 18318 4115 1 10 . 1 1 74 74 GLN H H 71 7.580 7.580 7.759 -0.179 18318 4116 1 10 . 1 1 75 75 ASN N N 72 118.600 118.600 118.122 0.478 18318 4117 1 10 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.860 0.130 18318 4118 1 10 . 1 1 75 75 ASN C C 72 174.800 174.800 174.653 0.147 18318 4119 1 10 . 1 1 75 75 ASN CA C 72 53.000 53.000 53.043 -0.043 18318 4120 1 10 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.102 0.698 18318 4121 1 10 . 1 1 75 75 ASN H H 72 7.750 7.750 7.762 -0.012 18318 4122 1 10 . 1 1 76 76 GLU N N 73 120.200 120.200 122.831 -2.631 18318 4123 1 10 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.961 -0.001 18318 4124 1 10 . 1 1 76 76 GLU C C 73 176.800 176.800 176.580 0.220 18318 4125 1 10 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.327 -0.127 18318 4126 1 10 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.747 -0.647 18318 4127 1 10 . 1 1 76 76 GLU H H 73 7.950 7.950 8.138 -0.188 18318 4128 1 10 . 1 1 77 77 ALA N N 74 119.200 119.200 119.374 -0.174 18318 4129 1 10 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.429 -0.069 18318 4130 1 10 . 1 1 77 77 ALA C C 74 175.400 175.400 177.038 -1.638 18318 4131 1 10 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.878 0.222 18318 4132 1 10 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.229 -0.029 18318 4133 1 10 . 1 1 77 77 ALA H H 74 8.320 8.320 8.015 0.305 18318 4134 1 10 . 1 1 78 78 ALA N N 75 124.400 124.400 122.248 2.152 18318 4135 1 10 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.692 -0.312 18318 4136 1 10 . 1 1 78 78 ALA C C 75 177.200 177.200 178.174 -0.974 18318 4137 1 10 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.725 -0.325 18318 4138 1 10 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.546 -1.546 18318 4139 1 10 . 1 1 78 78 ALA H H 75 7.900 7.900 7.494 0.406 18318 4140 1 10 . 1 1 79 79 VAL N N 76 118.400 118.400 118.960 -0.560 18318 4141 1 10 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.281 -0.491 18318 4142 1 10 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.932 1.167 18318 4143 1 10 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.171 0.129 18318 4144 1 10 . 1 1 79 79 VAL H H 76 8.100 8.100 8.201 -0.101 18318 4145 1 10 . 1 1 80 80 GLY C C 77 175.900 175.900 175.570 0.330 18318 4146 1 10 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.233 0.167 18318 4147 1 10 . 1 1 81 81 ASN N N 78 119.300 119.300 117.714 1.586 18318 4148 1 10 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.856 -0.256 18318 4149 1 10 . 1 1 81 81 ASN C C 78 176.700 176.700 175.202 1.498 18318 4150 1 10 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.909 0.591 18318 4151 1 10 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.614 -3.314 18318 4152 1 10 . 1 1 81 81 ASN H H 78 8.200 8.200 7.824 0.376 18318 4153 1 10 . 1 1 82 82 CYS N N 79 117.200 117.200 115.928 1.272 18318 4154 1 10 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.811 0.589 18318 4155 1 10 . 1 1 82 82 CYS C C 79 175.800 175.800 172.735 3.065 18318 4156 1 10 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.103 -2.603 18318 4157 1 10 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.654 8.646 18318 4158 1 10 . 1 1 82 82 CYS H H 79 8.330 8.330 7.562 0.768 18318 4159 1 10 . 1 1 83 83 ALA N N 80 125.000 125.000 124.688 0.312 18318 4160 1 10 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.699 -0.549 18318 4161 1 10 . 1 1 83 83 ALA C C 80 179.900 179.900 177.466 2.434 18318 4162 1 10 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.577 5.623 18318 4163 1 10 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.406 -1.206 18318 4164 1 10 . 1 1 83 83 ALA H H 80 7.700 7.700 8.496 -0.796 18318 4165 1 10 . 1 1 84 84 GLU N N 81 118.900 118.900 126.568 -7.668 18318 4166 1 10 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.691 0.259 18318 4167 1 10 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.361 -0.361 18318 4168 1 10 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.397 -0.497 18318 4169 1 10 . 1 1 84 84 GLU H H 81 8.920 8.920 8.974 -0.054 18318 4170 1 10 . 1 1 85 85 HIS C C 82 178.500 178.500 177.223 1.277 18318 4171 1 10 . 1 1 85 85 HIS CA C 82 56.100 56.100 60.270 -4.170 18318 4172 1 10 . 1 1 86 86 MET N N 83 118.800 118.800 117.431 1.369 18318 4173 1 10 . 1 1 86 86 MET C C 83 177.200 177.200 178.570 -1.370 18318 4174 1 10 . 1 1 86 86 MET CA C 83 58.900 58.900 58.001 0.900 18318 4175 1 10 . 1 1 86 86 MET CB C 83 31.300 31.300 32.657 -1.357 18318 4176 1 10 . 1 1 86 86 MET H H 83 7.460 7.460 8.262 -0.802 18318 4177 1 10 . 1 1 87 87 ARG N N 84 119.500 119.500 118.948 0.552 18318 4178 1 10 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.886 0.024 18318 4179 1 10 . 1 1 87 87 ARG C C 84 178.600 178.600 178.096 0.504 18318 4180 1 10 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.304 1.595 18318 4181 1 10 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.772 0.728 18318 4182 1 10 . 1 1 87 87 ARG H H 84 8.220 8.220 8.300 -0.080 18318 4183 1 10 . 1 1 88 88 ARG N N 85 117.900 117.900 120.132 -2.232 18318 4184 1 10 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.222 -0.302 18318 4185 1 10 . 1 1 88 88 ARG C C 85 179.700 179.700 178.838 0.862 18318 4186 1 10 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.779 -0.279 18318 4187 1 10 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.159 -0.159 18318 4188 1 10 . 1 1 88 88 ARG H H 85 8.100 8.100 8.045 0.055 18318 4189 1 10 . 1 1 89 89 PHE N N 86 119.700 119.700 118.007 1.693 18318 4190 1 10 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.320 0.030 18318 4191 1 10 . 1 1 89 89 PHE C C 86 175.600 175.600 177.712 -2.112 18318 4192 1 10 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.724 0.376 18318 4193 1 10 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.930 -1.130 18318 4194 1 10 . 1 1 89 89 PHE H H 86 7.930 7.930 7.620 0.310 18318 4195 1 10 . 1 1 90 90 LEU N N 87 120.400 120.400 120.920 -0.520 18318 4196 1 10 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.000 -0.290 18318 4197 1 10 . 1 1 90 90 LEU C C 87 179.200 179.200 178.366 0.834 18318 4198 1 10 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.217 -0.517 18318 4199 1 10 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.723 -1.423 18318 4200 1 10 . 1 1 90 90 LEU H H 87 8.640 8.640 7.478 1.162 18318 4201 1 10 . 1 1 91 91 GLN N N 88 118.200 118.200 119.035 -0.835 18318 4202 1 10 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.017 0.023 18318 4203 1 10 . 1 1 91 91 GLN C C 88 178.000 178.000 178.749 -0.749 18318 4204 1 10 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.534 -0.834 18318 4205 1 10 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.412 -0.412 18318 4206 1 10 . 1 1 91 91 GLN H H 88 8.380 8.380 8.612 -0.232 18318 4207 1 10 . 1 1 92 92 CYS N N 89 119.000 119.000 117.041 1.959 18318 4208 1 10 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.199 -0.149 18318 4209 1 10 . 1 1 92 92 CYS C C 89 176.600 176.600 177.268 -0.668 18318 4210 1 10 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.989 -1.889 18318 4211 1 10 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.761 13.739 18318 4212 1 10 . 1 1 92 92 CYS H H 89 7.390 7.390 8.006 -0.616 18318 4213 1 10 . 1 1 93 93 ALA N N 90 122.900 122.900 122.286 0.614 18318 4214 1 10 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.044 -0.134 18318 4215 1 10 . 1 1 93 93 ALA C C 90 179.200 179.200 179.810 -0.610 18318 4216 1 10 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.737 -0.037 18318 4217 1 10 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.421 -0.621 18318 4218 1 10 . 1 1 93 93 ALA H H 90 8.410 8.410 7.152 1.258 18318 4219 1 10 . 1 1 94 94 GLU N N 91 115.800 115.800 119.170 -3.370 18318 4220 1 10 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.022 0.128 18318 4221 1 10 . 1 1 94 94 GLU C C 91 177.400 177.400 178.581 -1.181 18318 4222 1 10 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.481 -0.581 18318 4223 1 10 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.710 -0.310 18318 4224 1 10 . 1 1 94 94 GLU H H 91 7.880 7.880 8.307 -0.427 18318 4225 1 10 . 1 1 95 95 GLN N N 92 115.500 115.500 117.893 -2.393 18318 4226 1 10 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.082 0.208 18318 4227 1 10 . 1 1 95 95 GLN C C 92 176.600 176.600 175.945 0.655 18318 4228 1 10 . 1 1 95 95 GLN CA C 92 56.300 56.300 58.200 -1.900 18318 4229 1 10 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.241 -0.341 18318 4230 1 10 . 1 1 95 95 GLN H H 92 7.450 7.450 8.070 -0.620 18318 4231 1 11 . 1 1 15 15 CYS N N 12 117.500 117.500 121.442 -3.942 18318 4232 1 11 . 1 1 15 15 CYS C C 12 175.500 175.500 173.386 2.114 18318 4233 1 11 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.921 -5.221 18318 4234 1 11 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.067 6.633 18318 4235 1 11 . 1 1 15 15 CYS H H 12 8.280 8.280 8.162 0.118 18318 4236 1 11 . 1 1 16 16 GLY N N 13 108.700 108.700 109.246 -0.546 18318 4237 1 11 . 1 1 16 16 GLY C C 13 176.600 176.600 175.498 1.102 18318 4238 1 11 . 1 1 16 16 GLY CA C 13 47.900 47.900 45.964 1.936 18318 4239 1 11 . 1 1 16 16 GLY H H 13 8.080 8.080 8.762 -0.682 18318 4240 1 11 . 1 1 17 17 ARG N N 14 123.300 123.300 122.786 0.514 18318 4241 1 11 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.259 -0.299 18318 4242 1 11 . 1 1 17 17 ARG C C 14 179.300 179.300 177.454 1.846 18318 4243 1 11 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.203 0.997 18318 4244 1 11 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.832 0.268 18318 4245 1 11 . 1 1 17 17 ARG H H 14 8.630 8.630 8.722 -0.092 18318 4246 1 11 . 1 1 18 18 GLU N N 15 121.900 121.900 119.344 2.556 18318 4247 1 11 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.167 0.003 18318 4248 1 11 . 1 1 18 18 GLU C C 15 177.900 177.900 178.468 -0.568 18318 4249 1 11 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.883 2.217 18318 4250 1 11 . 1 1 18 18 GLU CB C 15 28.200 28.200 28.510 -0.310 18318 4251 1 11 . 1 1 18 18 GLU H H 15 9.670 9.670 8.351 1.319 18318 4252 1 11 . 1 1 19 19 LEU N N 16 119.400 119.400 120.425 -1.025 18318 4253 1 11 . 1 1 19 19 LEU CA C 16 59.900 59.900 56.925 2.975 18318 4254 1 11 . 1 1 19 19 LEU H H 16 8.090 8.090 8.129 -0.039 18318 4255 1 11 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.947 -0.267 18318 4256 1 11 . 1 1 20 20 GLU C C 17 177.200 177.200 179.349 -2.149 18318 4257 1 11 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.634 -0.334 18318 4258 1 11 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.631 -0.631 18318 4259 1 11 . 1 1 21 21 GLN N N 18 118.500 118.500 118.632 -0.132 18318 4260 1 11 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.139 -0.099 18318 4261 1 11 . 1 1 21 21 GLN C C 18 177.200 177.200 178.112 -0.912 18318 4262 1 11 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.425 0.575 18318 4263 1 11 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.612 0.088 18318 4264 1 11 . 1 1 21 21 GLN H H 18 8.560 8.560 8.626 -0.066 18318 4265 1 11 . 1 1 22 22 TYR N N 19 120.700 120.700 120.559 0.141 18318 4266 1 11 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.314 -0.034 18318 4267 1 11 . 1 1 22 22 TYR C C 19 176.600 176.600 178.037 -1.437 18318 4268 1 11 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.609 1.491 18318 4269 1 11 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.111 0.789 18318 4270 1 11 . 1 1 22 22 TYR H H 19 8.120 8.120 7.929 0.191 18318 4271 1 11 . 1 1 23 23 GLY N N 20 105.600 105.600 105.338 0.262 18318 4272 1 11 . 1 1 23 23 GLY C C 20 176.700 176.700 176.110 0.590 18318 4273 1 11 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.575 0.525 18318 4274 1 11 . 1 1 23 23 GLY H H 20 8.390 8.390 7.893 0.497 18318 4275 1 11 . 1 1 24 24 GLN N N 21 120.300 120.300 120.882 -0.582 18318 4276 1 11 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.380 -0.330 18318 4277 1 11 . 1 1 24 24 GLN C C 21 178.000 178.000 178.316 -0.316 18318 4278 1 11 . 1 1 24 24 GLN CA C 21 58.600 58.600 57.842 0.758 18318 4279 1 11 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.816 -1.216 18318 4280 1 11 . 1 1 24 24 GLN H H 21 8.130 8.130 7.672 0.458 18318 4281 1 11 . 1 1 25 25 CYS N N 22 121.500 121.500 118.907 2.593 18318 4282 1 11 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.664 -0.384 18318 4283 1 11 . 1 1 25 25 CYS C C 22 175.400 175.400 177.084 -1.684 18318 4284 1 11 . 1 1 25 25 CYS CA C 22 60.600 60.600 61.717 -1.117 18318 4285 1 11 . 1 1 25 25 CYS CB C 22 39.900 39.900 27.432 12.468 18318 4286 1 11 . 1 1 25 25 CYS H H 22 7.610 7.610 8.300 -0.690 18318 4287 1 11 . 1 1 26 26 VAL N N 23 119.900 119.900 120.256 -0.356 18318 4288 1 11 . 1 1 26 26 VAL HA H 23 3.790 3.790 3.900 -0.110 18318 4289 1 11 . 1 1 26 26 VAL C C 23 177.100 177.100 177.351 -0.251 18318 4290 1 11 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.663 0.237 18318 4291 1 11 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.523 -2.223 18318 4292 1 11 . 1 1 26 26 VAL H H 23 8.040 8.040 7.482 0.558 18318 4293 1 11 . 1 1 27 27 ALA N N 24 117.400 117.400 120.691 -3.291 18318 4294 1 11 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.003 0.097 18318 4295 1 11 . 1 1 27 27 ALA C C 24 178.600 178.600 178.844 -0.244 18318 4296 1 11 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.544 -0.444 18318 4297 1 11 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.593 -0.693 18318 4298 1 11 . 1 1 27 27 ALA H H 24 7.430 7.430 7.502 -0.072 18318 4299 1 11 . 1 1 28 28 ALA N N 25 116.100 116.100 120.847 -4.747 18318 4300 1 11 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.098 0.232 18318 4301 1 11 . 1 1 28 28 ALA C C 25 178.100 178.100 177.664 0.436 18318 4302 1 11 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.795 -1.195 18318 4303 1 11 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.483 -0.383 18318 4304 1 11 . 1 1 28 28 ALA H H 25 7.120 7.120 7.705 -0.585 18318 4305 1 11 . 1 1 29 29 LYS N N 26 119.200 119.200 113.253 5.947 18318 4306 1 11 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.000 5.700 18318 4307 1 11 . 1 1 29 29 LYS CB C 26 32.100 32.100 33.170 -1.070 18318 4308 1 11 . 1 1 29 29 LYS H H 26 7.560 7.560 7.557 0.003 18318 4309 1 11 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.232 -0.022 18318 4310 1 11 . 1 1 30 30 PRO C C 27 177.000 177.000 178.421 -1.421 18318 4311 1 11 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.551 0.349 18318 4312 1 11 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.023 -0.422 18318 4313 1 11 . 1 1 31 31 GLU N N 28 114.600 114.600 117.910 -3.310 18318 4314 1 11 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.306 0.144 18318 4315 1 11 . 1 1 31 31 GLU C C 28 176.100 176.100 178.367 -2.267 18318 4316 1 11 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.403 -1.203 18318 4317 1 11 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.425 1.175 18318 4318 1 11 . 1 1 31 31 GLU H H 28 8.770 8.770 8.758 0.012 18318 4319 1 11 . 1 1 32 32 SER N N 29 111.000 111.000 115.757 -4.757 18318 4320 1 11 . 1 1 32 32 SER HA H 29 4.510 4.510 4.282 0.228 18318 4321 1 11 . 1 1 32 32 SER C C 29 176.600 176.600 175.674 0.926 18318 4322 1 11 . 1 1 32 32 SER CA C 29 58.500 58.500 60.628 -2.128 18318 4323 1 11 . 1 1 32 32 SER CB C 29 63.800 63.800 62.578 1.222 18318 4324 1 11 . 1 1 32 32 SER H H 29 7.750 7.750 8.366 -0.616 18318 4325 1 11 . 1 1 33 33 TRP N N 30 125.000 125.000 124.164 0.836 18318 4326 1 11 . 1 1 33 33 TRP C C 30 177.200 177.200 177.962 -0.762 18318 4327 1 11 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.600 -0.600 18318 4328 1 11 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.761 0.739 18318 4329 1 11 . 1 1 33 33 TRP H H 30 7.820 7.820 7.596 0.224 18318 4330 1 11 . 1 1 34 34 GLN N N 31 123.600 123.600 116.464 7.136 18318 4331 1 11 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.786 0.664 18318 4332 1 11 . 1 1 34 34 GLN C C 31 176.800 176.800 177.366 -0.566 18318 4333 1 11 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.254 2.646 18318 4334 1 11 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.418 -1.918 18318 4335 1 11 . 1 1 34 34 GLN H H 31 8.240 8.240 7.469 0.771 18318 4336 1 11 . 1 1 35 35 ARG N N 32 115.900 115.900 119.257 -3.357 18318 4337 1 11 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.110 0.170 18318 4338 1 11 . 1 1 35 35 ARG C C 32 178.900 178.900 177.833 1.067 18318 4339 1 11 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.856 -1.456 18318 4340 1 11 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.575 0.725 18318 4341 1 11 . 1 1 35 35 ARG H H 32 7.450 7.450 7.518 -0.068 18318 4342 1 11 . 1 1 36 36 ASP N N 33 117.700 117.700 118.896 -1.196 18318 4343 1 11 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.572 -0.432 18318 4344 1 11 . 1 1 36 36 ASP C C 33 177.600 177.600 177.104 0.496 18318 4345 1 11 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.511 0.689 18318 4346 1 11 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.216 -0.316 18318 4347 1 11 . 1 1 36 36 ASP H H 33 8.760 8.760 8.401 0.359 18318 4348 1 11 . 1 1 37 37 CYS N N 34 113.300 113.300 116.604 -3.304 18318 4349 1 11 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.826 0.574 18318 4350 1 11 . 1 1 37 37 CYS C C 34 175.800 175.800 174.588 1.212 18318 4351 1 11 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.877 -3.777 18318 4352 1 11 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.965 13.535 18318 4353 1 11 . 1 1 37 37 CYS H H 34 8.260 8.260 7.787 0.473 18318 4354 1 11 . 1 1 38 38 HIS N N 35 124.200 124.200 125.745 -1.545 18318 4355 1 11 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.401 -0.051 18318 4356 1 11 . 1 1 38 38 HIS C C 35 177.400 177.400 175.939 1.461 18318 4357 1 11 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.442 1.558 18318 4358 1 11 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.846 -0.246 18318 4359 1 11 . 1 1 38 38 HIS H H 35 7.520 7.520 8.560 -1.040 18318 4360 1 11 . 1 1 39 39 TYR N N 36 117.100 117.100 120.577 -3.477 18318 4361 1 11 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.304 -0.004 18318 4362 1 11 . 1 1 39 39 TYR C C 36 177.700 177.700 178.245 -0.545 18318 4363 1 11 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.737 -1.137 18318 4364 1 11 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.961 -1.761 18318 4365 1 11 . 1 1 39 39 TYR H H 36 8.930 8.930 8.541 0.389 18318 4366 1 11 . 1 1 40 40 LEU N N 37 122.000 122.000 118.772 3.228 18318 4367 1 11 . 1 1 40 40 LEU HA H 37 4.170 4.170 3.987 0.183 18318 4368 1 11 . 1 1 40 40 LEU C C 37 179.400 179.400 179.032 0.368 18318 4369 1 11 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.985 -1.485 18318 4370 1 11 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.126 1.274 18318 4371 1 11 . 1 1 40 40 LEU H H 37 6.940 6.940 8.401 -1.461 18318 4372 1 11 . 1 1 41 41 LYS N N 38 125.300 125.300 118.361 6.939 18318 4373 1 11 . 1 1 41 41 LYS C C 38 179.600 179.600 177.893 1.707 18318 4374 1 11 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.917 0.683 18318 4375 1 11 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.764 -0.764 18318 4376 1 11 . 1 1 41 41 LYS H H 38 7.880 7.880 7.787 0.093 18318 4377 1 11 . 1 1 42 42 MET N N 39 117.600 117.600 117.327 0.273 18318 4378 1 11 . 1 1 42 42 MET HA H 39 4.120 4.120 4.346 -0.227 18318 4379 1 11 . 1 1 42 42 MET C C 39 178.900 178.900 178.001 0.899 18318 4380 1 11 . 1 1 42 42 MET CA C 39 57.200 57.200 57.979 -0.779 18318 4381 1 11 . 1 1 42 42 MET CB C 39 30.000 30.000 33.183 -3.183 18318 4382 1 11 . 1 1 42 42 MET H H 39 8.090 8.090 7.595 0.495 18318 4383 1 11 . 1 1 43 43 SER N N 40 115.900 115.900 116.051 -0.151 18318 4384 1 11 . 1 1 43 43 SER HA H 40 4.290 4.290 4.389 -0.099 18318 4385 1 11 . 1 1 43 43 SER C C 40 177.400 177.400 176.684 0.716 18318 4386 1 11 . 1 1 43 43 SER CA C 40 61.700 61.700 61.371 0.329 18318 4387 1 11 . 1 1 43 43 SER CB C 40 62.500 62.500 63.413 -0.913 18318 4388 1 11 . 1 1 43 43 SER H H 40 7.600 7.600 8.237 -0.637 18318 4389 1 11 . 1 1 44 44 ILE N N 41 121.900 121.900 117.988 3.912 18318 4390 1 11 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.091 -0.551 18318 4391 1 11 . 1 1 44 44 ILE C C 41 177.500 177.500 176.920 0.580 18318 4392 1 11 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.202 2.898 18318 4393 1 11 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.443 0.457 18318 4394 1 11 . 1 1 44 44 ILE H H 41 7.540 7.540 8.308 -0.768 18318 4395 1 11 . 1 1 45 45 ALA N N 42 122.600 122.600 123.351 -0.751 18318 4396 1 11 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.124 0.056 18318 4397 1 11 . 1 1 45 45 ALA C C 42 180.200 180.200 179.529 0.671 18318 4398 1 11 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.810 -0.010 18318 4399 1 11 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.790 -1.490 18318 4400 1 11 . 1 1 45 45 ALA H H 42 7.420 7.420 7.731 -0.311 18318 4401 1 11 . 1 1 46 46 GLN N N 43 118.400 118.400 116.078 2.322 18318 4402 1 11 . 1 1 46 46 GLN HA H 43 3.970 3.970 3.985 -0.015 18318 4403 1 11 . 1 1 46 46 GLN C C 43 178.500 178.500 176.951 1.549 18318 4404 1 11 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.312 0.388 18318 4405 1 11 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.299 -0.499 18318 4406 1 11 . 1 1 46 46 GLN H H 43 8.290 8.290 7.829 0.461 18318 4407 1 11 . 1 1 47 47 CYS N N 44 119.500 119.500 118.656 0.844 18318 4408 1 11 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.268 -0.178 18318 4409 1 11 . 1 1 47 47 CYS C C 44 176.500 176.500 177.017 -0.517 18318 4410 1 11 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.475 -1.175 18318 4411 1 11 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.519 12.381 18318 4412 1 11 . 1 1 47 47 CYS H H 44 7.590 7.590 7.881 -0.291 18318 4413 1 11 . 1 1 48 48 THR N N 45 113.000 113.000 112.076 0.924 18318 4414 1 11 . 1 1 48 48 THR C C 45 175.900 175.900 176.589 -0.689 18318 4415 1 11 . 1 1 48 48 THR CA C 45 65.400 65.400 64.764 0.636 18318 4416 1 11 . 1 1 48 48 THR CB C 45 68.800 68.800 68.507 0.293 18318 4417 1 11 . 1 1 48 48 THR H H 45 8.810 8.810 7.643 1.167 18318 4418 1 11 . 1 1 49 49 SER N N 46 113.200 113.200 116.638 -3.438 18318 4419 1 11 . 1 1 49 49 SER HA H 46 4.380 4.380 4.570 -0.190 18318 4420 1 11 . 1 1 49 49 SER C C 46 175.600 175.600 174.946 0.654 18318 4421 1 11 . 1 1 49 49 SER CA C 46 60.000 60.000 57.937 2.063 18318 4422 1 11 . 1 1 49 49 SER CB C 46 63.900 63.900 62.591 1.309 18318 4423 1 11 . 1 1 49 49 SER H H 46 7.890 7.890 7.993 -0.103 18318 4424 1 11 . 1 1 50 50 SER N N 47 114.100 114.100 116.596 -2.496 18318 4425 1 11 . 1 1 50 50 SER HA H 47 4.390 4.390 4.374 0.016 18318 4426 1 11 . 1 1 50 50 SER CA C 47 59.100 59.100 60.653 -1.553 18318 4427 1 11 . 1 1 50 50 SER CB C 47 64.800 64.800 63.834 0.966 18318 4428 1 11 . 1 1 50 50 SER H H 47 7.770 7.770 7.530 0.240 18318 4429 1 11 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.134 0.456 18318 4430 1 11 . 1 1 55 55 ARG C C 52 178.500 178.500 177.740 0.760 18318 4431 1 11 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.770 1.230 18318 4432 1 11 . 1 1 56 56 GLN N N 53 117.700 117.700 120.068 -2.368 18318 4433 1 11 . 1 1 56 56 GLN C C 53 175.000 175.000 178.591 -3.591 18318 4434 1 11 . 1 1 56 56 GLN CA C 53 60.200 60.200 60.062 0.138 18318 4435 1 11 . 1 1 56 56 GLN H H 53 8.110 8.110 8.704 -0.594 18318 4436 1 11 . 1 1 57 57 ILE N N 54 121.200 121.200 113.034 8.166 18318 4437 1 11 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.913 -0.593 18318 4438 1 11 . 1 1 57 57 ILE C C 54 178.700 178.700 177.147 1.553 18318 4439 1 11 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.477 2.523 18318 4440 1 11 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.295 0.405 18318 4441 1 11 . 1 1 57 57 ILE H H 54 7.820 7.820 7.896 -0.076 18318 4442 1 11 . 1 1 58 58 ARG N N 55 118.900 118.900 120.225 -1.325 18318 4443 1 11 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.135 0.175 18318 4444 1 11 . 1 1 58 58 ARG C C 55 178.600 178.600 178.987 -0.387 18318 4445 1 11 . 1 1 58 58 ARG CA C 55 59.900 59.900 59.370 0.530 18318 4446 1 11 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.428 1.072 18318 4447 1 11 . 1 1 58 58 ARG H H 55 8.250 8.250 7.696 0.554 18318 4448 1 11 . 1 1 59 59 GLN N N 56 115.800 115.800 119.823 -4.023 18318 4449 1 11 . 1 1 59 59 GLN C C 56 178.100 178.100 177.111 0.989 18318 4450 1 11 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.581 -0.582 18318 4451 1 11 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.857 -0.057 18318 4452 1 11 . 1 1 59 59 GLN H H 56 7.920 7.920 8.031 -0.111 18318 4453 1 11 . 1 1 60 60 ALA N N 57 121.600 121.600 119.506 2.094 18318 4454 1 11 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.494 -0.314 18318 4455 1 11 . 1 1 60 60 ALA C C 57 179.600 179.600 176.920 2.680 18318 4456 1 11 . 1 1 60 60 ALA CA C 57 54.500 54.500 51.749 2.751 18318 4457 1 11 . 1 1 60 60 ALA CB C 57 18.900 18.900 18.561 0.339 18318 4458 1 11 . 1 1 60 60 ALA H H 57 8.490 8.490 7.505 0.985 18318 4459 1 11 . 1 1 61 61 CYS N N 58 114.000 114.000 118.312 -4.312 18318 4460 1 11 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.754 0.376 18318 4461 1 11 . 1 1 61 61 CYS C C 58 175.000 175.000 175.276 -0.276 18318 4462 1 11 . 1 1 61 61 CYS CA C 58 52.700 52.700 57.310 -4.610 18318 4463 1 11 . 1 1 61 61 CYS CB C 58 39.800 39.800 26.345 13.455 18318 4464 1 11 . 1 1 61 61 CYS H H 58 8.370 8.370 7.592 0.778 18318 4465 1 11 . 1 1 62 62 ALA N N 59 124.900 124.900 124.802 0.098 18318 4466 1 11 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.235 0.035 18318 4467 1 11 . 1 1 62 62 ALA C C 59 179.200 179.200 179.135 0.065 18318 4468 1 11 . 1 1 62 62 ALA CA C 59 56.500 56.500 55.338 1.162 18318 4469 1 11 . 1 1 62 62 ALA CB C 59 18.800 18.800 18.961 -0.161 18318 4470 1 11 . 1 1 62 62 ALA H H 59 7.200 7.200 7.849 -0.649 18318 4471 1 11 . 1 1 63 63 GLN N N 60 115.800 115.800 118.551 -2.751 18318 4472 1 11 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.127 0.353 18318 4473 1 11 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.327 -0.127 18318 4474 1 11 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.723 -2.023 18318 4475 1 11 . 1 1 63 63 GLN H H 60 9.040 9.040 8.779 0.261 18318 4476 1 11 . 1 1 64 64 PRO C C 61 179.700 179.700 178.039 1.661 18318 4477 1 11 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.041 0.559 18318 4478 1 11 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.160 -0.360 18318 4479 1 11 . 1 1 65 65 PHE N N 62 120.500 120.500 118.886 1.614 18318 4480 1 11 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.459 -0.179 18318 4481 1 11 . 1 1 65 65 PHE C C 62 176.400 176.400 177.582 -1.182 18318 4482 1 11 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.232 2.168 18318 4483 1 11 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.269 -0.669 18318 4484 1 11 . 1 1 65 65 PHE H H 62 8.500 8.500 7.277 1.223 18318 4485 1 11 . 1 1 66 66 GLU N N 63 120.200 120.200 120.478 -0.278 18318 4486 1 11 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.131 -0.101 18318 4487 1 11 . 1 1 66 66 GLU C C 63 179.300 179.300 178.726 0.574 18318 4488 1 11 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.314 -0.114 18318 4489 1 11 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.957 -1.457 18318 4490 1 11 . 1 1 66 66 GLU H H 63 8.900 8.900 8.231 0.669 18318 4491 1 11 . 1 1 67 67 ALA N N 64 120.600 120.600 122.050 -1.450 18318 4492 1 11 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.044 -0.174 18318 4493 1 11 . 1 1 67 67 ALA C C 64 180.500 180.500 179.192 1.308 18318 4494 1 11 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.333 -0.633 18318 4495 1 11 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.387 -0.286 18318 4496 1 11 . 1 1 67 67 ALA H H 64 8.150 8.150 7.618 0.532 18318 4497 1 11 . 1 1 68 68 PHE N N 65 120.000 120.000 118.938 1.062 18318 4498 1 11 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.110 0.210 18318 4499 1 11 . 1 1 68 68 PHE C C 65 175.400 175.400 177.129 -1.729 18318 4500 1 11 . 1 1 68 68 PHE CA C 65 59.800 59.800 61.033 -1.233 18318 4501 1 11 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.822 -0.822 18318 4502 1 11 . 1 1 68 68 PHE H H 65 7.810 7.810 7.859 -0.049 18318 4503 1 11 . 1 1 69 69 GLU N N 66 119.400 119.400 117.894 1.506 18318 4504 1 11 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.288 0.882 18318 4505 1 11 . 1 1 69 69 GLU C C 66 178.800 178.800 178.522 0.278 18318 4506 1 11 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.461 1.739 18318 4507 1 11 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.259 -0.159 18318 4508 1 11 . 1 1 69 69 GLU H H 66 8.330 8.330 7.807 0.523 18318 4509 1 11 . 1 1 70 70 GLU N N 67 118.600 118.600 120.187 -1.587 18318 4510 1 11 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.134 -0.164 18318 4511 1 11 . 1 1 70 70 GLU C C 67 177.700 177.700 178.379 -0.679 18318 4512 1 11 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.979 -0.179 18318 4513 1 11 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.510 -0.810 18318 4514 1 11 . 1 1 70 70 GLU H H 67 8.240 8.240 7.343 0.897 18318 4515 1 11 . 1 1 71 71 CYS N N 68 119.100 119.100 118.981 0.119 18318 4516 1 11 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.169 -0.089 18318 4517 1 11 . 1 1 71 71 CYS C C 68 177.900 177.900 177.242 0.658 18318 4518 1 11 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.925 -3.325 18318 4519 1 11 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.534 12.466 18318 4520 1 11 . 1 1 71 71 CYS H H 68 7.580 7.580 7.999 -0.419 18318 4521 1 11 . 1 1 72 72 LEU N N 69 122.000 122.000 117.819 4.181 18318 4522 1 11 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.130 -0.430 18318 4523 1 11 . 1 1 72 72 LEU C C 69 179.300 179.300 179.204 0.096 18318 4524 1 11 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.914 0.686 18318 4525 1 11 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.061 -0.061 18318 4526 1 11 . 1 1 72 72 LEU H H 69 8.090 8.090 7.507 0.583 18318 4527 1 11 . 1 1 73 73 ARG N N 70 117.400 117.400 116.745 0.655 18318 4528 1 11 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.968 0.042 18318 4529 1 11 . 1 1 73 73 ARG C C 70 178.500 178.500 177.789 0.711 18318 4530 1 11 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.665 0.035 18318 4531 1 11 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.688 0.412 18318 4532 1 11 . 1 1 73 73 ARG H H 70 7.600 7.600 7.565 0.035 18318 4533 1 11 . 1 1 74 74 GLN N N 71 115.800 115.800 116.106 -0.306 18318 4534 1 11 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.380 -0.090 18318 4535 1 11 . 1 1 74 74 GLN C C 71 176.200 176.200 176.357 -0.157 18318 4536 1 11 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.536 -0.136 18318 4537 1 11 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.910 -1.710 18318 4538 1 11 . 1 1 74 74 GLN H H 71 7.580 7.580 7.564 0.016 18318 4539 1 11 . 1 1 75 75 ASN N N 72 118.600 118.600 119.035 -0.435 18318 4540 1 11 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.044 -0.054 18318 4541 1 11 . 1 1 75 75 ASN C C 72 174.800 174.800 174.728 0.072 18318 4542 1 11 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.549 0.451 18318 4543 1 11 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.275 0.525 18318 4544 1 11 . 1 1 75 75 ASN H H 72 7.750 7.750 8.102 -0.352 18318 4545 1 11 . 1 1 76 76 GLU N N 73 120.200 120.200 120.594 -0.394 18318 4546 1 11 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.904 0.056 18318 4547 1 11 . 1 1 76 76 GLU C C 73 176.800 176.800 177.612 -0.812 18318 4548 1 11 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.156 0.044 18318 4549 1 11 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.323 -0.223 18318 4550 1 11 . 1 1 76 76 GLU H H 73 7.950 7.950 7.914 0.036 18318 4551 1 11 . 1 1 77 77 ALA N N 74 119.200 119.200 121.029 -1.829 18318 4552 1 11 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.506 -0.146 18318 4553 1 11 . 1 1 77 77 ALA C C 74 175.400 175.400 177.395 -1.995 18318 4554 1 11 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.587 -0.487 18318 4555 1 11 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.481 -0.281 18318 4556 1 11 . 1 1 77 77 ALA H H 74 8.320 8.320 8.252 0.068 18318 4557 1 11 . 1 1 78 78 ALA N N 75 124.400 124.400 120.811 3.589 18318 4558 1 11 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.549 -0.169 18318 4559 1 11 . 1 1 78 78 ALA C C 75 177.200 177.200 178.599 -1.399 18318 4560 1 11 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.499 -0.099 18318 4561 1 11 . 1 1 78 78 ALA CB C 75 18.000 18.000 17.784 0.216 18318 4562 1 11 . 1 1 78 78 ALA H H 75 7.900 7.900 7.920 -0.020 18318 4563 1 11 . 1 1 79 79 VAL N N 76 118.400 118.400 118.526 -0.126 18318 4564 1 11 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.847 -0.057 18318 4565 1 11 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.618 0.482 18318 4566 1 11 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.486 -0.186 18318 4567 1 11 . 1 1 79 79 VAL H H 76 8.100 8.100 7.999 0.101 18318 4568 1 11 . 1 1 80 80 GLY C C 77 175.900 175.900 175.142 0.758 18318 4569 1 11 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.797 -0.397 18318 4570 1 11 . 1 1 81 81 ASN N N 78 119.300 119.300 118.650 0.650 18318 4571 1 11 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.763 -0.163 18318 4572 1 11 . 1 1 81 81 ASN C C 78 176.700 176.700 174.996 1.704 18318 4573 1 11 . 1 1 81 81 ASN CA C 78 54.500 54.500 55.015 -0.515 18318 4574 1 11 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.957 -2.657 18318 4575 1 11 . 1 1 81 81 ASN H H 78 8.200 8.200 7.950 0.250 18318 4576 1 11 . 1 1 82 82 CYS N N 79 117.200 117.200 115.965 1.235 18318 4577 1 11 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.848 0.552 18318 4578 1 11 . 1 1 82 82 CYS C C 79 175.800 175.800 173.122 2.678 18318 4579 1 11 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.735 -2.235 18318 4580 1 11 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.317 8.983 18318 4581 1 11 . 1 1 82 82 CYS H H 79 8.330 8.330 7.710 0.620 18318 4582 1 11 . 1 1 83 83 ALA N N 80 125.000 125.000 124.919 0.081 18318 4583 1 11 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.605 -0.455 18318 4584 1 11 . 1 1 83 83 ALA C C 80 179.900 179.900 178.047 1.853 18318 4585 1 11 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.760 4.440 18318 4586 1 11 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.225 -2.025 18318 4587 1 11 . 1 1 83 83 ALA H H 80 7.700 7.700 8.375 -0.675 18318 4588 1 11 . 1 1 84 84 GLU N N 81 118.900 118.900 124.370 -5.470 18318 4589 1 11 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.313 -0.363 18318 4590 1 11 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.315 -0.315 18318 4591 1 11 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.609 -0.709 18318 4592 1 11 . 1 1 84 84 GLU H H 81 8.920 8.920 9.010 -0.090 18318 4593 1 11 . 1 1 85 85 HIS C C 82 178.500 178.500 177.602 0.898 18318 4594 1 11 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.812 -2.712 18318 4595 1 11 . 1 1 86 86 MET N N 83 118.800 118.800 118.415 0.385 18318 4596 1 11 . 1 1 86 86 MET C C 83 177.200 177.200 178.433 -1.233 18318 4597 1 11 . 1 1 86 86 MET CA C 83 58.900 58.900 58.517 0.383 18318 4598 1 11 . 1 1 86 86 MET CB C 83 31.300 31.300 32.286 -0.986 18318 4599 1 11 . 1 1 86 86 MET H H 83 7.460 7.460 8.668 -1.208 18318 4600 1 11 . 1 1 87 87 ARG N N 84 119.500 119.500 118.754 0.746 18318 4601 1 11 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.213 -0.303 18318 4602 1 11 . 1 1 87 87 ARG C C 84 178.600 178.600 178.470 0.130 18318 4603 1 11 . 1 1 87 87 ARG CA C 84 59.900 59.900 59.050 0.851 18318 4604 1 11 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.678 -0.178 18318 4605 1 11 . 1 1 87 87 ARG H H 84 8.220 8.220 7.878 0.342 18318 4606 1 11 . 1 1 88 88 ARG N N 85 117.900 117.900 119.782 -1.882 18318 4607 1 11 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.040 -0.120 18318 4608 1 11 . 1 1 88 88 ARG C C 85 179.700 179.700 178.957 0.743 18318 4609 1 11 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.059 0.441 18318 4610 1 11 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.643 0.357 18318 4611 1 11 . 1 1 88 88 ARG H H 85 8.100 8.100 7.585 0.515 18318 4612 1 11 . 1 1 89 89 PHE N N 86 119.700 119.700 120.227 -0.527 18318 4613 1 11 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.213 0.137 18318 4614 1 11 . 1 1 89 89 PHE C C 86 175.600 175.600 176.751 -1.151 18318 4615 1 11 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.872 0.228 18318 4616 1 11 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.651 -1.851 18318 4617 1 11 . 1 1 89 89 PHE H H 86 7.930 7.930 8.381 -0.451 18318 4618 1 11 . 1 1 90 90 LEU N N 87 120.400 120.400 119.519 0.881 18318 4619 1 11 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.727 -0.017 18318 4620 1 11 . 1 1 90 90 LEU C C 87 179.200 179.200 179.071 0.129 18318 4621 1 11 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.967 -0.267 18318 4622 1 11 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.520 -1.220 18318 4623 1 11 . 1 1 90 90 LEU H H 87 8.640 8.640 7.867 0.773 18318 4624 1 11 . 1 1 91 91 GLN N N 88 118.200 118.200 117.894 0.306 18318 4625 1 11 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.010 0.030 18318 4626 1 11 . 1 1 91 91 GLN C C 88 178.000 178.000 178.340 -0.340 18318 4627 1 11 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.343 -0.643 18318 4628 1 11 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.417 -0.417 18318 4629 1 11 . 1 1 91 91 GLN H H 88 8.380 8.380 8.509 -0.129 18318 4630 1 11 . 1 1 92 92 CYS N N 89 119.000 119.000 117.473 1.527 18318 4631 1 11 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.142 -0.092 18318 4632 1 11 . 1 1 92 92 CYS C C 89 176.600 176.600 176.902 -0.302 18318 4633 1 11 . 1 1 92 92 CYS CA C 89 60.100 60.100 60.959 -0.859 18318 4634 1 11 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.308 14.192 18318 4635 1 11 . 1 1 92 92 CYS H H 89 7.390 7.390 7.691 -0.301 18318 4636 1 11 . 1 1 93 93 ALA N N 90 122.900 122.900 123.675 -0.775 18318 4637 1 11 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.907 0.003 18318 4638 1 11 . 1 1 93 93 ALA C C 90 179.200 179.200 179.635 -0.435 18318 4639 1 11 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.495 0.205 18318 4640 1 11 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.053 -0.253 18318 4641 1 11 . 1 1 93 93 ALA H H 90 8.410 8.410 7.538 0.872 18318 4642 1 11 . 1 1 94 94 GLU N N 91 115.800 115.800 118.506 -2.706 18318 4643 1 11 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.163 -0.013 18318 4644 1 11 . 1 1 94 94 GLU C C 91 177.400 177.400 178.144 -0.744 18318 4645 1 11 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.230 -0.330 18318 4646 1 11 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.771 -0.371 18318 4647 1 11 . 1 1 94 94 GLU H H 91 7.880 7.880 7.991 -0.111 18318 4648 1 11 . 1 1 95 95 GLN N N 92 115.500 115.500 117.447 -1.947 18318 4649 1 11 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.111 0.179 18318 4650 1 11 . 1 1 95 95 GLN C C 92 176.600 176.600 176.641 -0.041 18318 4651 1 11 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.325 -1.025 18318 4652 1 11 . 1 1 95 95 GLN CB C 92 28.900 28.900 28.905 -0.005 18318 4653 1 11 . 1 1 95 95 GLN H H 92 7.450 7.450 7.771 -0.321 18318 4654 1 12 . 1 1 15 15 CYS N N 12 117.500 117.500 119.539 -2.039 18318 4655 1 12 . 1 1 15 15 CYS C C 12 175.500 175.500 175.513 -0.013 18318 4656 1 12 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.260 -4.560 18318 4657 1 12 . 1 1 15 15 CYS CB C 12 36.700 36.700 31.077 5.623 18318 4658 1 12 . 1 1 15 15 CYS H H 12 8.280 8.280 8.654 -0.374 18318 4659 1 12 . 1 1 16 16 GLY N N 13 108.700 108.700 108.361 0.339 18318 4660 1 12 . 1 1 16 16 GLY C C 13 176.600 176.600 175.112 1.488 18318 4661 1 12 . 1 1 16 16 GLY CA C 13 47.900 47.900 45.622 2.278 18318 4662 1 12 . 1 1 16 16 GLY H H 13 8.080 8.080 8.901 -0.821 18318 4663 1 12 . 1 1 17 17 ARG N N 14 123.300 123.300 120.496 2.804 18318 4664 1 12 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.286 -0.326 18318 4665 1 12 . 1 1 17 17 ARG C C 14 179.300 179.300 177.666 1.634 18318 4666 1 12 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.394 0.806 18318 4667 1 12 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.724 0.376 18318 4668 1 12 . 1 1 17 17 ARG H H 14 8.630 8.630 8.587 0.043 18318 4669 1 12 . 1 1 18 18 GLU N N 15 121.900 121.900 120.108 1.792 18318 4670 1 12 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.167 0.003 18318 4671 1 12 . 1 1 18 18 GLU C C 15 177.900 177.900 178.106 -0.206 18318 4672 1 12 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.497 2.603 18318 4673 1 12 . 1 1 18 18 GLU CB C 15 28.200 28.200 28.661 -0.461 18318 4674 1 12 . 1 1 18 18 GLU H H 15 9.670 9.670 8.511 1.159 18318 4675 1 12 . 1 1 19 19 LEU N N 16 119.400 119.400 120.566 -1.166 18318 4676 1 12 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.014 2.886 18318 4677 1 12 . 1 1 19 19 LEU H H 16 8.090 8.090 7.775 0.315 18318 4678 1 12 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.021 -0.341 18318 4679 1 12 . 1 1 20 20 GLU C C 17 177.200 177.200 179.559 -2.359 18318 4680 1 12 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.661 -0.361 18318 4681 1 12 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.535 -0.535 18318 4682 1 12 . 1 1 21 21 GLN N N 18 118.500 118.500 118.286 0.214 18318 4683 1 12 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.289 -0.249 18318 4684 1 12 . 1 1 21 21 GLN C C 18 177.200 177.200 178.251 -1.051 18318 4685 1 12 . 1 1 21 21 GLN CA C 18 59.000 59.000 57.849 1.151 18318 4686 1 12 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.949 -0.249 18318 4687 1 12 . 1 1 21 21 GLN H H 18 8.560 8.560 8.435 0.125 18318 4688 1 12 . 1 1 22 22 TYR N N 19 120.700 120.700 121.047 -0.347 18318 4689 1 12 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.474 -0.194 18318 4690 1 12 . 1 1 22 22 TYR C C 19 176.600 176.600 177.507 -0.907 18318 4691 1 12 . 1 1 22 22 TYR CA C 19 62.100 62.100 59.438 2.662 18318 4692 1 12 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.189 0.711 18318 4693 1 12 . 1 1 22 22 TYR H H 19 8.120 8.120 8.159 -0.039 18318 4694 1 12 . 1 1 23 23 GLY N N 20 105.600 105.600 107.258 -1.658 18318 4695 1 12 . 1 1 23 23 GLY C C 20 176.700 176.700 175.777 0.923 18318 4696 1 12 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.020 0.079 18318 4697 1 12 . 1 1 23 23 GLY H H 20 8.390 8.390 7.869 0.521 18318 4698 1 12 . 1 1 24 24 GLN N N 21 120.300 120.300 120.309 -0.009 18318 4699 1 12 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.132 -0.082 18318 4700 1 12 . 1 1 24 24 GLN C C 21 178.000 178.000 178.355 -0.355 18318 4701 1 12 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.859 -0.259 18318 4702 1 12 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.685 -1.085 18318 4703 1 12 . 1 1 24 24 GLN H H 21 8.130 8.130 7.941 0.189 18318 4704 1 12 . 1 1 25 25 CYS N N 22 121.500 121.500 119.126 2.374 18318 4705 1 12 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.285 -0.004 18318 4706 1 12 . 1 1 25 25 CYS C C 22 175.400 175.400 176.825 -1.425 18318 4707 1 12 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.186 -2.586 18318 4708 1 12 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.900 13.000 18318 4709 1 12 . 1 1 25 25 CYS H H 22 7.610 7.610 7.656 -0.046 18318 4710 1 12 . 1 1 26 26 VAL N N 23 119.900 119.900 119.881 0.019 18318 4711 1 12 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.169 -0.379 18318 4712 1 12 . 1 1 26 26 VAL C C 23 177.100 177.100 176.859 0.241 18318 4713 1 12 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.147 0.753 18318 4714 1 12 . 1 1 26 26 VAL CB C 23 29.300 29.300 32.032 -2.732 18318 4715 1 12 . 1 1 26 26 VAL H H 23 8.040 8.040 8.002 0.038 18318 4716 1 12 . 1 1 27 27 ALA N N 24 117.400 117.400 121.413 -4.013 18318 4717 1 12 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.097 0.003 18318 4718 1 12 . 1 1 27 27 ALA C C 24 178.600 178.600 178.692 -0.092 18318 4719 1 12 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.483 -0.383 18318 4720 1 12 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.675 -0.775 18318 4721 1 12 . 1 1 27 27 ALA H H 24 7.430 7.430 7.856 -0.426 18318 4722 1 12 . 1 1 28 28 ALA N N 25 116.100 116.100 120.977 -4.877 18318 4723 1 12 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.195 0.135 18318 4724 1 12 . 1 1 28 28 ALA C C 25 178.100 178.100 178.141 -0.041 18318 4725 1 12 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.920 -1.321 18318 4726 1 12 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.573 -0.473 18318 4727 1 12 . 1 1 28 28 ALA H H 25 7.120 7.120 7.580 -0.461 18318 4728 1 12 . 1 1 29 29 LYS N N 26 119.200 119.200 113.814 5.386 18318 4729 1 12 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.917 4.783 18318 4730 1 12 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.762 -2.662 18318 4731 1 12 . 1 1 29 29 LYS H H 26 7.560 7.560 7.501 0.059 18318 4732 1 12 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.370 -0.160 18318 4733 1 12 . 1 1 30 30 PRO C C 27 177.000 177.000 178.436 -1.436 18318 4734 1 12 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.509 0.391 18318 4735 1 12 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.105 -0.505 18318 4736 1 12 . 1 1 31 31 GLU N N 28 114.600 114.600 118.734 -4.134 18318 4737 1 12 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.416 0.034 18318 4738 1 12 . 1 1 31 31 GLU C C 28 176.100 176.100 178.624 -2.524 18318 4739 1 12 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.209 -1.009 18318 4740 1 12 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.871 0.729 18318 4741 1 12 . 1 1 31 31 GLU H H 28 8.770 8.770 8.831 -0.061 18318 4742 1 12 . 1 1 32 32 SER N N 29 111.000 111.000 115.441 -4.441 18318 4743 1 12 . 1 1 32 32 SER HA H 29 4.510 4.510 4.368 0.142 18318 4744 1 12 . 1 1 32 32 SER C C 29 176.600 176.600 175.821 0.779 18318 4745 1 12 . 1 1 32 32 SER CA C 29 58.500 58.500 60.824 -2.324 18318 4746 1 12 . 1 1 32 32 SER CB C 29 63.800 63.800 62.579 1.221 18318 4747 1 12 . 1 1 32 32 SER H H 29 7.750 7.750 8.478 -0.728 18318 4748 1 12 . 1 1 33 33 TRP N N 30 125.000 125.000 124.027 0.973 18318 4749 1 12 . 1 1 33 33 TRP C C 30 177.200 177.200 178.008 -0.808 18318 4750 1 12 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.653 -0.653 18318 4751 1 12 . 1 1 33 33 TRP CB C 30 29.500 29.500 29.012 0.488 18318 4752 1 12 . 1 1 33 33 TRP H H 30 7.820 7.820 7.788 0.032 18318 4753 1 12 . 1 1 34 34 GLN N N 31 123.600 123.600 117.953 5.647 18318 4754 1 12 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.194 0.256 18318 4755 1 12 . 1 1 34 34 GLN C C 31 176.800 176.800 178.633 -1.833 18318 4756 1 12 . 1 1 34 34 GLN CA C 31 59.900 59.900 58.305 1.595 18318 4757 1 12 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.811 -2.312 18318 4758 1 12 . 1 1 34 34 GLN H H 31 8.240 8.240 7.754 0.486 18318 4759 1 12 . 1 1 35 35 ARG N N 32 115.900 115.900 119.675 -3.775 18318 4760 1 12 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.090 0.190 18318 4761 1 12 . 1 1 35 35 ARG C C 32 178.900 178.900 178.416 0.484 18318 4762 1 12 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.420 -2.020 18318 4763 1 12 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.408 0.892 18318 4764 1 12 . 1 1 35 35 ARG H H 32 7.450 7.450 7.575 -0.125 18318 4765 1 12 . 1 1 36 36 ASP N N 33 117.700 117.700 117.952 -0.252 18318 4766 1 12 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.675 -0.535 18318 4767 1 12 . 1 1 36 36 ASP C C 33 177.600 177.600 176.773 0.827 18318 4768 1 12 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.476 0.724 18318 4769 1 12 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.991 -1.091 18318 4770 1 12 . 1 1 36 36 ASP H H 33 8.760 8.760 8.377 0.383 18318 4771 1 12 . 1 1 37 37 CYS N N 34 113.300 113.300 119.408 -6.108 18318 4772 1 12 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.894 0.506 18318 4773 1 12 . 1 1 37 37 CYS C C 34 175.800 175.800 174.831 0.969 18318 4774 1 12 . 1 1 37 37 CYS CA C 34 53.100 53.100 57.835 -4.735 18318 4775 1 12 . 1 1 37 37 CYS CB C 34 39.500 39.500 26.021 13.479 18318 4776 1 12 . 1 1 37 37 CYS H H 34 8.260 8.260 7.834 0.426 18318 4777 1 12 . 1 1 38 38 HIS N N 35 124.200 124.200 124.806 -0.606 18318 4778 1 12 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.533 -0.183 18318 4779 1 12 . 1 1 38 38 HIS C C 35 177.400 177.400 176.274 1.126 18318 4780 1 12 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.589 1.411 18318 4781 1 12 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.812 -0.212 18318 4782 1 12 . 1 1 38 38 HIS H H 35 7.520 7.520 8.461 -0.941 18318 4783 1 12 . 1 1 39 39 TYR N N 36 117.100 117.100 118.555 -1.455 18318 4784 1 12 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.366 -0.066 18318 4785 1 12 . 1 1 39 39 TYR C C 36 177.700 177.700 177.360 0.340 18318 4786 1 12 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.637 -0.037 18318 4787 1 12 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.586 -2.386 18318 4788 1 12 . 1 1 39 39 TYR H H 36 8.930 8.930 8.663 0.267 18318 4789 1 12 . 1 1 40 40 LEU N N 37 122.000 122.000 118.477 3.523 18318 4790 1 12 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.179 -0.009 18318 4791 1 12 . 1 1 40 40 LEU C C 37 179.400 179.400 178.575 0.825 18318 4792 1 12 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.000 -0.500 18318 4793 1 12 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.610 0.790 18318 4794 1 12 . 1 1 40 40 LEU H H 37 6.940 6.940 8.155 -1.215 18318 4795 1 12 . 1 1 41 41 LYS N N 38 125.300 125.300 119.351 5.949 18318 4796 1 12 . 1 1 41 41 LYS C C 38 179.600 179.600 177.701 1.899 18318 4797 1 12 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.314 0.286 18318 4798 1 12 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.750 -0.750 18318 4799 1 12 . 1 1 41 41 LYS H H 38 7.880 7.880 7.740 0.140 18318 4800 1 12 . 1 1 42 42 MET N N 39 117.600 117.600 117.644 -0.044 18318 4801 1 12 . 1 1 42 42 MET HA H 39 4.120 4.120 4.150 -0.030 18318 4802 1 12 . 1 1 42 42 MET C C 39 178.900 178.900 178.147 0.753 18318 4803 1 12 . 1 1 42 42 MET CA C 39 57.200 57.200 57.637 -0.437 18318 4804 1 12 . 1 1 42 42 MET CB C 39 30.000 30.000 31.636 -1.635 18318 4805 1 12 . 1 1 42 42 MET H H 39 8.090 8.090 7.414 0.676 18318 4806 1 12 . 1 1 43 43 SER N N 40 115.900 115.900 116.293 -0.393 18318 4807 1 12 . 1 1 43 43 SER HA H 40 4.290 4.290 4.327 -0.037 18318 4808 1 12 . 1 1 43 43 SER C C 40 177.400 177.400 176.442 0.958 18318 4809 1 12 . 1 1 43 43 SER CA C 40 61.700 61.700 61.639 0.061 18318 4810 1 12 . 1 1 43 43 SER CB C 40 62.500 62.500 63.365 -0.865 18318 4811 1 12 . 1 1 43 43 SER H H 40 7.600 7.600 7.566 0.034 18318 4812 1 12 . 1 1 44 44 ILE N N 41 121.900 121.900 119.215 2.685 18318 4813 1 12 . 1 1 44 44 ILE HA H 41 3.540 3.540 4.010 -0.470 18318 4814 1 12 . 1 1 44 44 ILE C C 41 177.500 177.500 177.226 0.274 18318 4815 1 12 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.510 2.590 18318 4816 1 12 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.430 0.470 18318 4817 1 12 . 1 1 44 44 ILE H H 41 7.540 7.540 7.899 -0.359 18318 4818 1 12 . 1 1 45 45 ALA N N 42 122.600 122.600 123.359 -0.759 18318 4819 1 12 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.091 0.089 18318 4820 1 12 . 1 1 45 45 ALA C C 42 180.200 180.200 179.526 0.674 18318 4821 1 12 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.184 -0.384 18318 4822 1 12 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.647 -1.347 18318 4823 1 12 . 1 1 45 45 ALA H H 42 7.420 7.420 7.902 -0.482 18318 4824 1 12 . 1 1 46 46 GLN N N 43 118.400 118.400 116.739 1.661 18318 4825 1 12 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.100 -0.130 18318 4826 1 12 . 1 1 46 46 GLN C C 43 178.500 178.500 177.574 0.926 18318 4827 1 12 . 1 1 46 46 GLN CA C 43 58.700 58.700 57.912 0.788 18318 4828 1 12 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.247 -0.448 18318 4829 1 12 . 1 1 46 46 GLN H H 43 8.290 8.290 7.916 0.374 18318 4830 1 12 . 1 1 47 47 CYS N N 44 119.500 119.500 118.966 0.534 18318 4831 1 12 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.410 -0.320 18318 4832 1 12 . 1 1 47 47 CYS C C 44 176.500 176.500 177.194 -0.694 18318 4833 1 12 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.061 -1.761 18318 4834 1 12 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.883 13.017 18318 4835 1 12 . 1 1 47 47 CYS H H 44 7.590 7.590 7.912 -0.322 18318 4836 1 12 . 1 1 48 48 THR N N 45 113.000 113.000 114.546 -1.546 18318 4837 1 12 . 1 1 48 48 THR C C 45 175.900 175.900 175.744 0.156 18318 4838 1 12 . 1 1 48 48 THR CA C 45 65.400 65.400 64.825 0.575 18318 4839 1 12 . 1 1 48 48 THR CB C 45 68.800 68.800 68.557 0.243 18318 4840 1 12 . 1 1 48 48 THR H H 45 8.810 8.810 7.853 0.957 18318 4841 1 12 . 1 1 49 49 SER N N 46 113.200 113.200 115.698 -2.498 18318 4842 1 12 . 1 1 49 49 SER HA H 46 4.380 4.380 4.522 -0.142 18318 4843 1 12 . 1 1 49 49 SER C C 46 175.600 175.600 175.123 0.477 18318 4844 1 12 . 1 1 49 49 SER CA C 46 60.000 60.000 57.709 2.291 18318 4845 1 12 . 1 1 49 49 SER CB C 46 63.900 63.900 62.437 1.463 18318 4846 1 12 . 1 1 49 49 SER H H 46 7.890 7.890 7.599 0.291 18318 4847 1 12 . 1 1 50 50 SER N N 47 114.100 114.100 117.174 -3.074 18318 4848 1 12 . 1 1 50 50 SER HA H 47 4.390 4.390 4.428 -0.038 18318 4849 1 12 . 1 1 50 50 SER CA C 47 59.100 59.100 59.688 -0.588 18318 4850 1 12 . 1 1 50 50 SER CB C 47 64.800 64.800 64.073 0.727 18318 4851 1 12 . 1 1 50 50 SER H H 47 7.770 7.770 7.730 0.040 18318 4852 1 12 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.000 0.590 18318 4853 1 12 . 1 1 55 55 ARG C C 52 178.500 178.500 178.141 0.359 18318 4854 1 12 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.047 0.952 18318 4855 1 12 . 1 1 56 56 GLN N N 53 117.700 117.700 118.207 -0.507 18318 4856 1 12 . 1 1 56 56 GLN C C 53 175.000 175.000 178.288 -3.288 18318 4857 1 12 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.769 1.431 18318 4858 1 12 . 1 1 56 56 GLN H H 53 8.110 8.110 8.485 -0.375 18318 4859 1 12 . 1 1 57 57 ILE N N 54 121.200 121.200 117.542 3.658 18318 4860 1 12 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.925 -0.605 18318 4861 1 12 . 1 1 57 57 ILE C C 54 178.700 178.700 177.917 0.783 18318 4862 1 12 . 1 1 57 57 ILE CA C 54 66.000 66.000 62.229 3.771 18318 4863 1 12 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.489 1.211 18318 4864 1 12 . 1 1 57 57 ILE H H 54 7.820 7.820 8.073 -0.253 18318 4865 1 12 . 1 1 58 58 ARG N N 55 118.900 118.900 120.561 -1.661 18318 4866 1 12 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.965 0.345 18318 4867 1 12 . 1 1 58 58 ARG C C 55 178.600 178.600 178.978 -0.378 18318 4868 1 12 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.967 0.933 18318 4869 1 12 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.590 1.911 18318 4870 1 12 . 1 1 58 58 ARG H H 55 8.250 8.250 7.851 0.399 18318 4871 1 12 . 1 1 59 59 GLN N N 56 115.800 115.800 117.090 -1.290 18318 4872 1 12 . 1 1 59 59 GLN C C 56 178.100 178.100 177.152 0.948 18318 4873 1 12 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.566 -0.566 18318 4874 1 12 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.766 0.034 18318 4875 1 12 . 1 1 59 59 GLN H H 56 7.920 7.920 7.545 0.375 18318 4876 1 12 . 1 1 60 60 ALA N N 57 121.600 121.600 120.222 1.378 18318 4877 1 12 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.161 0.019 18318 4878 1 12 . 1 1 60 60 ALA C C 57 179.600 179.600 179.330 0.270 18318 4879 1 12 . 1 1 60 60 ALA CA C 57 54.500 54.500 54.205 0.295 18318 4880 1 12 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.043 -0.143 18318 4881 1 12 . 1 1 60 60 ALA H H 57 8.490 8.490 7.380 1.110 18318 4882 1 12 . 1 1 61 61 CYS N N 58 114.000 114.000 116.506 -2.506 18318 4883 1 12 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.490 0.640 18318 4884 1 12 . 1 1 61 61 CYS C C 58 175.000 175.000 174.611 0.389 18318 4885 1 12 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.338 -6.638 18318 4886 1 12 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.519 15.281 18318 4887 1 12 . 1 1 61 61 CYS H H 58 8.370 8.370 7.726 0.644 18318 4888 1 12 . 1 1 62 62 ALA N N 59 124.900 124.900 126.964 -2.064 18318 4889 1 12 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.435 -0.165 18318 4890 1 12 . 1 1 62 62 ALA C C 59 179.200 179.200 178.715 0.485 18318 4891 1 12 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.230 3.270 18318 4892 1 12 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.600 -0.800 18318 4893 1 12 . 1 1 62 62 ALA H H 59 7.200 7.200 8.290 -1.090 18318 4894 1 12 . 1 1 63 63 GLN N N 60 115.800 115.800 119.261 -3.461 18318 4895 1 12 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.201 0.279 18318 4896 1 12 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.328 0.872 18318 4897 1 12 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.343 -1.643 18318 4898 1 12 . 1 1 63 63 GLN H H 60 9.040 9.040 8.948 0.092 18318 4899 1 12 . 1 1 64 64 PRO C C 61 179.700 179.700 178.137 1.563 18318 4900 1 12 . 1 1 64 64 PRO CA C 61 65.600 65.600 64.798 0.802 18318 4901 1 12 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.209 -0.409 18318 4902 1 12 . 1 1 65 65 PHE N N 62 120.500 120.500 121.425 -0.925 18318 4903 1 12 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.760 -0.480 18318 4904 1 12 . 1 1 65 65 PHE C C 62 176.400 176.400 177.255 -0.855 18318 4905 1 12 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.287 2.113 18318 4906 1 12 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.806 -1.206 18318 4907 1 12 . 1 1 65 65 PHE H H 62 8.500 8.500 7.284 1.216 18318 4908 1 12 . 1 1 66 66 GLU N N 63 120.200 120.200 120.514 -0.314 18318 4909 1 12 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.035 -0.005 18318 4910 1 12 . 1 1 66 66 GLU C C 63 179.300 179.300 178.804 0.496 18318 4911 1 12 . 1 1 66 66 GLU CA C 63 59.200 59.200 60.007 -0.807 18318 4912 1 12 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.742 -1.242 18318 4913 1 12 . 1 1 66 66 GLU H H 63 8.900 8.900 8.653 0.247 18318 4914 1 12 . 1 1 67 67 ALA N N 64 120.600 120.600 121.676 -1.076 18318 4915 1 12 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.989 -0.119 18318 4916 1 12 . 1 1 67 67 ALA C C 64 180.500 180.500 179.920 0.580 18318 4917 1 12 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.110 -0.410 18318 4918 1 12 . 1 1 67 67 ALA CB C 64 18.100 18.100 17.943 0.157 18318 4919 1 12 . 1 1 67 67 ALA H H 64 8.150 8.150 7.415 0.735 18318 4920 1 12 . 1 1 68 68 PHE N N 65 120.000 120.000 117.164 2.836 18318 4921 1 12 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.149 0.171 18318 4922 1 12 . 1 1 68 68 PHE C C 65 175.400 175.400 177.920 -2.520 18318 4923 1 12 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.164 -0.364 18318 4924 1 12 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.155 -0.155 18318 4925 1 12 . 1 1 68 68 PHE H H 65 7.810 7.810 7.194 0.616 18318 4926 1 12 . 1 1 69 69 GLU N N 66 119.400 119.400 118.790 0.610 18318 4927 1 12 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.939 0.231 18318 4928 1 12 . 1 1 69 69 GLU C C 66 178.800 178.800 178.939 -0.139 18318 4929 1 12 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.981 1.219 18318 4930 1 12 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.194 -0.094 18318 4931 1 12 . 1 1 69 69 GLU H H 66 8.330 8.330 8.309 0.021 18318 4932 1 12 . 1 1 70 70 GLU N N 67 118.600 118.600 118.561 0.039 18318 4933 1 12 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.263 -0.293 18318 4934 1 12 . 1 1 70 70 GLU C C 67 177.700 177.700 178.106 -0.406 18318 4935 1 12 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.725 0.075 18318 4936 1 12 . 1 1 70 70 GLU CB C 67 28.700 28.700 30.026 -1.326 18318 4937 1 12 . 1 1 70 70 GLU H H 67 8.240 8.240 7.933 0.307 18318 4938 1 12 . 1 1 71 71 CYS N N 68 119.100 119.100 120.283 -1.183 18318 4939 1 12 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.235 -0.155 18318 4940 1 12 . 1 1 71 71 CYS C C 68 177.900 177.900 177.516 0.384 18318 4941 1 12 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.448 -2.848 18318 4942 1 12 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.616 12.384 18318 4943 1 12 . 1 1 71 71 CYS H H 68 7.580 7.580 7.875 -0.295 18318 4944 1 12 . 1 1 72 72 LEU N N 69 122.000 122.000 117.542 4.458 18318 4945 1 12 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.219 -0.519 18318 4946 1 12 . 1 1 72 72 LEU C C 69 179.300 179.300 178.729 0.571 18318 4947 1 12 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.999 0.601 18318 4948 1 12 . 1 1 72 72 LEU CB C 69 41.000 41.000 40.969 0.031 18318 4949 1 12 . 1 1 72 72 LEU H H 69 8.090 8.090 7.663 0.427 18318 4950 1 12 . 1 1 73 73 ARG N N 70 117.400 117.400 118.966 -1.566 18318 4951 1 12 . 1 1 73 73 ARG HA H 70 4.010 4.010 4.072 -0.062 18318 4952 1 12 . 1 1 73 73 ARG C C 70 178.500 178.500 178.378 0.122 18318 4953 1 12 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.810 -0.110 18318 4954 1 12 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.349 -0.249 18318 4955 1 12 . 1 1 73 73 ARG H H 70 7.600 7.600 7.373 0.227 18318 4956 1 12 . 1 1 74 74 GLN N N 71 115.800 115.800 115.944 -0.144 18318 4957 1 12 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.401 -0.111 18318 4958 1 12 . 1 1 74 74 GLN C C 71 176.200 176.200 176.672 -0.472 18318 4959 1 12 . 1 1 74 74 GLN CA C 71 56.400 56.400 57.459 -1.059 18318 4960 1 12 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.487 -1.287 18318 4961 1 12 . 1 1 74 74 GLN H H 71 7.580 7.580 8.183 -0.603 18318 4962 1 12 . 1 1 75 75 ASN N N 72 118.600 118.600 117.832 0.768 18318 4963 1 12 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.938 0.052 18318 4964 1 12 . 1 1 75 75 ASN C C 72 174.800 174.800 175.779 -0.979 18318 4965 1 12 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.380 0.620 18318 4966 1 12 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.236 1.565 18318 4967 1 12 . 1 1 75 75 ASN H H 72 7.750 7.750 8.008 -0.258 18318 4968 1 12 . 1 1 76 76 GLU N N 73 120.200 120.200 122.269 -2.069 18318 4969 1 12 . 1 1 76 76 GLU HA H 73 3.960 3.960 4.008 -0.048 18318 4970 1 12 . 1 1 76 76 GLU C C 73 176.800 176.800 177.388 -0.588 18318 4971 1 12 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.597 -0.397 18318 4972 1 12 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.666 -0.566 18318 4973 1 12 . 1 1 76 76 GLU H H 73 7.950 7.950 8.071 -0.121 18318 4974 1 12 . 1 1 77 77 ALA N N 74 119.200 119.200 118.487 0.713 18318 4975 1 12 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.393 -0.033 18318 4976 1 12 . 1 1 77 77 ALA C C 74 175.400 175.400 177.447 -2.047 18318 4977 1 12 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.512 -0.412 18318 4978 1 12 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.443 -0.243 18318 4979 1 12 . 1 1 77 77 ALA H H 74 8.320 8.320 8.194 0.126 18318 4980 1 12 . 1 1 78 78 ALA N N 75 124.400 124.400 121.047 3.353 18318 4981 1 12 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.700 -0.320 18318 4982 1 12 . 1 1 78 78 ALA C C 75 177.200 177.200 178.147 -0.947 18318 4983 1 12 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.430 -0.030 18318 4984 1 12 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.146 -1.146 18318 4985 1 12 . 1 1 78 78 ALA H H 75 7.900 7.900 7.528 0.372 18318 4986 1 12 . 1 1 79 79 VAL N N 76 118.400 118.400 119.288 -0.888 18318 4987 1 12 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.865 -0.075 18318 4988 1 12 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.455 0.645 18318 4989 1 12 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.305 -0.005 18318 4990 1 12 . 1 1 79 79 VAL H H 76 8.100 8.100 7.408 0.692 18318 4991 1 12 . 1 1 80 80 GLY C C 77 175.900 175.900 175.353 0.547 18318 4992 1 12 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.629 -0.229 18318 4993 1 12 . 1 1 81 81 ASN N N 78 119.300 119.300 118.124 1.176 18318 4994 1 12 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.849 -0.249 18318 4995 1 12 . 1 1 81 81 ASN C C 78 176.700 176.700 175.534 1.166 18318 4996 1 12 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.371 0.129 18318 4997 1 12 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.614 -3.314 18318 4998 1 12 . 1 1 81 81 ASN H H 78 8.200 8.200 7.849 0.351 18318 4999 1 12 . 1 1 82 82 CYS N N 79 117.200 117.200 117.287 -0.087 18318 5000 1 12 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.839 0.561 18318 5001 1 12 . 1 1 82 82 CYS C C 79 175.800 175.800 173.401 2.399 18318 5002 1 12 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.727 -2.228 18318 5003 1 12 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.710 9.590 18318 5004 1 12 . 1 1 82 82 CYS H H 79 8.330 8.330 7.686 0.644 18318 5005 1 12 . 1 1 83 83 ALA N N 80 125.000 125.000 125.240 -0.240 18318 5006 1 12 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.497 -0.347 18318 5007 1 12 . 1 1 83 83 ALA C C 80 179.900 179.900 177.985 1.915 18318 5008 1 12 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.640 4.560 18318 5009 1 12 . 1 1 83 83 ALA CB C 80 18.200 18.200 20.087 -1.887 18318 5010 1 12 . 1 1 83 83 ALA H H 80 7.700 7.700 8.338 -0.638 18318 5011 1 12 . 1 1 84 84 GLU N N 81 118.900 118.900 125.558 -6.658 18318 5012 1 12 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.038 -0.088 18318 5013 1 12 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.827 0.173 18318 5014 1 12 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.217 -0.317 18318 5015 1 12 . 1 1 84 84 GLU H H 81 8.920 8.920 8.925 -0.005 18318 5016 1 12 . 1 1 85 85 HIS C C 82 178.500 178.500 177.548 0.952 18318 5017 1 12 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.215 -2.115 18318 5018 1 12 . 1 1 86 86 MET N N 83 118.800 118.800 117.923 0.877 18318 5019 1 12 . 1 1 86 86 MET C C 83 177.200 177.200 178.407 -1.207 18318 5020 1 12 . 1 1 86 86 MET CA C 83 58.900 58.900 58.396 0.504 18318 5021 1 12 . 1 1 86 86 MET CB C 83 31.300 31.300 31.785 -0.485 18318 5022 1 12 . 1 1 86 86 MET H H 83 7.460 7.460 8.519 -1.059 18318 5023 1 12 . 1 1 87 87 ARG N N 84 119.500 119.500 117.330 2.170 18318 5024 1 12 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.785 0.125 18318 5025 1 12 . 1 1 87 87 ARG C C 84 178.600 178.600 178.183 0.417 18318 5026 1 12 . 1 1 87 87 ARG CA C 84 59.900 59.900 57.596 2.304 18318 5027 1 12 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.536 0.964 18318 5028 1 12 . 1 1 87 87 ARG H H 84 8.220 8.220 7.362 0.858 18318 5029 1 12 . 1 1 88 88 ARG N N 85 117.900 117.900 119.312 -1.412 18318 5030 1 12 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.988 -0.068 18318 5031 1 12 . 1 1 88 88 ARG C C 85 179.700 179.700 178.957 0.743 18318 5032 1 12 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.926 0.574 18318 5033 1 12 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.539 0.461 18318 5034 1 12 . 1 1 88 88 ARG H H 85 8.100 8.100 7.685 0.415 18318 5035 1 12 . 1 1 89 89 PHE N N 86 119.700 119.700 117.044 2.656 18318 5036 1 12 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.404 -0.054 18318 5037 1 12 . 1 1 89 89 PHE C C 86 175.600 175.600 177.898 -2.298 18318 5038 1 12 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.220 0.880 18318 5039 1 12 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.954 -1.154 18318 5040 1 12 . 1 1 89 89 PHE H H 86 7.930 7.930 8.011 -0.081 18318 5041 1 12 . 1 1 90 90 LEU N N 87 120.400 120.400 121.213 -0.813 18318 5042 1 12 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.011 -0.301 18318 5043 1 12 . 1 1 90 90 LEU C C 87 179.200 179.200 178.096 1.104 18318 5044 1 12 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.331 -0.631 18318 5045 1 12 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.045 -1.745 18318 5046 1 12 . 1 1 90 90 LEU H H 87 8.640 8.640 7.255 1.385 18318 5047 1 12 . 1 1 91 91 GLN N N 88 118.200 118.200 118.451 -0.251 18318 5048 1 12 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.144 -0.104 18318 5049 1 12 . 1 1 91 91 GLN C C 88 178.000 178.000 178.536 -0.536 18318 5050 1 12 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.129 -0.429 18318 5051 1 12 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.087 -0.087 18318 5052 1 12 . 1 1 91 91 GLN H H 88 8.380 8.380 8.811 -0.431 18318 5053 1 12 . 1 1 92 92 CYS N N 89 119.000 119.000 116.267 2.733 18318 5054 1 12 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.612 -0.562 18318 5055 1 12 . 1 1 92 92 CYS C C 89 176.600 176.600 177.070 -0.470 18318 5056 1 12 . 1 1 92 92 CYS CA C 89 60.100 60.100 59.908 0.192 18318 5057 1 12 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.805 13.695 18318 5058 1 12 . 1 1 92 92 CYS H H 89 7.390 7.390 8.016 -0.626 18318 5059 1 12 . 1 1 93 93 ALA N N 90 122.900 122.900 123.234 -0.334 18318 5060 1 12 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.140 -0.230 18318 5061 1 12 . 1 1 93 93 ALA C C 90 179.200 179.200 178.636 0.564 18318 5062 1 12 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.707 -0.007 18318 5063 1 12 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.461 -0.661 18318 5064 1 12 . 1 1 93 93 ALA H H 90 8.410 8.410 7.225 1.185 18318 5065 1 12 . 1 1 94 94 GLU N N 91 115.800 115.800 117.388 -1.588 18318 5066 1 12 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.086 0.064 18318 5067 1 12 . 1 1 94 94 GLU C C 91 177.400 177.400 178.966 -1.566 18318 5068 1 12 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.635 -0.735 18318 5069 1 12 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.988 -0.588 18318 5070 1 12 . 1 1 94 94 GLU H H 91 7.880 7.880 8.217 -0.337 18318 5071 1 12 . 1 1 95 95 GLN N N 92 115.500 115.500 118.289 -2.789 18318 5072 1 12 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.120 0.170 18318 5073 1 12 . 1 1 95 95 GLN C C 92 176.600 176.600 177.034 -0.434 18318 5074 1 12 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.563 -1.263 18318 5075 1 12 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.087 -0.187 18318 5076 1 12 . 1 1 95 95 GLN H H 92 7.450 7.450 7.997 -0.547 18318 5077 1 13 . 1 1 15 15 CYS N N 12 117.500 117.500 118.837 -1.337 18318 5078 1 13 . 1 1 15 15 CYS C C 12 175.500 175.500 175.719 -0.219 18318 5079 1 13 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.084 -4.384 18318 5080 1 13 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.852 5.848 18318 5081 1 13 . 1 1 15 15 CYS H H 12 8.280 8.280 8.913 -0.633 18318 5082 1 13 . 1 1 16 16 GLY N N 13 108.700 108.700 110.341 -1.641 18318 5083 1 13 . 1 1 16 16 GLY C C 13 176.600 176.600 174.942 1.658 18318 5084 1 13 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.393 1.507 18318 5085 1 13 . 1 1 16 16 GLY H H 13 8.080 8.080 8.960 -0.880 18318 5086 1 13 . 1 1 17 17 ARG N N 14 123.300 123.300 119.449 3.851 18318 5087 1 13 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.037 -0.077 18318 5088 1 13 . 1 1 17 17 ARG C C 14 179.300 179.300 177.360 1.940 18318 5089 1 13 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.398 0.802 18318 5090 1 13 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.876 0.224 18318 5091 1 13 . 1 1 17 17 ARG H H 14 8.630 8.630 8.407 0.223 18318 5092 1 13 . 1 1 18 18 GLU N N 15 121.900 121.900 119.492 2.408 18318 5093 1 13 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.267 -0.097 18318 5094 1 13 . 1 1 18 18 GLU C C 15 177.900 177.900 177.737 0.163 18318 5095 1 13 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.386 2.714 18318 5096 1 13 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.550 -1.350 18318 5097 1 13 . 1 1 18 18 GLU H H 15 9.670 9.670 7.618 2.052 18318 5098 1 13 . 1 1 19 19 LEU N N 16 119.400 119.400 121.598 -2.198 18318 5099 1 13 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.125 2.775 18318 5100 1 13 . 1 1 19 19 LEU H H 16 8.090 8.090 8.266 -0.176 18318 5101 1 13 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.048 -0.368 18318 5102 1 13 . 1 1 20 20 GLU C C 17 177.200 177.200 178.823 -1.623 18318 5103 1 13 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.870 -0.570 18318 5104 1 13 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.756 -0.756 18318 5105 1 13 . 1 1 21 21 GLN N N 18 118.500 118.500 118.566 -0.066 18318 5106 1 13 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.124 -0.084 18318 5107 1 13 . 1 1 21 21 GLN C C 18 177.200 177.200 178.671 -1.471 18318 5108 1 13 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.395 0.605 18318 5109 1 13 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.217 0.483 18318 5110 1 13 . 1 1 21 21 GLN H H 18 8.560 8.560 7.668 0.892 18318 5111 1 13 . 1 1 22 22 TYR N N 19 120.700 120.700 122.194 -1.494 18318 5112 1 13 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.508 -0.228 18318 5113 1 13 . 1 1 22 22 TYR C C 19 176.600 176.600 177.937 -1.337 18318 5114 1 13 . 1 1 22 22 TYR CA C 19 62.100 62.100 59.718 2.382 18318 5115 1 13 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.386 0.514 18318 5116 1 13 . 1 1 22 22 TYR H H 19 8.120 8.120 8.792 -0.672 18318 5117 1 13 . 1 1 23 23 GLY N N 20 105.600 105.600 107.298 -1.698 18318 5118 1 13 . 1 1 23 23 GLY C C 20 176.700 176.700 176.009 0.691 18318 5119 1 13 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.961 0.139 18318 5120 1 13 . 1 1 23 23 GLY H H 20 8.390 8.390 7.574 0.816 18318 5121 1 13 . 1 1 24 24 GLN N N 21 120.300 120.300 120.923 -0.623 18318 5122 1 13 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.075 -0.025 18318 5123 1 13 . 1 1 24 24 GLN C C 21 178.000 178.000 178.381 -0.381 18318 5124 1 13 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.894 -0.294 18318 5125 1 13 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.891 -1.291 18318 5126 1 13 . 1 1 24 24 GLN H H 21 8.130 8.130 7.710 0.420 18318 5127 1 13 . 1 1 25 25 CYS N N 22 121.500 121.500 118.141 3.359 18318 5128 1 13 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.479 -0.199 18318 5129 1 13 . 1 1 25 25 CYS C C 22 175.400 175.400 177.046 -1.646 18318 5130 1 13 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.741 -3.141 18318 5131 1 13 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.652 13.248 18318 5132 1 13 . 1 1 25 25 CYS H H 22 7.610 7.610 7.788 -0.178 18318 5133 1 13 . 1 1 26 26 VAL N N 23 119.900 119.900 118.397 1.503 18318 5134 1 13 . 1 1 26 26 VAL HA H 23 3.790 3.790 3.929 -0.139 18318 5135 1 13 . 1 1 26 26 VAL C C 23 177.100 177.100 177.105 -0.005 18318 5136 1 13 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.028 1.872 18318 5137 1 13 . 1 1 26 26 VAL CB C 23 29.300 29.300 30.354 -1.054 18318 5138 1 13 . 1 1 26 26 VAL H H 23 8.040 8.040 7.863 0.177 18318 5139 1 13 . 1 1 27 27 ALA N N 24 117.400 117.400 122.612 -5.212 18318 5140 1 13 . 1 1 27 27 ALA HA H 24 4.100 4.100 3.987 0.113 18318 5141 1 13 . 1 1 27 27 ALA C C 24 178.600 178.600 178.674 -0.074 18318 5142 1 13 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.489 -0.389 18318 5143 1 13 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.672 -0.772 18318 5144 1 13 . 1 1 27 27 ALA H H 24 7.430 7.430 7.899 -0.469 18318 5145 1 13 . 1 1 28 28 ALA N N 25 116.100 116.100 120.463 -4.363 18318 5146 1 13 . 1 1 28 28 ALA HA H 25 4.330 4.330 3.907 0.423 18318 5147 1 13 . 1 1 28 28 ALA C C 25 178.100 178.100 177.370 0.730 18318 5148 1 13 . 1 1 28 28 ALA CA C 25 52.600 52.600 52.897 -0.297 18318 5149 1 13 . 1 1 28 28 ALA CB C 25 19.100 19.100 18.846 0.254 18318 5150 1 13 . 1 1 28 28 ALA H H 25 7.120 7.120 7.474 -0.354 18318 5151 1 13 . 1 1 29 29 LYS N N 26 119.200 119.200 114.620 4.580 18318 5152 1 13 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.479 5.221 18318 5153 1 13 . 1 1 29 29 LYS CB C 26 32.100 32.100 35.057 -2.957 18318 5154 1 13 . 1 1 29 29 LYS H H 26 7.560 7.560 7.448 0.112 18318 5155 1 13 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.349 -0.139 18318 5156 1 13 . 1 1 30 30 PRO C C 27 177.000 177.000 177.149 -0.149 18318 5157 1 13 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.039 0.861 18318 5158 1 13 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.160 -0.560 18318 5159 1 13 . 1 1 31 31 GLU N N 28 114.600 114.600 117.805 -3.205 18318 5160 1 13 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.394 0.056 18318 5161 1 13 . 1 1 31 31 GLU C C 28 176.100 176.100 178.707 -2.607 18318 5162 1 13 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.220 -1.020 18318 5163 1 13 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.740 -0.140 18318 5164 1 13 . 1 1 31 31 GLU H H 28 8.770 8.770 8.367 0.403 18318 5165 1 13 . 1 1 32 32 SER N N 29 111.000 111.000 116.810 -5.810 18318 5166 1 13 . 1 1 32 32 SER HA H 29 4.510 4.510 4.302 0.208 18318 5167 1 13 . 1 1 32 32 SER C C 29 176.600 176.600 176.698 -0.098 18318 5168 1 13 . 1 1 32 32 SER CA C 29 58.500 58.500 62.187 -3.687 18318 5169 1 13 . 1 1 32 32 SER CB C 29 63.800 63.800 62.972 0.827 18318 5170 1 13 . 1 1 32 32 SER H H 29 7.750 7.750 8.363 -0.613 18318 5171 1 13 . 1 1 33 33 TRP N N 30 125.000 125.000 120.539 4.461 18318 5172 1 13 . 1 1 33 33 TRP C C 30 177.200 177.200 178.004 -0.804 18318 5173 1 13 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.399 0.601 18318 5174 1 13 . 1 1 33 33 TRP CB C 30 29.500 29.500 29.341 0.159 18318 5175 1 13 . 1 1 33 33 TRP H H 30 7.820 7.820 8.887 -1.067 18318 5176 1 13 . 1 1 34 34 GLN N N 31 123.600 123.600 119.292 4.308 18318 5177 1 13 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.062 0.388 18318 5178 1 13 . 1 1 34 34 GLN C C 31 176.800 176.800 178.636 -1.836 18318 5179 1 13 . 1 1 34 34 GLN CA C 31 59.900 59.900 59.633 0.267 18318 5180 1 13 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.032 -1.532 18318 5181 1 13 . 1 1 34 34 GLN H H 31 8.240 8.240 8.415 -0.175 18318 5182 1 13 . 1 1 35 35 ARG N N 32 115.900 115.900 118.946 -3.046 18318 5183 1 13 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.104 0.176 18318 5184 1 13 . 1 1 35 35 ARG C C 32 178.900 178.900 177.775 1.125 18318 5185 1 13 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.989 -1.589 18318 5186 1 13 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.108 1.192 18318 5187 1 13 . 1 1 35 35 ARG H H 32 7.450 7.450 7.617 -0.167 18318 5188 1 13 . 1 1 36 36 ASP N N 33 117.700 117.700 118.584 -0.884 18318 5189 1 13 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.363 -0.223 18318 5190 1 13 . 1 1 36 36 ASP C C 33 177.600 177.600 176.256 1.344 18318 5191 1 13 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.925 0.275 18318 5192 1 13 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.210 -0.310 18318 5193 1 13 . 1 1 36 36 ASP H H 33 8.760 8.760 7.972 0.788 18318 5194 1 13 . 1 1 37 37 CYS N N 34 113.300 113.300 116.767 -3.467 18318 5195 1 13 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.869 0.531 18318 5196 1 13 . 1 1 37 37 CYS C C 34 175.800 175.800 175.255 0.545 18318 5197 1 13 . 1 1 37 37 CYS CA C 34 53.100 53.100 55.874 -2.774 18318 5198 1 13 . 1 1 37 37 CYS CB C 34 39.500 39.500 27.005 12.495 18318 5199 1 13 . 1 1 37 37 CYS H H 34 8.260 8.260 7.551 0.709 18318 5200 1 13 . 1 1 38 38 HIS N N 35 124.200 124.200 121.781 2.419 18318 5201 1 13 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.477 -0.127 18318 5202 1 13 . 1 1 38 38 HIS C C 35 177.400 177.400 175.731 1.669 18318 5203 1 13 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.133 2.867 18318 5204 1 13 . 1 1 38 38 HIS CB C 35 30.600 30.600 29.755 0.845 18318 5205 1 13 . 1 1 38 38 HIS H H 35 7.520 7.520 8.197 -0.677 18318 5206 1 13 . 1 1 39 39 TYR N N 36 117.100 117.100 121.268 -4.168 18318 5207 1 13 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.343 -0.043 18318 5208 1 13 . 1 1 39 39 TYR C C 36 177.700 177.700 177.276 0.424 18318 5209 1 13 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.189 -0.589 18318 5210 1 13 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.202 -2.002 18318 5211 1 13 . 1 1 39 39 TYR H H 36 8.930 8.930 7.574 1.356 18318 5212 1 13 . 1 1 40 40 LEU N N 37 122.000 122.000 119.459 2.541 18318 5213 1 13 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.048 0.122 18318 5214 1 13 . 1 1 40 40 LEU C C 37 179.400 179.400 179.071 0.329 18318 5215 1 13 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.778 -1.278 18318 5216 1 13 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.267 1.133 18318 5217 1 13 . 1 1 40 40 LEU H H 37 6.940 6.940 8.223 -1.283 18318 5218 1 13 . 1 1 41 41 LYS N N 38 125.300 125.300 117.581 7.719 18318 5219 1 13 . 1 1 41 41 LYS C C 38 179.600 179.600 178.159 1.441 18318 5220 1 13 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.469 1.131 18318 5221 1 13 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.386 -1.386 18318 5222 1 13 . 1 1 41 41 LYS H H 38 7.880 7.880 7.772 0.108 18318 5223 1 13 . 1 1 42 42 MET N N 39 117.600 117.600 119.669 -2.069 18318 5224 1 13 . 1 1 42 42 MET HA H 39 4.120 4.120 4.259 -0.139 18318 5225 1 13 . 1 1 42 42 MET C C 39 178.900 178.900 177.937 0.963 18318 5226 1 13 . 1 1 42 42 MET CA C 39 57.200 57.200 57.740 -0.540 18318 5227 1 13 . 1 1 42 42 MET CB C 39 30.000 30.000 32.892 -2.892 18318 5228 1 13 . 1 1 42 42 MET H H 39 8.090 8.090 7.737 0.353 18318 5229 1 13 . 1 1 43 43 SER N N 40 115.900 115.900 115.670 0.230 18318 5230 1 13 . 1 1 43 43 SER HA H 40 4.290 4.290 4.088 0.202 18318 5231 1 13 . 1 1 43 43 SER C C 40 177.400 177.400 176.845 0.555 18318 5232 1 13 . 1 1 43 43 SER CA C 40 61.700 61.700 62.057 -0.357 18318 5233 1 13 . 1 1 43 43 SER CB C 40 62.500 62.500 62.963 -0.463 18318 5234 1 13 . 1 1 43 43 SER H H 40 7.600 7.600 8.531 -0.931 18318 5235 1 13 . 1 1 44 44 ILE N N 41 121.900 121.900 117.198 4.702 18318 5236 1 13 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.943 -0.403 18318 5237 1 13 . 1 1 44 44 ILE C C 41 177.500 177.500 177.288 0.212 18318 5238 1 13 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.216 1.884 18318 5239 1 13 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.457 0.443 18318 5240 1 13 . 1 1 44 44 ILE H H 41 7.540 7.540 7.253 0.287 18318 5241 1 13 . 1 1 45 45 ALA N N 42 122.600 122.600 122.803 -0.203 18318 5242 1 13 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.928 0.252 18318 5243 1 13 . 1 1 45 45 ALA C C 42 180.200 180.200 179.969 0.231 18318 5244 1 13 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.984 -0.184 18318 5245 1 13 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.041 -0.741 18318 5246 1 13 . 1 1 45 45 ALA H H 42 7.420 7.420 7.202 0.218 18318 5247 1 13 . 1 1 46 46 GLN N N 43 118.400 118.400 117.070 1.330 18318 5248 1 13 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.154 -0.184 18318 5249 1 13 . 1 1 46 46 GLN C C 43 178.500 178.500 178.144 0.356 18318 5250 1 13 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.051 0.649 18318 5251 1 13 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.451 -0.651 18318 5252 1 13 . 1 1 46 46 GLN H H 43 8.290 8.290 7.746 0.544 18318 5253 1 13 . 1 1 47 47 CYS N N 44 119.500 119.500 119.758 -0.258 18318 5254 1 13 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.061 0.029 18318 5255 1 13 . 1 1 47 47 CYS C C 44 176.500 176.500 176.923 -0.423 18318 5256 1 13 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.782 -2.482 18318 5257 1 13 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.459 13.441 18318 5258 1 13 . 1 1 47 47 CYS H H 44 7.590 7.590 7.661 -0.071 18318 5259 1 13 . 1 1 48 48 THR N N 45 113.000 113.000 115.449 -2.449 18318 5260 1 13 . 1 1 48 48 THR C C 45 175.900 175.900 175.818 0.082 18318 5261 1 13 . 1 1 48 48 THR CA C 45 65.400 65.400 64.778 0.622 18318 5262 1 13 . 1 1 48 48 THR CB C 45 68.800 68.800 68.322 0.478 18318 5263 1 13 . 1 1 48 48 THR H H 45 8.810 8.810 7.838 0.972 18318 5264 1 13 . 1 1 49 49 SER N N 46 113.200 113.200 116.052 -2.852 18318 5265 1 13 . 1 1 49 49 SER HA H 46 4.380 4.380 4.384 -0.004 18318 5266 1 13 . 1 1 49 49 SER C C 46 175.600 175.600 175.801 -0.201 18318 5267 1 13 . 1 1 49 49 SER CA C 46 60.000 60.000 60.831 -0.831 18318 5268 1 13 . 1 1 49 49 SER CB C 46 63.900 63.900 63.787 0.113 18318 5269 1 13 . 1 1 49 49 SER H H 46 7.890 7.890 7.660 0.230 18318 5270 1 13 . 1 1 50 50 SER N N 47 114.100 114.100 113.794 0.306 18318 5271 1 13 . 1 1 50 50 SER HA H 47 4.390 4.390 4.668 -0.278 18318 5272 1 13 . 1 1 50 50 SER CA C 47 59.100 59.100 58.689 0.411 18318 5273 1 13 . 1 1 50 50 SER CB C 47 64.800 64.800 65.430 -0.630 18318 5274 1 13 . 1 1 50 50 SER H H 47 7.770 7.770 8.050 -0.280 18318 5275 1 13 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.017 0.573 18318 5276 1 13 . 1 1 55 55 ARG C C 52 178.500 178.500 177.952 0.548 18318 5277 1 13 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.148 0.852 18318 5278 1 13 . 1 1 56 56 GLN N N 53 117.700 117.700 118.264 -0.564 18318 5279 1 13 . 1 1 56 56 GLN C C 53 175.000 175.000 178.206 -3.206 18318 5280 1 13 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.255 0.945 18318 5281 1 13 . 1 1 56 56 GLN H H 53 8.110 8.110 8.513 -0.403 18318 5282 1 13 . 1 1 57 57 ILE N N 54 121.200 121.200 117.886 3.314 18318 5283 1 13 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.808 -0.488 18318 5284 1 13 . 1 1 57 57 ILE C C 54 178.700 178.700 177.865 0.835 18318 5285 1 13 . 1 1 57 57 ILE CA C 54 66.000 66.000 62.745 3.255 18318 5286 1 13 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.188 0.512 18318 5287 1 13 . 1 1 57 57 ILE H H 54 7.820 7.820 7.953 -0.133 18318 5288 1 13 . 1 1 58 58 ARG N N 55 118.900 118.900 118.823 0.077 18318 5289 1 13 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.112 0.198 18318 5290 1 13 . 1 1 58 58 ARG C C 55 178.600 178.600 178.484 0.116 18318 5291 1 13 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.366 1.534 18318 5292 1 13 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.931 1.569 18318 5293 1 13 . 1 1 58 58 ARG H H 55 8.250 8.250 7.376 0.874 18318 5294 1 13 . 1 1 59 59 GLN N N 56 115.800 115.800 118.378 -2.578 18318 5295 1 13 . 1 1 59 59 GLN C C 56 178.100 178.100 176.548 1.552 18318 5296 1 13 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.086 -0.086 18318 5297 1 13 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.675 0.125 18318 5298 1 13 . 1 1 59 59 GLN H H 56 7.920 7.920 8.037 -0.117 18318 5299 1 13 . 1 1 60 60 ALA N N 57 121.600 121.600 120.037 1.563 18318 5300 1 13 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.295 -0.115 18318 5301 1 13 . 1 1 60 60 ALA C C 57 179.600 179.600 178.177 1.423 18318 5302 1 13 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.464 1.036 18318 5303 1 13 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.666 -0.766 18318 5304 1 13 . 1 1 60 60 ALA H H 57 8.490 8.490 7.547 0.943 18318 5305 1 13 . 1 1 61 61 CYS N N 58 114.000 114.000 118.124 -4.124 18318 5306 1 13 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.621 0.509 18318 5307 1 13 . 1 1 61 61 CYS C C 58 175.000 175.000 173.767 1.233 18318 5308 1 13 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.223 -6.523 18318 5309 1 13 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.585 14.215 18318 5310 1 13 . 1 1 61 61 CYS H H 58 8.370 8.370 7.593 0.777 18318 5311 1 13 . 1 1 62 62 ALA N N 59 124.900 124.900 127.521 -2.621 18318 5312 1 13 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.532 -0.262 18318 5313 1 13 . 1 1 62 62 ALA C C 59 179.200 179.200 178.917 0.283 18318 5314 1 13 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.641 2.859 18318 5315 1 13 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.867 -1.067 18318 5316 1 13 . 1 1 62 62 ALA H H 59 7.200 7.200 8.368 -1.168 18318 5317 1 13 . 1 1 63 63 GLN N N 60 115.800 115.800 119.991 -4.191 18318 5318 1 13 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.102 0.378 18318 5319 1 13 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.079 0.121 18318 5320 1 13 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.880 -2.179 18318 5321 1 13 . 1 1 63 63 GLN H H 60 9.040 9.040 8.751 0.289 18318 5322 1 13 . 1 1 64 64 PRO C C 61 179.700 179.700 178.126 1.574 18318 5323 1 13 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.404 0.196 18318 5324 1 13 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.139 -0.339 18318 5325 1 13 . 1 1 65 65 PHE N N 62 120.500 120.500 119.193 1.307 18318 5326 1 13 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.505 -0.225 18318 5327 1 13 . 1 1 65 65 PHE C C 62 176.400 176.400 176.998 -0.598 18318 5328 1 13 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.244 3.156 18318 5329 1 13 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.595 0.005 18318 5330 1 13 . 1 1 65 65 PHE H H 62 8.500 8.500 8.354 0.146 18318 5331 1 13 . 1 1 66 66 GLU N N 63 120.200 120.200 120.616 -0.416 18318 5332 1 13 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.645 0.385 18318 5333 1 13 . 1 1 66 66 GLU C C 63 179.300 179.300 178.514 0.786 18318 5334 1 13 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.631 -0.431 18318 5335 1 13 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.422 -0.922 18318 5336 1 13 . 1 1 66 66 GLU H H 63 8.900 8.900 8.150 0.750 18318 5337 1 13 . 1 1 67 67 ALA N N 64 120.600 120.600 122.471 -1.871 18318 5338 1 13 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.938 -0.068 18318 5339 1 13 . 1 1 67 67 ALA C C 64 180.500 180.500 179.693 0.807 18318 5340 1 13 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.853 -0.153 18318 5341 1 13 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.303 -0.203 18318 5342 1 13 . 1 1 67 67 ALA H H 64 8.150 8.150 7.304 0.846 18318 5343 1 13 . 1 1 68 68 PHE N N 65 120.000 120.000 116.745 3.255 18318 5344 1 13 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.257 0.063 18318 5345 1 13 . 1 1 68 68 PHE C C 65 175.400 175.400 177.541 -2.141 18318 5346 1 13 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.812 -0.012 18318 5347 1 13 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.333 -0.333 18318 5348 1 13 . 1 1 68 68 PHE H H 65 7.810 7.810 7.392 0.418 18318 5349 1 13 . 1 1 69 69 GLU N N 66 119.400 119.400 119.465 -0.065 18318 5350 1 13 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.606 0.564 18318 5351 1 13 . 1 1 69 69 GLU C C 66 178.800 178.800 178.963 -0.163 18318 5352 1 13 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.502 0.698 18318 5353 1 13 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.899 0.201 18318 5354 1 13 . 1 1 69 69 GLU H H 66 8.330 8.330 8.285 0.045 18318 5355 1 13 . 1 1 70 70 GLU N N 67 118.600 118.600 118.789 -0.189 18318 5356 1 13 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.078 -0.108 18318 5357 1 13 . 1 1 70 70 GLU C C 67 177.700 177.700 178.670 -0.970 18318 5358 1 13 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.918 -0.118 18318 5359 1 13 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.569 -0.869 18318 5360 1 13 . 1 1 70 70 GLU H H 67 8.240 8.240 8.296 -0.056 18318 5361 1 13 . 1 1 71 71 CYS N N 68 119.100 119.100 118.789 0.311 18318 5362 1 13 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.162 -0.082 18318 5363 1 13 . 1 1 71 71 CYS C C 68 177.900 177.900 177.326 0.574 18318 5364 1 13 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.209 -2.609 18318 5365 1 13 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.526 12.474 18318 5366 1 13 . 1 1 71 71 CYS H H 68 7.580 7.580 7.707 -0.127 18318 5367 1 13 . 1 1 72 72 LEU N N 69 122.000 122.000 118.336 3.664 18318 5368 1 13 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.195 -0.495 18318 5369 1 13 . 1 1 72 72 LEU C C 69 179.300 179.300 179.028 0.272 18318 5370 1 13 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.241 0.359 18318 5371 1 13 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.427 -0.427 18318 5372 1 13 . 1 1 72 72 LEU H H 69 8.090 8.090 7.584 0.506 18318 5373 1 13 . 1 1 73 73 ARG N N 70 117.400 117.400 119.761 -2.361 18318 5374 1 13 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.953 0.057 18318 5375 1 13 . 1 1 73 73 ARG C C 70 178.500 178.500 178.113 0.387 18318 5376 1 13 . 1 1 73 73 ARG CA C 70 58.700 58.700 59.016 -0.316 18318 5377 1 13 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.766 0.334 18318 5378 1 13 . 1 1 73 73 ARG H H 70 7.600 7.600 7.689 -0.089 18318 5379 1 13 . 1 1 74 74 GLN N N 71 115.800 115.800 115.463 0.337 18318 5380 1 13 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.440 -0.150 18318 5381 1 13 . 1 1 74 74 GLN C C 71 176.200 176.200 175.165 1.035 18318 5382 1 13 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.013 0.387 18318 5383 1 13 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.615 -1.415 18318 5384 1 13 . 1 1 74 74 GLN H H 71 7.580 7.580 7.659 -0.079 18318 5385 1 13 . 1 1 75 75 ASN N N 72 118.600 118.600 117.628 0.972 18318 5386 1 13 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.906 0.084 18318 5387 1 13 . 1 1 75 75 ASN C C 72 174.800 174.800 174.772 0.028 18318 5388 1 13 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.996 0.004 18318 5389 1 13 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.989 0.811 18318 5390 1 13 . 1 1 75 75 ASN H H 72 7.750 7.750 7.844 -0.094 18318 5391 1 13 . 1 1 76 76 GLU N N 73 120.200 120.200 122.891 -2.691 18318 5392 1 13 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.947 0.013 18318 5393 1 13 . 1 1 76 76 GLU C C 73 176.800 176.800 176.533 0.267 18318 5394 1 13 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.352 -0.152 18318 5395 1 13 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.717 -0.617 18318 5396 1 13 . 1 1 76 76 GLU H H 73 7.950 7.950 8.114 -0.164 18318 5397 1 13 . 1 1 77 77 ALA N N 74 119.200 119.200 119.461 -0.261 18318 5398 1 13 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.429 -0.069 18318 5399 1 13 . 1 1 77 77 ALA C C 74 175.400 175.400 176.984 -1.584 18318 5400 1 13 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.866 0.234 18318 5401 1 13 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.337 -0.137 18318 5402 1 13 . 1 1 77 77 ALA H H 74 8.320 8.320 8.011 0.309 18318 5403 1 13 . 1 1 78 78 ALA N N 75 124.400 124.400 122.424 1.976 18318 5404 1 13 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.701 -0.321 18318 5405 1 13 . 1 1 78 78 ALA C C 75 177.200 177.200 178.198 -0.998 18318 5406 1 13 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.727 -0.327 18318 5407 1 13 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.524 -1.524 18318 5408 1 13 . 1 1 78 78 ALA H H 75 7.900 7.900 7.468 0.432 18318 5409 1 13 . 1 1 79 79 VAL N N 76 118.400 118.400 118.847 -0.447 18318 5410 1 13 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.290 -0.500 18318 5411 1 13 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.903 1.197 18318 5412 1 13 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.193 0.107 18318 5413 1 13 . 1 1 79 79 VAL H H 76 8.100 8.100 8.191 -0.091 18318 5414 1 13 . 1 1 80 80 GLY C C 77 175.900 175.900 175.525 0.375 18318 5415 1 13 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.277 0.123 18318 5416 1 13 . 1 1 81 81 ASN N N 78 119.300 119.300 118.030 1.270 18318 5417 1 13 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.836 -0.236 18318 5418 1 13 . 1 1 81 81 ASN C C 78 176.700 176.700 174.704 1.996 18318 5419 1 13 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.559 -0.059 18318 5420 1 13 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.336 -3.036 18318 5421 1 13 . 1 1 81 81 ASN H H 78 8.200 8.200 7.792 0.408 18318 5422 1 13 . 1 1 82 82 CYS N N 79 117.200 117.200 115.280 1.920 18318 5423 1 13 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.865 0.535 18318 5424 1 13 . 1 1 82 82 CYS C C 79 175.800 175.800 173.136 2.664 18318 5425 1 13 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.724 -3.224 18318 5426 1 13 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.368 8.932 18318 5427 1 13 . 1 1 82 82 CYS H H 79 8.330 8.330 7.684 0.646 18318 5428 1 13 . 1 1 83 83 ALA N N 80 125.000 125.000 125.744 -0.744 18318 5429 1 13 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.425 -0.275 18318 5430 1 13 . 1 1 83 83 ALA C C 80 179.900 179.900 178.019 1.881 18318 5431 1 13 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.740 3.460 18318 5432 1 13 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.892 -1.692 18318 5433 1 13 . 1 1 83 83 ALA H H 80 7.700 7.700 8.533 -0.833 18318 5434 1 13 . 1 1 84 84 GLU N N 81 118.900 118.900 120.471 -1.571 18318 5435 1 13 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.918 0.032 18318 5436 1 13 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.326 0.674 18318 5437 1 13 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.175 -0.275 18318 5438 1 13 . 1 1 84 84 GLU H H 81 8.920 8.920 8.481 0.439 18318 5439 1 13 . 1 1 85 85 HIS C C 82 178.500 178.500 176.578 1.922 18318 5440 1 13 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.332 -2.232 18318 5441 1 13 . 1 1 86 86 MET N N 83 118.800 118.800 118.065 0.735 18318 5442 1 13 . 1 1 86 86 MET C C 83 177.200 177.200 178.279 -1.079 18318 5443 1 13 . 1 1 86 86 MET CA C 83 58.900 58.900 59.199 -0.299 18318 5444 1 13 . 1 1 86 86 MET CB C 83 31.300 31.300 32.562 -1.262 18318 5445 1 13 . 1 1 86 86 MET H H 83 7.460 7.460 7.568 -0.108 18318 5446 1 13 . 1 1 87 87 ARG N N 84 119.500 119.500 118.224 1.276 18318 5447 1 13 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.053 -0.143 18318 5448 1 13 . 1 1 87 87 ARG C C 84 178.600 178.600 178.388 0.212 18318 5449 1 13 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.525 1.375 18318 5450 1 13 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.535 -0.035 18318 5451 1 13 . 1 1 87 87 ARG H H 84 8.220 8.220 7.682 0.538 18318 5452 1 13 . 1 1 88 88 ARG N N 85 117.900 117.900 120.398 -2.498 18318 5453 1 13 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.030 -0.110 18318 5454 1 13 . 1 1 88 88 ARG C C 85 179.700 179.700 177.926 1.774 18318 5455 1 13 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.169 0.331 18318 5456 1 13 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.518 0.482 18318 5457 1 13 . 1 1 88 88 ARG H H 85 8.100 8.100 7.586 0.514 18318 5458 1 13 . 1 1 89 89 PHE N N 86 119.700 119.700 120.875 -1.175 18318 5459 1 13 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.113 0.237 18318 5460 1 13 . 1 1 89 89 PHE C C 86 175.600 175.600 177.277 -1.677 18318 5461 1 13 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.505 -0.405 18318 5462 1 13 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.015 -1.215 18318 5463 1 13 . 1 1 89 89 PHE H H 86 7.930 7.930 8.062 -0.132 18318 5464 1 13 . 1 1 90 90 LEU N N 87 120.400 120.400 119.621 0.779 18318 5465 1 13 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.038 -0.328 18318 5466 1 13 . 1 1 90 90 LEU C C 87 179.200 179.200 179.271 -0.071 18318 5467 1 13 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.994 -0.294 18318 5468 1 13 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.138 -0.838 18318 5469 1 13 . 1 1 90 90 LEU H H 87 8.640 8.640 7.601 1.039 18318 5470 1 13 . 1 1 91 91 GLN N N 88 118.200 118.200 118.473 -0.273 18318 5471 1 13 . 1 1 91 91 GLN HA H 88 4.040 4.040 3.971 0.069 18318 5472 1 13 . 1 1 91 91 GLN C C 88 178.000 178.000 178.523 -0.523 18318 5473 1 13 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.437 -0.737 18318 5474 1 13 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.695 -0.695 18318 5475 1 13 . 1 1 91 91 GLN H H 88 8.380 8.380 8.424 -0.044 18318 5476 1 13 . 1 1 92 92 CYS N N 89 119.000 119.000 119.308 -0.308 18318 5477 1 13 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.078 -0.028 18318 5478 1 13 . 1 1 92 92 CYS C C 89 176.600 176.600 177.047 -0.447 18318 5479 1 13 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.171 -2.071 18318 5480 1 13 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.787 13.713 18318 5481 1 13 . 1 1 92 92 CYS H H 89 7.390 7.390 8.353 -0.963 18318 5482 1 13 . 1 1 93 93 ALA N N 90 122.900 122.900 121.016 1.884 18318 5483 1 13 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.999 -0.089 18318 5484 1 13 . 1 1 93 93 ALA C C 90 179.200 179.200 178.176 1.024 18318 5485 1 13 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.454 0.246 18318 5486 1 13 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.289 -0.489 18318 5487 1 13 . 1 1 93 93 ALA H H 90 8.410 8.410 7.864 0.546 18318 5488 1 13 . 1 1 94 94 GLU N N 91 115.800 115.800 117.401 -1.601 18318 5489 1 13 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.170 -0.020 18318 5490 1 13 . 1 1 94 94 GLU C C 91 177.400 177.400 178.202 -0.802 18318 5491 1 13 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.760 0.140 18318 5492 1 13 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.960 -0.560 18318 5493 1 13 . 1 1 94 94 GLU H H 91 7.880 7.880 7.539 0.341 18318 5494 1 13 . 1 1 95 95 GLN N N 92 115.500 115.500 118.935 -3.435 18318 5495 1 13 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.101 0.189 18318 5496 1 13 . 1 1 95 95 GLN C C 92 176.600 176.600 176.735 -0.135 18318 5497 1 13 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.819 -1.518 18318 5498 1 13 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.160 -0.260 18318 5499 1 13 . 1 1 95 95 GLN H H 92 7.450 7.450 7.722 -0.272 18318 5500 1 14 . 1 1 15 15 CYS N N 12 117.500 117.500 119.505 -2.005 18318 5501 1 14 . 1 1 15 15 CYS C C 12 175.500 175.500 175.534 -0.034 18318 5502 1 14 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.212 -4.511 18318 5503 1 14 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.618 7.082 18318 5504 1 14 . 1 1 15 15 CYS H H 12 8.280 8.280 8.783 -0.503 18318 5505 1 14 . 1 1 16 16 GLY N N 13 108.700 108.700 107.918 0.782 18318 5506 1 14 . 1 1 16 16 GLY C C 13 176.600 176.600 175.505 1.095 18318 5507 1 14 . 1 1 16 16 GLY CA C 13 47.900 47.900 44.883 3.017 18318 5508 1 14 . 1 1 16 16 GLY H H 13 8.080 8.080 8.681 -0.601 18318 5509 1 14 . 1 1 17 17 ARG N N 14 123.300 123.300 120.677 2.623 18318 5510 1 14 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.041 -0.081 18318 5511 1 14 . 1 1 17 17 ARG C C 14 179.300 179.300 177.428 1.872 18318 5512 1 14 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.760 0.440 18318 5513 1 14 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.997 0.103 18318 5514 1 14 . 1 1 17 17 ARG H H 14 8.630 8.630 8.550 0.080 18318 5515 1 14 . 1 1 18 18 GLU N N 15 121.900 121.900 119.670 2.230 18318 5516 1 14 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.148 0.022 18318 5517 1 14 . 1 1 18 18 GLU C C 15 177.900 177.900 178.662 -0.762 18318 5518 1 14 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.945 2.155 18318 5519 1 14 . 1 1 18 18 GLU CB C 15 28.200 28.200 27.945 0.256 18318 5520 1 14 . 1 1 18 18 GLU H H 15 9.670 9.670 8.506 1.164 18318 5521 1 14 . 1 1 19 19 LEU N N 16 119.400 119.400 120.681 -1.281 18318 5522 1 14 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.406 2.494 18318 5523 1 14 . 1 1 19 19 LEU H H 16 8.090 8.090 7.524 0.566 18318 5524 1 14 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.052 -0.372 18318 5525 1 14 . 1 1 20 20 GLU C C 17 177.200 177.200 179.257 -2.057 18318 5526 1 14 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.773 -0.473 18318 5527 1 14 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.709 -0.709 18318 5528 1 14 . 1 1 21 21 GLN N N 18 118.500 118.500 118.400 0.100 18318 5529 1 14 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.205 -0.165 18318 5530 1 14 . 1 1 21 21 GLN C C 18 177.200 177.200 178.558 -1.358 18318 5531 1 14 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.093 0.907 18318 5532 1 14 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.901 -0.201 18318 5533 1 14 . 1 1 21 21 GLN H H 18 8.560 8.560 7.786 0.774 18318 5534 1 14 . 1 1 22 22 TYR N N 19 120.700 120.700 121.516 -0.816 18318 5535 1 14 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.495 -0.215 18318 5536 1 14 . 1 1 22 22 TYR C C 19 176.600 176.600 178.141 -1.541 18318 5537 1 14 . 1 1 22 22 TYR CA C 19 62.100 62.100 61.026 1.074 18318 5538 1 14 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.289 0.611 18318 5539 1 14 . 1 1 22 22 TYR H H 19 8.120 8.120 9.082 -0.962 18318 5540 1 14 . 1 1 23 23 GLY N N 20 105.600 105.600 107.024 -1.424 18318 5541 1 14 . 1 1 23 23 GLY C C 20 176.700 176.700 176.075 0.625 18318 5542 1 14 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.766 0.334 18318 5543 1 14 . 1 1 23 23 GLY H H 20 8.390 8.390 7.649 0.741 18318 5544 1 14 . 1 1 24 24 GLN N N 21 120.300 120.300 121.241 -0.941 18318 5545 1 14 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.207 -0.157 18318 5546 1 14 . 1 1 24 24 GLN C C 21 178.000 178.000 178.352 -0.352 18318 5547 1 14 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.781 -0.181 18318 5548 1 14 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.695 -1.095 18318 5549 1 14 . 1 1 24 24 GLN H H 21 8.130 8.130 7.689 0.441 18318 5550 1 14 . 1 1 25 25 CYS N N 22 121.500 121.500 118.055 3.445 18318 5551 1 14 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.538 -0.258 18318 5552 1 14 . 1 1 25 25 CYS C C 22 175.400 175.400 177.883 -2.483 18318 5553 1 14 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.927 -2.327 18318 5554 1 14 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.682 13.218 18318 5555 1 14 . 1 1 25 25 CYS H H 22 7.610 7.610 8.553 -0.943 18318 5556 1 14 . 1 1 26 26 VAL N N 23 119.900 119.900 118.743 1.157 18318 5557 1 14 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.125 -0.335 18318 5558 1 14 . 1 1 26 26 VAL C C 23 177.100 177.100 176.952 0.148 18318 5559 1 14 . 1 1 26 26 VAL CA C 23 65.900 65.900 63.986 1.914 18318 5560 1 14 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.053 -1.753 18318 5561 1 14 . 1 1 26 26 VAL H H 23 8.040 8.040 7.599 0.441 18318 5562 1 14 . 1 1 27 27 ALA N N 24 117.400 117.400 121.680 -4.280 18318 5563 1 14 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.107 -0.007 18318 5564 1 14 . 1 1 27 27 ALA C C 24 178.600 178.600 178.964 -0.364 18318 5565 1 14 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.602 -0.502 18318 5566 1 14 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.608 -0.708 18318 5567 1 14 . 1 1 27 27 ALA H H 24 7.430 7.430 7.540 -0.110 18318 5568 1 14 . 1 1 28 28 ALA N N 25 116.100 116.100 121.174 -5.074 18318 5569 1 14 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.162 0.168 18318 5570 1 14 . 1 1 28 28 ALA C C 25 178.100 178.100 177.784 0.316 18318 5571 1 14 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.889 -1.289 18318 5572 1 14 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.590 -0.490 18318 5573 1 14 . 1 1 28 28 ALA H H 25 7.120 7.120 7.918 -0.798 18318 5574 1 14 . 1 1 29 29 LYS N N 26 119.200 119.200 113.331 5.869 18318 5575 1 14 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.191 5.509 18318 5576 1 14 . 1 1 29 29 LYS CB C 26 32.100 32.100 33.017 -0.918 18318 5577 1 14 . 1 1 29 29 LYS H H 26 7.560 7.560 7.399 0.161 18318 5578 1 14 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.303 -0.093 18318 5579 1 14 . 1 1 30 30 PRO C C 27 177.000 177.000 177.595 -0.595 18318 5580 1 14 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.514 0.386 18318 5581 1 14 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.030 -0.430 18318 5582 1 14 . 1 1 31 31 GLU N N 28 114.600 114.600 117.881 -3.281 18318 5583 1 14 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.381 0.069 18318 5584 1 14 . 1 1 31 31 GLU C C 28 176.100 176.100 179.040 -2.940 18318 5585 1 14 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.431 -1.231 18318 5586 1 14 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.911 0.689 18318 5587 1 14 . 1 1 31 31 GLU H H 28 8.770 8.770 8.660 0.110 18318 5588 1 14 . 1 1 32 32 SER N N 29 111.000 111.000 114.807 -3.807 18318 5589 1 14 . 1 1 32 32 SER HA H 29 4.510 4.510 4.251 0.259 18318 5590 1 14 . 1 1 32 32 SER C C 29 176.600 176.600 175.965 0.635 18318 5591 1 14 . 1 1 32 32 SER CA C 29 58.500 58.500 60.122 -1.622 18318 5592 1 14 . 1 1 32 32 SER CB C 29 63.800 63.800 62.533 1.267 18318 5593 1 14 . 1 1 32 32 SER H H 29 7.750 7.750 8.556 -0.806 18318 5594 1 14 . 1 1 33 33 TRP N N 30 125.000 125.000 120.711 4.289 18318 5595 1 14 . 1 1 33 33 TRP C C 30 177.200 177.200 177.086 0.114 18318 5596 1 14 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.612 0.388 18318 5597 1 14 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.580 0.920 18318 5598 1 14 . 1 1 33 33 TRP H H 30 7.820 7.820 7.353 0.467 18318 5599 1 14 . 1 1 34 34 GLN N N 31 123.600 123.600 119.137 4.463 18318 5600 1 14 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.013 1.437 18318 5601 1 14 . 1 1 34 34 GLN C C 31 176.800 176.800 177.487 -0.687 18318 5602 1 14 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.722 2.178 18318 5603 1 14 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.383 -1.883 18318 5604 1 14 . 1 1 34 34 GLN H H 31 8.240 8.240 7.117 1.123 18318 5605 1 14 . 1 1 35 35 ARG N N 32 115.900 115.900 116.507 -0.607 18318 5606 1 14 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.178 0.102 18318 5607 1 14 . 1 1 35 35 ARG C C 32 178.900 178.900 177.884 1.016 18318 5608 1 14 . 1 1 35 35 ARG CA C 32 57.400 57.400 57.434 -0.033 18318 5609 1 14 . 1 1 35 35 ARG CB C 32 31.300 31.300 29.989 1.311 18318 5610 1 14 . 1 1 35 35 ARG H H 32 7.450 7.450 7.238 0.212 18318 5611 1 14 . 1 1 36 36 ASP N N 33 117.700 117.700 118.939 -1.239 18318 5612 1 14 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.620 -0.480 18318 5613 1 14 . 1 1 36 36 ASP C C 33 177.600 177.600 176.322 1.278 18318 5614 1 14 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.365 0.835 18318 5615 1 14 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.972 -1.072 18318 5616 1 14 . 1 1 36 36 ASP H H 33 8.760 8.760 7.889 0.871 18318 5617 1 14 . 1 1 37 37 CYS N N 34 113.300 113.300 117.206 -3.906 18318 5618 1 14 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.930 0.470 18318 5619 1 14 . 1 1 37 37 CYS C C 34 175.800 175.800 174.869 0.931 18318 5620 1 14 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.427 -3.327 18318 5621 1 14 . 1 1 37 37 CYS CB C 34 39.500 39.500 26.582 12.918 18318 5622 1 14 . 1 1 37 37 CYS H H 34 8.260 8.260 7.514 0.746 18318 5623 1 14 . 1 1 38 38 HIS N N 35 124.200 124.200 124.278 -0.078 18318 5624 1 14 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.322 0.028 18318 5625 1 14 . 1 1 38 38 HIS C C 35 177.400 177.400 176.255 1.145 18318 5626 1 14 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.224 1.776 18318 5627 1 14 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.946 -0.346 18318 5628 1 14 . 1 1 38 38 HIS H H 35 7.520 7.520 8.562 -1.042 18318 5629 1 14 . 1 1 39 39 TYR N N 36 117.100 117.100 118.048 -0.948 18318 5630 1 14 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.279 0.021 18318 5631 1 14 . 1 1 39 39 TYR C C 36 177.700 177.700 177.074 0.626 18318 5632 1 14 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.800 -1.200 18318 5633 1 14 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.161 -1.961 18318 5634 1 14 . 1 1 39 39 TYR H H 36 8.930 8.930 8.919 0.011 18318 5635 1 14 . 1 1 40 40 LEU N N 37 122.000 122.000 118.889 3.111 18318 5636 1 14 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.224 -0.054 18318 5637 1 14 . 1 1 40 40 LEU C C 37 179.400 179.400 179.031 0.369 18318 5638 1 14 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.095 -0.595 18318 5639 1 14 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.288 1.112 18318 5640 1 14 . 1 1 40 40 LEU H H 37 6.940 6.940 8.021 -1.081 18318 5641 1 14 . 1 1 41 41 LYS N N 38 125.300 125.300 119.226 6.074 18318 5642 1 14 . 1 1 41 41 LYS C C 38 179.600 179.600 179.252 0.348 18318 5643 1 14 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.573 0.027 18318 5644 1 14 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.927 -0.927 18318 5645 1 14 . 1 1 41 41 LYS H H 38 7.880 7.880 7.407 0.473 18318 5646 1 14 . 1 1 42 42 MET N N 39 117.600 117.600 117.605 -0.005 18318 5647 1 14 . 1 1 42 42 MET HA H 39 4.120 4.120 4.393 -0.273 18318 5648 1 14 . 1 1 42 42 MET C C 39 178.900 178.900 178.067 0.833 18318 5649 1 14 . 1 1 42 42 MET CA C 39 57.200 57.200 57.753 -0.553 18318 5650 1 14 . 1 1 42 42 MET CB C 39 30.000 30.000 32.670 -2.670 18318 5651 1 14 . 1 1 42 42 MET H H 39 8.090 8.090 7.615 0.475 18318 5652 1 14 . 1 1 43 43 SER N N 40 115.900 115.900 116.590 -0.690 18318 5653 1 14 . 1 1 43 43 SER HA H 40 4.290 4.290 4.342 -0.052 18318 5654 1 14 . 1 1 43 43 SER C C 40 177.400 177.400 176.423 0.977 18318 5655 1 14 . 1 1 43 43 SER CA C 40 61.700 61.700 62.017 -0.317 18318 5656 1 14 . 1 1 43 43 SER CB C 40 62.500 62.500 63.209 -0.709 18318 5657 1 14 . 1 1 43 43 SER H H 40 7.600 7.600 7.641 -0.041 18318 5658 1 14 . 1 1 44 44 ILE N N 41 121.900 121.900 117.962 3.938 18318 5659 1 14 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.920 -0.380 18318 5660 1 14 . 1 1 44 44 ILE C C 41 177.500 177.500 177.079 0.421 18318 5661 1 14 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.813 1.287 18318 5662 1 14 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.602 0.298 18318 5663 1 14 . 1 1 44 44 ILE H H 41 7.540 7.540 8.429 -0.889 18318 5664 1 14 . 1 1 45 45 ALA N N 42 122.600 122.600 121.637 0.963 18318 5665 1 14 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.949 0.231 18318 5666 1 14 . 1 1 45 45 ALA C C 42 180.200 180.200 179.397 0.803 18318 5667 1 14 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.827 -0.027 18318 5668 1 14 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.161 -0.861 18318 5669 1 14 . 1 1 45 45 ALA H H 42 7.420 7.420 7.847 -0.427 18318 5670 1 14 . 1 1 46 46 GLN N N 43 118.400 118.400 117.781 0.619 18318 5671 1 14 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.041 -0.071 18318 5672 1 14 . 1 1 46 46 GLN C C 43 178.500 178.500 178.834 -0.334 18318 5673 1 14 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.712 -0.012 18318 5674 1 14 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.747 -0.947 18318 5675 1 14 . 1 1 46 46 GLN H H 43 8.290 8.290 7.779 0.511 18318 5676 1 14 . 1 1 47 47 CYS N N 44 119.500 119.500 119.198 0.302 18318 5677 1 14 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.195 -0.105 18318 5678 1 14 . 1 1 47 47 CYS C C 44 176.500 176.500 177.198 -0.698 18318 5679 1 14 . 1 1 47 47 CYS CA C 44 60.300 60.300 63.162 -2.862 18318 5680 1 14 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.429 13.471 18318 5681 1 14 . 1 1 47 47 CYS H H 44 7.590 7.590 7.877 -0.287 18318 5682 1 14 . 1 1 48 48 THR N N 45 113.000 113.000 112.904 0.096 18318 5683 1 14 . 1 1 48 48 THR C C 45 175.900 175.900 175.365 0.535 18318 5684 1 14 . 1 1 48 48 THR CA C 45 65.400 65.400 64.233 1.167 18318 5685 1 14 . 1 1 48 48 THR CB C 45 68.800 68.800 68.664 0.136 18318 5686 1 14 . 1 1 48 48 THR H H 45 8.810 8.810 7.885 0.925 18318 5687 1 14 . 1 1 49 49 SER N N 46 113.200 113.200 116.622 -3.422 18318 5688 1 14 . 1 1 49 49 SER HA H 46 4.380 4.380 4.705 -0.325 18318 5689 1 14 . 1 1 49 49 SER C C 46 175.600 175.600 174.977 0.623 18318 5690 1 14 . 1 1 49 49 SER CA C 46 60.000 60.000 58.334 1.666 18318 5691 1 14 . 1 1 49 49 SER CB C 46 63.900 63.900 62.985 0.915 18318 5692 1 14 . 1 1 49 49 SER H H 46 7.890 7.890 7.730 0.160 18318 5693 1 14 . 1 1 50 50 SER N N 47 114.100 114.100 118.712 -4.612 18318 5694 1 14 . 1 1 50 50 SER HA H 47 4.390 4.390 4.277 0.113 18318 5695 1 14 . 1 1 50 50 SER CA C 47 59.100 59.100 60.950 -1.849 18318 5696 1 14 . 1 1 50 50 SER CB C 47 64.800 64.800 63.655 1.145 18318 5697 1 14 . 1 1 50 50 SER H H 47 7.770 7.770 7.542 0.228 18318 5698 1 14 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.156 0.434 18318 5699 1 14 . 1 1 55 55 ARG C C 52 178.500 178.500 178.096 0.404 18318 5700 1 14 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.562 1.438 18318 5701 1 14 . 1 1 56 56 GLN N N 53 117.700 117.700 119.218 -1.518 18318 5702 1 14 . 1 1 56 56 GLN C C 53 175.000 175.000 178.664 -3.664 18318 5703 1 14 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.986 1.214 18318 5704 1 14 . 1 1 56 56 GLN H H 53 8.110 8.110 8.178 -0.068 18318 5705 1 14 . 1 1 57 57 ILE N N 54 121.200 121.200 115.061 6.139 18318 5706 1 14 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.868 -0.548 18318 5707 1 14 . 1 1 57 57 ILE C C 54 178.700 178.700 177.918 0.782 18318 5708 1 14 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.302 1.698 18318 5709 1 14 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.486 0.214 18318 5710 1 14 . 1 1 57 57 ILE H H 54 7.820 7.820 8.032 -0.212 18318 5711 1 14 . 1 1 58 58 ARG N N 55 118.900 118.900 119.953 -1.053 18318 5712 1 14 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.078 0.232 18318 5713 1 14 . 1 1 58 58 ARG C C 55 178.600 178.600 178.066 0.534 18318 5714 1 14 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.791 1.109 18318 5715 1 14 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.867 1.633 18318 5716 1 14 . 1 1 58 58 ARG H H 55 8.250 8.250 7.438 0.812 18318 5717 1 14 . 1 1 59 59 GLN N N 56 115.800 115.800 119.493 -3.693 18318 5718 1 14 . 1 1 59 59 GLN C C 56 178.100 178.100 177.086 1.014 18318 5719 1 14 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.294 -0.294 18318 5720 1 14 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.274 0.526 18318 5721 1 14 . 1 1 59 59 GLN H H 56 7.920 7.920 7.767 0.153 18318 5722 1 14 . 1 1 60 60 ALA N N 57 121.600 121.600 121.038 0.562 18318 5723 1 14 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.092 0.088 18318 5724 1 14 . 1 1 60 60 ALA C C 57 179.600 179.600 177.826 1.774 18318 5725 1 14 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.586 0.914 18318 5726 1 14 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.271 -0.371 18318 5727 1 14 . 1 1 60 60 ALA H H 57 8.490 8.490 7.714 0.776 18318 5728 1 14 . 1 1 61 61 CYS N N 58 114.000 114.000 117.347 -3.347 18318 5729 1 14 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.499 0.631 18318 5730 1 14 . 1 1 61 61 CYS C C 58 175.000 175.000 174.238 0.762 18318 5731 1 14 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.224 -6.524 18318 5732 1 14 . 1 1 61 61 CYS CB C 58 39.800 39.800 26.576 13.224 18318 5733 1 14 . 1 1 61 61 CYS H H 58 8.370 8.370 7.829 0.541 18318 5734 1 14 . 1 1 62 62 ALA N N 59 124.900 124.900 127.863 -2.963 18318 5735 1 14 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.374 -0.104 18318 5736 1 14 . 1 1 62 62 ALA C C 59 179.200 179.200 178.912 0.288 18318 5737 1 14 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.942 2.558 18318 5738 1 14 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.761 -0.961 18318 5739 1 14 . 1 1 62 62 ALA H H 59 7.200 7.200 8.595 -1.395 18318 5740 1 14 . 1 1 63 63 GLN N N 60 115.800 115.800 120.204 -4.404 18318 5741 1 14 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.209 0.271 18318 5742 1 14 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.170 0.030 18318 5743 1 14 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.651 -1.951 18318 5744 1 14 . 1 1 63 63 GLN H H 60 9.040 9.040 8.761 0.279 18318 5745 1 14 . 1 1 64 64 PRO C C 61 179.700 179.700 178.502 1.198 18318 5746 1 14 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.364 0.236 18318 5747 1 14 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.596 -0.796 18318 5748 1 14 . 1 1 65 65 PHE N N 62 120.500 120.500 119.555 0.945 18318 5749 1 14 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.389 -0.109 18318 5750 1 14 . 1 1 65 65 PHE C C 62 176.400 176.400 177.360 -0.960 18318 5751 1 14 . 1 1 65 65 PHE CA C 62 62.400 62.400 61.314 1.086 18318 5752 1 14 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.494 -0.894 18318 5753 1 14 . 1 1 65 65 PHE H H 62 8.500 8.500 7.993 0.507 18318 5754 1 14 . 1 1 66 66 GLU N N 63 120.200 120.200 119.913 0.287 18318 5755 1 14 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.226 -0.196 18318 5756 1 14 . 1 1 66 66 GLU C C 63 179.300 179.300 178.720 0.580 18318 5757 1 14 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.715 0.485 18318 5758 1 14 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.329 -0.829 18318 5759 1 14 . 1 1 66 66 GLU H H 63 8.900 8.900 8.645 0.255 18318 5760 1 14 . 1 1 67 67 ALA N N 64 120.600 120.600 122.952 -2.352 18318 5761 1 14 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.108 -0.238 18318 5762 1 14 . 1 1 67 67 ALA C C 64 180.500 180.500 179.005 1.495 18318 5763 1 14 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.088 -0.388 18318 5764 1 14 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.419 -0.319 18318 5765 1 14 . 1 1 67 67 ALA H H 64 8.150 8.150 7.449 0.701 18318 5766 1 14 . 1 1 68 68 PHE N N 65 120.000 120.000 120.236 -0.236 18318 5767 1 14 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.153 0.167 18318 5768 1 14 . 1 1 68 68 PHE C C 65 175.400 175.400 177.400 -2.000 18318 5769 1 14 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.592 -0.792 18318 5770 1 14 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.873 -0.873 18318 5771 1 14 . 1 1 68 68 PHE H H 65 7.810 7.810 7.740 0.070 18318 5772 1 14 . 1 1 69 69 GLU N N 66 119.400 119.400 118.361 1.039 18318 5773 1 14 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.536 0.634 18318 5774 1 14 . 1 1 69 69 GLU C C 66 178.800 178.800 178.537 0.263 18318 5775 1 14 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.541 0.659 18318 5776 1 14 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.315 -0.215 18318 5777 1 14 . 1 1 69 69 GLU H H 66 8.330 8.330 7.911 0.419 18318 5778 1 14 . 1 1 70 70 GLU N N 67 118.600 118.600 118.932 -0.332 18318 5779 1 14 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.070 -0.100 18318 5780 1 14 . 1 1 70 70 GLU C C 67 177.700 177.700 177.872 -0.172 18318 5781 1 14 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.020 -0.220 18318 5782 1 14 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.704 -1.004 18318 5783 1 14 . 1 1 70 70 GLU H H 67 8.240 8.240 7.723 0.517 18318 5784 1 14 . 1 1 71 71 CYS N N 68 119.100 119.100 119.067 0.033 18318 5785 1 14 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.163 -0.083 18318 5786 1 14 . 1 1 71 71 CYS C C 68 177.900 177.900 177.031 0.869 18318 5787 1 14 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.112 -2.512 18318 5788 1 14 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.294 12.706 18318 5789 1 14 . 1 1 71 71 CYS H H 68 7.580 7.580 7.718 -0.138 18318 5790 1 14 . 1 1 72 72 LEU N N 69 122.000 122.000 118.920 3.080 18318 5791 1 14 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.171 -0.471 18318 5792 1 14 . 1 1 72 72 LEU C C 69 179.300 179.300 178.913 0.387 18318 5793 1 14 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.254 0.346 18318 5794 1 14 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.268 -0.268 18318 5795 1 14 . 1 1 72 72 LEU H H 69 8.090 8.090 7.511 0.579 18318 5796 1 14 . 1 1 73 73 ARG N N 70 117.400 117.400 118.318 -0.918 18318 5797 1 14 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.931 0.079 18318 5798 1 14 . 1 1 73 73 ARG C C 70 178.500 178.500 178.261 0.239 18318 5799 1 14 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.769 -0.069 18318 5800 1 14 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.663 0.437 18318 5801 1 14 . 1 1 73 73 ARG H H 70 7.600 7.600 7.523 0.077 18318 5802 1 14 . 1 1 74 74 GLN N N 71 115.800 115.800 114.569 1.231 18318 5803 1 14 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.387 -0.097 18318 5804 1 14 . 1 1 74 74 GLN C C 71 176.200 176.200 176.030 0.170 18318 5805 1 14 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.742 -0.341 18318 5806 1 14 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.843 -1.643 18318 5807 1 14 . 1 1 74 74 GLN H H 71 7.580 7.580 7.561 0.019 18318 5808 1 14 . 1 1 75 75 ASN N N 72 118.600 118.600 117.292 1.308 18318 5809 1 14 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.005 -0.015 18318 5810 1 14 . 1 1 75 75 ASN C C 72 174.800 174.800 174.869 -0.069 18318 5811 1 14 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.713 0.287 18318 5812 1 14 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.700 1.100 18318 5813 1 14 . 1 1 75 75 ASN H H 72 7.750 7.750 8.245 -0.495 18318 5814 1 14 . 1 1 76 76 GLU N N 73 120.200 120.200 122.524 -2.324 18318 5815 1 14 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.852 0.108 18318 5816 1 14 . 1 1 76 76 GLU C C 73 176.800 176.800 176.892 -0.092 18318 5817 1 14 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.647 -0.447 18318 5818 1 14 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.781 -0.681 18318 5819 1 14 . 1 1 76 76 GLU H H 73 7.950 7.950 8.048 -0.098 18318 5820 1 14 . 1 1 77 77 ALA N N 74 119.200 119.200 118.648 0.552 18318 5821 1 14 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.465 -0.105 18318 5822 1 14 . 1 1 77 77 ALA C C 74 175.400 175.400 176.950 -1.550 18318 5823 1 14 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.889 0.211 18318 5824 1 14 . 1 1 77 77 ALA CB C 74 18.200 18.200 17.827 0.373 18318 5825 1 14 . 1 1 77 77 ALA H H 74 8.320 8.320 8.061 0.259 18318 5826 1 14 . 1 1 78 78 ALA N N 75 124.400 124.400 121.636 2.764 18318 5827 1 14 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.566 -0.186 18318 5828 1 14 . 1 1 78 78 ALA C C 75 177.200 177.200 177.670 -0.470 18318 5829 1 14 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.730 -0.330 18318 5830 1 14 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.993 -1.993 18318 5831 1 14 . 1 1 78 78 ALA H H 75 7.900 7.900 7.533 0.367 18318 5832 1 14 . 1 1 79 79 VAL N N 76 118.400 118.400 121.065 -2.665 18318 5833 1 14 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.633 0.157 18318 5834 1 14 . 1 1 79 79 VAL CA C 76 65.100 65.100 65.813 -0.713 18318 5835 1 14 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.505 -0.205 18318 5836 1 14 . 1 1 79 79 VAL H H 76 8.100 8.100 8.285 -0.185 18318 5837 1 14 . 1 1 80 80 GLY C C 77 175.900 175.900 174.984 0.916 18318 5838 1 14 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.842 -0.442 18318 5839 1 14 . 1 1 81 81 ASN N N 78 119.300 119.300 118.130 1.170 18318 5840 1 14 . 1 1 81 81 ASN HA H 78 4.600 4.600 5.001 -0.401 18318 5841 1 14 . 1 1 81 81 ASN C C 78 176.700 176.700 173.598 3.102 18318 5842 1 14 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.027 1.473 18318 5843 1 14 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.781 -2.481 18318 5844 1 14 . 1 1 81 81 ASN H H 78 8.200 8.200 7.839 0.361 18318 5845 1 14 . 1 1 82 82 CYS N N 79 117.200 117.200 117.972 -0.772 18318 5846 1 14 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.747 0.653 18318 5847 1 14 . 1 1 82 82 CYS C C 79 175.800 175.800 172.559 3.241 18318 5848 1 14 . 1 1 82 82 CYS CA C 79 53.500 53.500 58.872 -5.372 18318 5849 1 14 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.046 9.254 18318 5850 1 14 . 1 1 82 82 CYS H H 79 8.330 8.330 8.166 0.164 18318 5851 1 14 . 1 1 83 83 ALA N N 80 125.000 125.000 129.025 -4.025 18318 5852 1 14 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.853 -0.703 18318 5853 1 14 . 1 1 83 83 ALA C C 80 179.900 179.900 176.729 3.171 18318 5854 1 14 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.428 3.772 18318 5855 1 14 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.721 -1.520 18318 5856 1 14 . 1 1 83 83 ALA H H 80 7.700 7.700 8.379 -0.679 18318 5857 1 14 . 1 1 84 84 GLU N N 81 118.900 118.900 121.036 -2.136 18318 5858 1 14 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.148 -0.198 18318 5859 1 14 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.738 0.262 18318 5860 1 14 . 1 1 84 84 GLU CB C 81 28.900 28.900 30.127 -1.227 18318 5861 1 14 . 1 1 84 84 GLU H H 81 8.920 8.920 9.108 -0.188 18318 5862 1 14 . 1 1 85 85 HIS C C 82 178.500 178.500 176.416 2.084 18318 5863 1 14 . 1 1 85 85 HIS CA C 82 56.100 56.100 57.631 -1.531 18318 5864 1 14 . 1 1 86 86 MET N N 83 118.800 118.800 117.908 0.892 18318 5865 1 14 . 1 1 86 86 MET C C 83 177.200 177.200 178.021 -0.821 18318 5866 1 14 . 1 1 86 86 MET CA C 83 58.900 58.900 58.495 0.405 18318 5867 1 14 . 1 1 86 86 MET CB C 83 31.300 31.300 32.204 -0.904 18318 5868 1 14 . 1 1 86 86 MET H H 83 7.460 7.460 7.144 0.316 18318 5869 1 14 . 1 1 87 87 ARG N N 84 119.500 119.500 118.367 1.133 18318 5870 1 14 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.009 -0.099 18318 5871 1 14 . 1 1 87 87 ARG C C 84 178.600 178.600 178.679 -0.079 18318 5872 1 14 . 1 1 87 87 ARG CA C 84 59.900 59.900 59.167 0.733 18318 5873 1 14 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.894 -0.394 18318 5874 1 14 . 1 1 87 87 ARG H H 84 8.220 8.220 7.730 0.490 18318 5875 1 14 . 1 1 88 88 ARG N N 85 117.900 117.900 119.782 -1.882 18318 5876 1 14 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.966 -0.046 18318 5877 1 14 . 1 1 88 88 ARG C C 85 179.700 179.700 178.305 1.395 18318 5878 1 14 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.983 -0.483 18318 5879 1 14 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.905 0.095 18318 5880 1 14 . 1 1 88 88 ARG H H 85 8.100 8.100 7.656 0.444 18318 5881 1 14 . 1 1 89 89 PHE N N 86 119.700 119.700 120.306 -0.606 18318 5882 1 14 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.229 0.121 18318 5883 1 14 . 1 1 89 89 PHE C C 86 175.600 175.600 177.043 -1.443 18318 5884 1 14 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.228 -0.128 18318 5885 1 14 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.104 -1.304 18318 5886 1 14 . 1 1 89 89 PHE H H 86 7.930 7.930 7.535 0.395 18318 5887 1 14 . 1 1 90 90 LEU N N 87 120.400 120.400 119.217 1.183 18318 5888 1 14 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.896 -0.186 18318 5889 1 14 . 1 1 90 90 LEU C C 87 179.200 179.200 178.904 0.296 18318 5890 1 14 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.695 0.005 18318 5891 1 14 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.930 -1.630 18318 5892 1 14 . 1 1 90 90 LEU H H 87 8.640 8.640 7.597 1.043 18318 5893 1 14 . 1 1 91 91 GLN N N 88 118.200 118.200 119.050 -0.850 18318 5894 1 14 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.042 -0.002 18318 5895 1 14 . 1 1 91 91 GLN C C 88 178.000 178.000 178.388 -0.388 18318 5896 1 14 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.668 0.032 18318 5897 1 14 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.662 -0.662 18318 5898 1 14 . 1 1 91 91 GLN H H 88 8.380 8.380 8.117 0.263 18318 5899 1 14 . 1 1 92 92 CYS N N 89 119.000 119.000 117.680 1.320 18318 5900 1 14 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.313 -0.263 18318 5901 1 14 . 1 1 92 92 CYS C C 89 176.600 176.600 177.286 -0.686 18318 5902 1 14 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.581 -1.481 18318 5903 1 14 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.931 13.569 18318 5904 1 14 . 1 1 92 92 CYS H H 89 7.390 7.390 8.099 -0.709 18318 5905 1 14 . 1 1 93 93 ALA N N 90 122.900 122.900 121.628 1.272 18318 5906 1 14 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.954 -0.044 18318 5907 1 14 . 1 1 93 93 ALA C C 90 179.200 179.200 178.418 0.782 18318 5908 1 14 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.347 0.353 18318 5909 1 14 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.183 -0.383 18318 5910 1 14 . 1 1 93 93 ALA H H 90 8.410 8.410 8.210 0.200 18318 5911 1 14 . 1 1 94 94 GLU N N 91 115.800 115.800 118.458 -2.658 18318 5912 1 14 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.064 0.086 18318 5913 1 14 . 1 1 94 94 GLU C C 91 177.400 177.400 178.363 -0.963 18318 5914 1 14 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.807 0.093 18318 5915 1 14 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.627 -0.227 18318 5916 1 14 . 1 1 94 94 GLU H H 91 7.880 7.880 7.520 0.360 18318 5917 1 14 . 1 1 95 95 GLN N N 92 115.500 115.500 118.524 -3.024 18318 5918 1 14 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.168 0.122 18318 5919 1 14 . 1 1 95 95 GLN C C 92 176.600 176.600 176.214 0.386 18318 5920 1 14 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.844 -1.544 18318 5921 1 14 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.630 -0.730 18318 5922 1 14 . 1 1 95 95 GLN H H 92 7.450 7.450 7.888 -0.438 18318 5923 1 15 . 1 1 15 15 CYS N N 12 117.500 117.500 120.246 -2.746 18318 5924 1 15 . 1 1 15 15 CYS C C 12 175.500 175.500 175.678 -0.178 18318 5925 1 15 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.307 -4.607 18318 5926 1 15 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.991 6.709 18318 5927 1 15 . 1 1 15 15 CYS H H 12 8.280 8.280 8.460 -0.180 18318 5928 1 15 . 1 1 16 16 GLY N N 13 108.700 108.700 109.254 -0.554 18318 5929 1 15 . 1 1 16 16 GLY C C 13 176.600 176.600 174.993 1.607 18318 5930 1 15 . 1 1 16 16 GLY CA C 13 47.900 47.900 45.147 2.753 18318 5931 1 15 . 1 1 16 16 GLY H H 13 8.080 8.080 8.821 -0.741 18318 5932 1 15 . 1 1 17 17 ARG N N 14 123.300 123.300 118.745 4.555 18318 5933 1 15 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.546 -0.586 18318 5934 1 15 . 1 1 17 17 ARG C C 14 179.300 179.300 177.063 2.237 18318 5935 1 15 . 1 1 17 17 ARG CA C 14 59.200 59.200 55.190 4.010 18318 5936 1 15 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.418 0.682 18318 5937 1 15 . 1 1 17 17 ARG H H 14 8.630 8.630 8.105 0.525 18318 5938 1 15 . 1 1 18 18 GLU N N 15 121.900 121.900 121.473 0.427 18318 5939 1 15 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.317 -0.147 18318 5940 1 15 . 1 1 18 18 GLU C C 15 177.900 177.900 177.546 0.354 18318 5941 1 15 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.985 2.115 18318 5942 1 15 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.451 -1.251 18318 5943 1 15 . 1 1 18 18 GLU H H 15 9.670 9.670 7.739 1.931 18318 5944 1 15 . 1 1 19 19 LEU N N 16 119.400 119.400 120.816 -1.416 18318 5945 1 15 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.593 2.307 18318 5946 1 15 . 1 1 19 19 LEU H H 16 8.090 8.090 8.435 -0.345 18318 5947 1 15 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.994 -0.314 18318 5948 1 15 . 1 1 20 20 GLU C C 17 177.200 177.200 179.204 -2.004 18318 5949 1 15 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.477 -0.177 18318 5950 1 15 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.564 -0.564 18318 5951 1 15 . 1 1 21 21 GLN N N 18 118.500 118.500 118.939 -0.439 18318 5952 1 15 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.215 -0.175 18318 5953 1 15 . 1 1 21 21 GLN C C 18 177.200 177.200 178.536 -1.336 18318 5954 1 15 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.482 0.518 18318 5955 1 15 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.992 -0.292 18318 5956 1 15 . 1 1 21 21 GLN H H 18 8.560 8.560 7.657 0.903 18318 5957 1 15 . 1 1 22 22 TYR N N 19 120.700 120.700 120.536 0.164 18318 5958 1 15 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.300 -0.020 18318 5959 1 15 . 1 1 22 22 TYR C C 19 176.600 176.600 177.874 -1.274 18318 5960 1 15 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.295 1.805 18318 5961 1 15 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.000 0.900 18318 5962 1 15 . 1 1 22 22 TYR H H 19 8.120 8.120 9.091 -0.971 18318 5963 1 15 . 1 1 23 23 GLY N N 20 105.600 105.600 106.610 -1.010 18318 5964 1 15 . 1 1 23 23 GLY C C 20 176.700 176.700 175.897 0.803 18318 5965 1 15 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.874 0.226 18318 5966 1 15 . 1 1 23 23 GLY H H 20 8.390 8.390 7.780 0.610 18318 5967 1 15 . 1 1 24 24 GLN N N 21 120.300 120.300 119.952 0.348 18318 5968 1 15 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.152 -0.102 18318 5969 1 15 . 1 1 24 24 GLN C C 21 178.000 178.000 178.329 -0.329 18318 5970 1 15 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.513 0.087 18318 5971 1 15 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.888 -1.288 18318 5972 1 15 . 1 1 24 24 GLN H H 21 8.130 8.130 7.726 0.404 18318 5973 1 15 . 1 1 25 25 CYS N N 22 121.500 121.500 118.757 2.743 18318 5974 1 15 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.405 -0.125 18318 5975 1 15 . 1 1 25 25 CYS C C 22 175.400 175.400 177.187 -1.787 18318 5976 1 15 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.730 -2.130 18318 5977 1 15 . 1 1 25 25 CYS CB C 22 39.900 39.900 27.290 12.610 18318 5978 1 15 . 1 1 25 25 CYS H H 22 7.610 7.610 8.094 -0.484 18318 5979 1 15 . 1 1 26 26 VAL N N 23 119.900 119.900 120.064 -0.164 18318 5980 1 15 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.163 -0.373 18318 5981 1 15 . 1 1 26 26 VAL C C 23 177.100 177.100 176.861 0.239 18318 5982 1 15 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.933 0.967 18318 5983 1 15 . 1 1 26 26 VAL CB C 23 29.300 29.300 32.057 -2.757 18318 5984 1 15 . 1 1 26 26 VAL H H 23 8.040 8.040 8.163 -0.123 18318 5985 1 15 . 1 1 27 27 ALA N N 24 117.400 117.400 120.622 -3.222 18318 5986 1 15 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.087 0.013 18318 5987 1 15 . 1 1 27 27 ALA C C 24 178.600 178.600 177.602 0.998 18318 5988 1 15 . 1 1 27 27 ALA CA C 24 54.100 54.100 53.970 0.130 18318 5989 1 15 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.732 -0.832 18318 5990 1 15 . 1 1 27 27 ALA H H 24 7.430 7.430 7.652 -0.222 18318 5991 1 15 . 1 1 28 28 ALA N N 25 116.100 116.100 120.144 -4.044 18318 5992 1 15 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.385 -0.055 18318 5993 1 15 . 1 1 28 28 ALA C C 25 178.100 178.100 177.417 0.683 18318 5994 1 15 . 1 1 28 28 ALA CA C 25 52.600 52.600 52.995 -0.395 18318 5995 1 15 . 1 1 28 28 ALA CB C 25 19.100 19.100 20.666 -1.566 18318 5996 1 15 . 1 1 28 28 ALA H H 25 7.120 7.120 7.522 -0.402 18318 5997 1 15 . 1 1 29 29 LYS N N 26 119.200 119.200 115.726 3.474 18318 5998 1 15 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.726 4.974 18318 5999 1 15 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.929 -2.829 18318 6000 1 15 . 1 1 29 29 LYS H H 26 7.560 7.560 7.768 -0.208 18318 6001 1 15 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.323 -0.113 18318 6002 1 15 . 1 1 30 30 PRO C C 27 177.000 177.000 178.188 -1.188 18318 6003 1 15 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.502 0.398 18318 6004 1 15 . 1 1 30 30 PRO CB C 27 31.600 31.600 31.974 -0.374 18318 6005 1 15 . 1 1 31 31 GLU N N 28 114.600 114.600 118.147 -3.547 18318 6006 1 15 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.339 0.111 18318 6007 1 15 . 1 1 31 31 GLU C C 28 176.100 176.100 178.139 -2.039 18318 6008 1 15 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.081 -0.881 18318 6009 1 15 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.386 1.214 18318 6010 1 15 . 1 1 31 31 GLU H H 28 8.770 8.770 8.917 -0.147 18318 6011 1 15 . 1 1 32 32 SER N N 29 111.000 111.000 116.144 -5.144 18318 6012 1 15 . 1 1 32 32 SER HA H 29 4.510 4.510 4.319 0.191 18318 6013 1 15 . 1 1 32 32 SER C C 29 176.600 176.600 176.097 0.503 18318 6014 1 15 . 1 1 32 32 SER CA C 29 58.500 58.500 60.316 -1.816 18318 6015 1 15 . 1 1 32 32 SER CB C 29 63.800 63.800 62.608 1.192 18318 6016 1 15 . 1 1 32 32 SER H H 29 7.750 7.750 8.356 -0.606 18318 6017 1 15 . 1 1 33 33 TRP N N 30 125.000 125.000 124.391 0.609 18318 6018 1 15 . 1 1 33 33 TRP C C 30 177.200 177.200 177.869 -0.669 18318 6019 1 15 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.508 -0.508 18318 6020 1 15 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.855 0.645 18318 6021 1 15 . 1 1 33 33 TRP H H 30 7.820 7.820 7.833 -0.013 18318 6022 1 15 . 1 1 34 34 GLN N N 31 123.600 123.600 117.309 6.291 18318 6023 1 15 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.061 0.389 18318 6024 1 15 . 1 1 34 34 GLN C C 31 176.800 176.800 178.366 -1.566 18318 6025 1 15 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.972 1.928 18318 6026 1 15 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.846 -2.346 18318 6027 1 15 . 1 1 34 34 GLN H H 31 8.240 8.240 7.620 0.620 18318 6028 1 15 . 1 1 35 35 ARG N N 32 115.900 115.900 119.034 -3.134 18318 6029 1 15 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.110 0.170 18318 6030 1 15 . 1 1 35 35 ARG C C 32 178.900 178.900 178.414 0.486 18318 6031 1 15 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.305 -1.905 18318 6032 1 15 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.182 1.118 18318 6033 1 15 . 1 1 35 35 ARG H H 32 7.450 7.450 7.655 -0.205 18318 6034 1 15 . 1 1 36 36 ASP N N 33 117.700 117.700 119.348 -1.648 18318 6035 1 15 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.665 -0.525 18318 6036 1 15 . 1 1 36 36 ASP C C 33 177.600 177.600 177.358 0.242 18318 6037 1 15 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.671 0.529 18318 6038 1 15 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.910 -1.010 18318 6039 1 15 . 1 1 36 36 ASP H H 33 8.760 8.760 8.306 0.454 18318 6040 1 15 . 1 1 37 37 CYS N N 34 113.300 113.300 118.975 -5.675 18318 6041 1 15 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.793 0.607 18318 6042 1 15 . 1 1 37 37 CYS C C 34 175.800 175.800 174.607 1.193 18318 6043 1 15 . 1 1 37 37 CYS CA C 34 53.100 53.100 58.380 -5.280 18318 6044 1 15 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.352 14.148 18318 6045 1 15 . 1 1 37 37 CYS H H 34 8.260 8.260 7.776 0.484 18318 6046 1 15 . 1 1 38 38 HIS N N 35 124.200 124.200 124.726 -0.526 18318 6047 1 15 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.517 -0.167 18318 6048 1 15 . 1 1 38 38 HIS C C 35 177.400 177.400 176.485 0.915 18318 6049 1 15 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.690 1.310 18318 6050 1 15 . 1 1 38 38 HIS CB C 35 30.600 30.600 31.011 -0.411 18318 6051 1 15 . 1 1 38 38 HIS H H 35 7.520 7.520 8.029 -0.509 18318 6052 1 15 . 1 1 39 39 TYR N N 36 117.100 117.100 119.068 -1.968 18318 6053 1 15 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.265 0.035 18318 6054 1 15 . 1 1 39 39 TYR C C 36 177.700 177.700 177.860 -0.160 18318 6055 1 15 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.838 -1.238 18318 6056 1 15 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.032 -1.832 18318 6057 1 15 . 1 1 39 39 TYR H H 36 8.930 8.930 8.742 0.188 18318 6058 1 15 . 1 1 40 40 LEU N N 37 122.000 122.000 118.541 3.459 18318 6059 1 15 . 1 1 40 40 LEU HA H 37 4.170 4.170 3.993 0.177 18318 6060 1 15 . 1 1 40 40 LEU C C 37 179.400 179.400 178.771 0.629 18318 6061 1 15 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.979 -1.479 18318 6062 1 15 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.148 1.252 18318 6063 1 15 . 1 1 40 40 LEU H H 37 6.940 6.940 8.518 -1.578 18318 6064 1 15 . 1 1 41 41 LYS N N 38 125.300 125.300 118.742 6.558 18318 6065 1 15 . 1 1 41 41 LYS C C 38 179.600 179.600 179.197 0.403 18318 6066 1 15 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.190 0.410 18318 6067 1 15 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.701 -0.701 18318 6068 1 15 . 1 1 41 41 LYS H H 38 7.880 7.880 7.366 0.514 18318 6069 1 15 . 1 1 42 42 MET N N 39 117.600 117.600 117.682 -0.082 18318 6070 1 15 . 1 1 42 42 MET HA H 39 4.120 4.120 4.293 -0.173 18318 6071 1 15 . 1 1 42 42 MET C C 39 178.900 178.900 178.078 0.822 18318 6072 1 15 . 1 1 42 42 MET CA C 39 57.200 57.200 57.222 -0.022 18318 6073 1 15 . 1 1 42 42 MET CB C 39 30.000 30.000 32.421 -2.421 18318 6074 1 15 . 1 1 42 42 MET H H 39 8.090 8.090 7.691 0.399 18318 6075 1 15 . 1 1 43 43 SER N N 40 115.900 115.900 116.493 -0.593 18318 6076 1 15 . 1 1 43 43 SER HA H 40 4.290 4.290 4.360 -0.070 18318 6077 1 15 . 1 1 43 43 SER C C 40 177.400 177.400 176.421 0.979 18318 6078 1 15 . 1 1 43 43 SER CA C 40 61.700 61.700 62.203 -0.503 18318 6079 1 15 . 1 1 43 43 SER CB C 40 62.500 62.500 63.510 -1.010 18318 6080 1 15 . 1 1 43 43 SER H H 40 7.600 7.600 7.924 -0.324 18318 6081 1 15 . 1 1 44 44 ILE N N 41 121.900 121.900 118.886 3.014 18318 6082 1 15 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.777 -0.237 18318 6083 1 15 . 1 1 44 44 ILE C C 41 177.500 177.500 177.363 0.137 18318 6084 1 15 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.466 1.634 18318 6085 1 15 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.392 0.509 18318 6086 1 15 . 1 1 44 44 ILE H H 41 7.540 7.540 8.455 -0.915 18318 6087 1 15 . 1 1 45 45 ALA N N 42 122.600 122.600 122.375 0.225 18318 6088 1 15 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.999 0.181 18318 6089 1 15 . 1 1 45 45 ALA C C 42 180.200 180.200 179.497 0.703 18318 6090 1 15 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.068 -0.268 18318 6091 1 15 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.468 -1.168 18318 6092 1 15 . 1 1 45 45 ALA H H 42 7.420 7.420 7.874 -0.454 18318 6093 1 15 . 1 1 46 46 GLN N N 43 118.400 118.400 116.617 1.783 18318 6094 1 15 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.112 -0.142 18318 6095 1 15 . 1 1 46 46 GLN C C 43 178.500 178.500 177.894 0.606 18318 6096 1 15 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.656 0.044 18318 6097 1 15 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.189 -0.389 18318 6098 1 15 . 1 1 46 46 GLN H H 43 8.290 8.290 7.895 0.395 18318 6099 1 15 . 1 1 47 47 CYS N N 44 119.500 119.500 119.539 -0.039 18318 6100 1 15 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.161 -0.071 18318 6101 1 15 . 1 1 47 47 CYS C C 44 176.500 176.500 177.155 -0.655 18318 6102 1 15 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.710 -2.410 18318 6103 1 15 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.331 13.569 18318 6104 1 15 . 1 1 47 47 CYS H H 44 7.590 7.590 7.641 -0.051 18318 6105 1 15 . 1 1 48 48 THR N N 45 113.000 113.000 113.396 -0.396 18318 6106 1 15 . 1 1 48 48 THR C C 45 175.900 175.900 176.068 -0.168 18318 6107 1 15 . 1 1 48 48 THR CA C 45 65.400 65.400 65.275 0.125 18318 6108 1 15 . 1 1 48 48 THR CB C 45 68.800 68.800 68.679 0.121 18318 6109 1 15 . 1 1 48 48 THR H H 45 8.810 8.810 7.732 1.078 18318 6110 1 15 . 1 1 49 49 SER N N 46 113.200 113.200 117.030 -3.830 18318 6111 1 15 . 1 1 49 49 SER HA H 46 4.380 4.380 4.253 0.127 18318 6112 1 15 . 1 1 49 49 SER C C 46 175.600 175.600 176.508 -0.908 18318 6113 1 15 . 1 1 49 49 SER CA C 46 60.000 60.000 60.794 -0.794 18318 6114 1 15 . 1 1 49 49 SER CB C 46 63.900 63.900 63.556 0.344 18318 6115 1 15 . 1 1 49 49 SER H H 46 7.890 7.890 7.992 -0.102 18318 6116 1 15 . 1 1 50 50 SER N N 47 114.100 114.100 116.931 -2.831 18318 6117 1 15 . 1 1 50 50 SER HA H 47 4.390 4.390 4.292 0.098 18318 6118 1 15 . 1 1 50 50 SER CA C 47 59.100 59.100 60.276 -1.176 18318 6119 1 15 . 1 1 50 50 SER CB C 47 64.800 64.800 63.766 1.034 18318 6120 1 15 . 1 1 50 50 SER H H 47 7.770 7.770 7.799 -0.029 18318 6121 1 15 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.108 0.482 18318 6122 1 15 . 1 1 55 55 ARG C C 52 178.500 178.500 178.205 0.295 18318 6123 1 15 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.843 1.157 18318 6124 1 15 . 1 1 56 56 GLN N N 53 117.700 117.700 119.335 -1.635 18318 6125 1 15 . 1 1 56 56 GLN C C 53 175.000 175.000 178.498 -3.498 18318 6126 1 15 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.852 1.348 18318 6127 1 15 . 1 1 56 56 GLN H H 53 8.110 8.110 7.483 0.627 18318 6128 1 15 . 1 1 57 57 ILE N N 54 121.200 121.200 116.384 4.816 18318 6129 1 15 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.944 -0.624 18318 6130 1 15 . 1 1 57 57 ILE C C 54 178.700 178.700 177.211 1.489 18318 6131 1 15 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.739 2.261 18318 6132 1 15 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.585 0.115 18318 6133 1 15 . 1 1 57 57 ILE H H 54 7.820 7.820 7.673 0.147 18318 6134 1 15 . 1 1 58 58 ARG N N 55 118.900 118.900 121.530 -2.630 18318 6135 1 15 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.149 0.161 18318 6136 1 15 . 1 1 58 58 ARG C C 55 178.600 178.600 177.838 0.762 18318 6137 1 15 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.572 1.328 18318 6138 1 15 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.487 2.013 18318 6139 1 15 . 1 1 58 58 ARG H H 55 8.250 8.250 8.000 0.250 18318 6140 1 15 . 1 1 59 59 GLN N N 56 115.800 115.800 117.226 -1.426 18318 6141 1 15 . 1 1 59 59 GLN C C 56 178.100 178.100 177.124 0.976 18318 6142 1 15 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.395 -0.395 18318 6143 1 15 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.963 -0.163 18318 6144 1 15 . 1 1 59 59 GLN H H 56 7.920 7.920 7.755 0.165 18318 6145 1 15 . 1 1 60 60 ALA N N 57 121.600 121.600 120.598 1.002 18318 6146 1 15 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.419 -0.239 18318 6147 1 15 . 1 1 60 60 ALA C C 57 179.600 179.600 177.328 2.272 18318 6148 1 15 . 1 1 60 60 ALA CA C 57 54.500 54.500 52.522 1.978 18318 6149 1 15 . 1 1 60 60 ALA CB C 57 18.900 18.900 20.608 -1.708 18318 6150 1 15 . 1 1 60 60 ALA H H 57 8.490 8.490 7.635 0.855 18318 6151 1 15 . 1 1 61 61 CYS N N 58 114.000 114.000 119.304 -5.304 18318 6152 1 15 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.260 0.870 18318 6153 1 15 . 1 1 61 61 CYS C C 58 175.000 175.000 174.711 0.289 18318 6154 1 15 . 1 1 61 61 CYS CA C 58 52.700 52.700 61.427 -8.727 18318 6155 1 15 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.745 15.055 18318 6156 1 15 . 1 1 61 61 CYS H H 58 8.370 8.370 8.090 0.280 18318 6157 1 15 . 1 1 62 62 ALA N N 59 124.900 124.900 128.101 -3.201 18318 6158 1 15 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.530 -0.260 18318 6159 1 15 . 1 1 62 62 ALA C C 59 179.200 179.200 178.668 0.532 18318 6160 1 15 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.787 2.713 18318 6161 1 15 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.352 -0.552 18318 6162 1 15 . 1 1 62 62 ALA H H 59 7.200 7.200 8.228 -1.028 18318 6163 1 15 . 1 1 63 63 GLN N N 60 115.800 115.800 119.910 -4.110 18318 6164 1 15 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.247 0.233 18318 6165 1 15 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.141 1.060 18318 6166 1 15 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.520 -1.820 18318 6167 1 15 . 1 1 63 63 GLN H H 60 9.040 9.040 8.316 0.724 18318 6168 1 15 . 1 1 64 64 PRO C C 61 179.700 179.700 178.081 1.619 18318 6169 1 15 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.006 0.594 18318 6170 1 15 . 1 1 64 64 PRO CB C 61 30.800 30.800 30.979 -0.179 18318 6171 1 15 . 1 1 65 65 PHE N N 62 120.500 120.500 119.957 0.543 18318 6172 1 15 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.358 -0.078 18318 6173 1 15 . 1 1 65 65 PHE C C 62 176.400 176.400 176.650 -0.250 18318 6174 1 15 . 1 1 65 65 PHE CA C 62 62.400 62.400 59.433 2.967 18318 6175 1 15 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.011 -0.412 18318 6176 1 15 . 1 1 65 65 PHE H H 62 8.500 8.500 7.964 0.536 18318 6177 1 15 . 1 1 66 66 GLU N N 63 120.200 120.200 120.189 0.011 18318 6178 1 15 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.666 0.364 18318 6179 1 15 . 1 1 66 66 GLU C C 63 179.300 179.300 178.581 0.719 18318 6180 1 15 . 1 1 66 66 GLU CA C 63 59.200 59.200 58.888 0.312 18318 6181 1 15 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.720 -1.220 18318 6182 1 15 . 1 1 66 66 GLU H H 63 8.900 8.900 8.157 0.743 18318 6183 1 15 . 1 1 67 67 ALA N N 64 120.600 120.600 122.130 -1.530 18318 6184 1 15 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.035 -0.165 18318 6185 1 15 . 1 1 67 67 ALA C C 64 180.500 180.500 179.481 1.019 18318 6186 1 15 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.150 -0.450 18318 6187 1 15 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.180 -0.080 18318 6188 1 15 . 1 1 67 67 ALA H H 64 8.150 8.150 7.516 0.634 18318 6189 1 15 . 1 1 68 68 PHE N N 65 120.000 120.000 119.561 0.439 18318 6190 1 15 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.197 0.123 18318 6191 1 15 . 1 1 68 68 PHE C C 65 175.400 175.400 177.214 -1.814 18318 6192 1 15 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.777 0.023 18318 6193 1 15 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.732 -0.732 18318 6194 1 15 . 1 1 68 68 PHE H H 65 7.810 7.810 7.759 0.051 18318 6195 1 15 . 1 1 69 69 GLU N N 66 119.400 119.400 117.721 1.679 18318 6196 1 15 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.428 0.742 18318 6197 1 15 . 1 1 69 69 GLU C C 66 178.800 178.800 178.924 -0.124 18318 6198 1 15 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.279 0.921 18318 6199 1 15 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.979 0.121 18318 6200 1 15 . 1 1 69 69 GLU H H 66 8.330 8.330 7.641 0.689 18318 6201 1 15 . 1 1 70 70 GLU N N 67 118.600 118.600 119.003 -0.403 18318 6202 1 15 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.101 -0.131 18318 6203 1 15 . 1 1 70 70 GLU C C 67 177.700 177.700 178.324 -0.624 18318 6204 1 15 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.797 0.003 18318 6205 1 15 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.554 -0.854 18318 6206 1 15 . 1 1 70 70 GLU H H 67 8.240 8.240 7.464 0.776 18318 6207 1 15 . 1 1 71 71 CYS N N 68 119.100 119.100 119.569 -0.469 18318 6208 1 15 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.203 -0.123 18318 6209 1 15 . 1 1 71 71 CYS C C 68 177.900 177.900 177.313 0.587 18318 6210 1 15 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.356 -2.756 18318 6211 1 15 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.842 12.158 18318 6212 1 15 . 1 1 71 71 CYS H H 68 7.580 7.580 7.749 -0.169 18318 6213 1 15 . 1 1 72 72 LEU N N 69 122.000 122.000 117.911 4.089 18318 6214 1 15 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.137 -0.437 18318 6215 1 15 . 1 1 72 72 LEU C C 69 179.300 179.300 179.251 0.049 18318 6216 1 15 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.905 0.695 18318 6217 1 15 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.004 -0.004 18318 6218 1 15 . 1 1 72 72 LEU H H 69 8.090 8.090 7.538 0.552 18318 6219 1 15 . 1 1 73 73 ARG N N 70 117.400 117.400 118.266 -0.866 18318 6220 1 15 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.957 0.053 18318 6221 1 15 . 1 1 73 73 ARG C C 70 178.500 178.500 178.085 0.415 18318 6222 1 15 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.806 -0.106 18318 6223 1 15 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.648 0.453 18318 6224 1 15 . 1 1 73 73 ARG H H 70 7.600 7.600 7.605 -0.005 18318 6225 1 15 . 1 1 74 74 GLN N N 71 115.800 115.800 113.986 1.814 18318 6226 1 15 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.417 -0.127 18318 6227 1 15 . 1 1 74 74 GLN C C 71 176.200 176.200 176.034 0.166 18318 6228 1 15 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.513 -0.113 18318 6229 1 15 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.879 -1.679 18318 6230 1 15 . 1 1 74 74 GLN H H 71 7.580 7.580 7.542 0.038 18318 6231 1 15 . 1 1 75 75 ASN N N 72 118.600 118.600 118.019 0.581 18318 6232 1 15 . 1 1 75 75 ASN HA H 72 4.990 4.990 5.047 -0.057 18318 6233 1 15 . 1 1 75 75 ASN C C 72 174.800 174.800 175.445 -0.645 18318 6234 1 15 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.517 0.483 18318 6235 1 15 . 1 1 75 75 ASN CB C 72 39.800 39.800 39.276 0.524 18318 6236 1 15 . 1 1 75 75 ASN H H 72 7.750 7.750 8.166 -0.416 18318 6237 1 15 . 1 1 76 76 GLU N N 73 120.200 120.200 122.288 -2.088 18318 6238 1 15 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.907 0.053 18318 6239 1 15 . 1 1 76 76 GLU C C 73 176.800 176.800 176.791 0.009 18318 6240 1 15 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.401 -0.201 18318 6241 1 15 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.270 -0.170 18318 6242 1 15 . 1 1 76 76 GLU H H 73 7.950 7.950 8.002 -0.052 18318 6243 1 15 . 1 1 77 77 ALA N N 74 119.200 119.200 120.795 -1.595 18318 6244 1 15 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.493 -0.133 18318 6245 1 15 . 1 1 77 77 ALA C C 74 175.400 175.400 176.896 -1.496 18318 6246 1 15 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.649 0.451 18318 6247 1 15 . 1 1 77 77 ALA CB C 74 18.200 18.200 17.911 0.289 18318 6248 1 15 . 1 1 77 77 ALA H H 74 8.320 8.320 8.039 0.281 18318 6249 1 15 . 1 1 78 78 ALA N N 75 124.400 124.400 122.571 1.829 18318 6250 1 15 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.691 -0.311 18318 6251 1 15 . 1 1 78 78 ALA C C 75 177.200 177.200 178.371 -1.171 18318 6252 1 15 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.833 -0.433 18318 6253 1 15 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.639 -1.639 18318 6254 1 15 . 1 1 78 78 ALA H H 75 7.900 7.900 7.518 0.382 18318 6255 1 15 . 1 1 79 79 VAL N N 76 118.400 118.400 119.481 -1.081 18318 6256 1 15 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.126 -0.336 18318 6257 1 15 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.234 0.866 18318 6258 1 15 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.574 0.726 18318 6259 1 15 . 1 1 79 79 VAL H H 76 8.100 8.100 8.358 -0.258 18318 6260 1 15 . 1 1 80 80 GLY C C 77 175.900 175.900 175.599 0.301 18318 6261 1 15 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.180 0.220 18318 6262 1 15 . 1 1 81 81 ASN N N 78 119.300 119.300 119.101 0.199 18318 6263 1 15 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.771 -0.171 18318 6264 1 15 . 1 1 81 81 ASN C C 78 176.700 176.700 175.122 1.578 18318 6265 1 15 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.495 0.005 18318 6266 1 15 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.172 -2.872 18318 6267 1 15 . 1 1 81 81 ASN H H 78 8.200 8.200 8.004 0.196 18318 6268 1 15 . 1 1 82 82 CYS N N 79 117.200 117.200 115.418 1.782 18318 6269 1 15 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.798 0.602 18318 6270 1 15 . 1 1 82 82 CYS C C 79 175.800 175.800 172.793 3.007 18318 6271 1 15 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.699 -3.199 18318 6272 1 15 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.141 9.159 18318 6273 1 15 . 1 1 82 82 CYS H H 79 8.330 8.330 7.729 0.601 18318 6274 1 15 . 1 1 83 83 ALA N N 80 125.000 125.000 126.595 -1.595 18318 6275 1 15 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.841 -0.691 18318 6276 1 15 . 1 1 83 83 ALA C C 80 179.900 179.900 177.303 2.597 18318 6277 1 15 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.877 4.323 18318 6278 1 15 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.584 -1.384 18318 6279 1 15 . 1 1 83 83 ALA H H 80 7.700 7.700 8.451 -0.751 18318 6280 1 15 . 1 1 84 84 GLU N N 81 118.900 118.900 122.332 -3.432 18318 6281 1 15 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.969 -0.019 18318 6282 1 15 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.674 0.326 18318 6283 1 15 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.630 -0.730 18318 6284 1 15 . 1 1 84 84 GLU H H 81 8.920 8.920 8.840 0.080 18318 6285 1 15 . 1 1 85 85 HIS C C 82 178.500 178.500 175.860 2.640 18318 6286 1 15 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.211 -2.111 18318 6287 1 15 . 1 1 86 86 MET N N 83 118.800 118.800 115.506 3.294 18318 6288 1 15 . 1 1 86 86 MET C C 83 177.200 177.200 177.910 -0.710 18318 6289 1 15 . 1 1 86 86 MET CA C 83 58.900 58.900 57.891 1.009 18318 6290 1 15 . 1 1 86 86 MET CB C 83 31.300 31.300 32.204 -0.904 18318 6291 1 15 . 1 1 86 86 MET H H 83 7.460 7.460 6.708 0.752 18318 6292 1 15 . 1 1 87 87 ARG N N 84 119.500 119.500 120.531 -1.031 18318 6293 1 15 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.993 -0.083 18318 6294 1 15 . 1 1 87 87 ARG C C 84 178.600 178.600 178.506 0.094 18318 6295 1 15 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.939 0.961 18318 6296 1 15 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.789 -0.289 18318 6297 1 15 . 1 1 87 87 ARG H H 84 8.220 8.220 7.197 1.023 18318 6298 1 15 . 1 1 88 88 ARG N N 85 117.900 117.900 119.423 -1.523 18318 6299 1 15 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.919 0.001 18318 6300 1 15 . 1 1 88 88 ARG C C 85 179.700 179.700 178.433 1.267 18318 6301 1 15 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.841 -0.341 18318 6302 1 15 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.705 0.295 18318 6303 1 15 . 1 1 88 88 ARG H H 85 8.100 8.100 8.194 -0.094 18318 6304 1 15 . 1 1 89 89 PHE N N 86 119.700 119.700 116.819 2.881 18318 6305 1 15 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.321 0.029 18318 6306 1 15 . 1 1 89 89 PHE C C 86 175.600 175.600 177.944 -2.344 18318 6307 1 15 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.131 0.969 18318 6308 1 15 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.089 -0.289 18318 6309 1 15 . 1 1 89 89 PHE H H 86 7.930 7.930 7.025 0.905 18318 6310 1 15 . 1 1 90 90 LEU N N 87 120.400 120.400 121.022 -0.622 18318 6311 1 15 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.016 -0.306 18318 6312 1 15 . 1 1 90 90 LEU C C 87 179.200 179.200 178.797 0.403 18318 6313 1 15 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.076 -0.376 18318 6314 1 15 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.197 -0.896 18318 6315 1 15 . 1 1 90 90 LEU H H 87 8.640 8.640 7.730 0.910 18318 6316 1 15 . 1 1 91 91 GLN N N 88 118.200 118.200 118.615 -0.415 18318 6317 1 15 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.125 -0.085 18318 6318 1 15 . 1 1 91 91 GLN C C 88 178.000 178.000 178.758 -0.758 18318 6319 1 15 . 1 1 91 91 GLN CA C 88 58.700 58.700 58.616 0.084 18318 6320 1 15 . 1 1 91 91 GLN CB C 88 28.000 28.000 27.739 0.261 18318 6321 1 15 . 1 1 91 91 GLN H H 88 8.380 8.380 8.523 -0.143 18318 6322 1 15 . 1 1 92 92 CYS N N 89 119.000 119.000 118.349 0.651 18318 6323 1 15 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.672 -0.622 18318 6324 1 15 . 1 1 92 92 CYS C C 89 176.600 176.600 177.194 -0.594 18318 6325 1 15 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.244 -1.144 18318 6326 1 15 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.643 13.857 18318 6327 1 15 . 1 1 92 92 CYS H H 89 7.390 7.390 7.873 -0.483 18318 6328 1 15 . 1 1 93 93 ALA N N 90 122.900 122.900 122.708 0.192 18318 6329 1 15 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.166 -0.256 18318 6330 1 15 . 1 1 93 93 ALA C C 90 179.200 179.200 178.407 0.793 18318 6331 1 15 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.493 0.207 18318 6332 1 15 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.589 -0.789 18318 6333 1 15 . 1 1 93 93 ALA H H 90 8.410 8.410 7.886 0.524 18318 6334 1 15 . 1 1 94 94 GLU N N 91 115.800 115.800 117.475 -1.675 18318 6335 1 15 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.241 -0.091 18318 6336 1 15 . 1 1 94 94 GLU C C 91 177.400 177.400 178.251 -0.851 18318 6337 1 15 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.916 -0.016 18318 6338 1 15 . 1 1 94 94 GLU CB C 91 29.400 29.400 30.318 -0.918 18318 6339 1 15 . 1 1 94 94 GLU H H 91 7.880 7.880 7.874 0.006 18318 6340 1 15 . 1 1 95 95 GLN N N 92 115.500 115.500 118.442 -2.942 18318 6341 1 15 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.167 0.123 18318 6342 1 15 . 1 1 95 95 GLN C C 92 176.600 176.600 176.142 0.458 18318 6343 1 15 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.661 -1.361 18318 6344 1 15 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.367 -0.467 18318 6345 1 15 . 1 1 95 95 GLN H H 92 7.450 7.450 7.776 -0.326 18318 6346 1 16 . 1 1 15 15 CYS N N 12 117.500 117.500 121.730 -4.230 18318 6347 1 16 . 1 1 15 15 CYS C C 12 175.500 175.500 175.959 -0.459 18318 6348 1 16 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.756 -5.056 18318 6349 1 16 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.019 7.681 18318 6350 1 16 . 1 1 15 15 CYS H H 12 8.280 8.280 9.270 -0.990 18318 6351 1 16 . 1 1 16 16 GLY N N 13 108.700 108.700 111.787 -3.087 18318 6352 1 16 . 1 1 16 16 GLY C C 13 176.600 176.600 175.558 1.042 18318 6353 1 16 . 1 1 16 16 GLY CA C 13 47.900 47.900 47.165 0.735 18318 6354 1 16 . 1 1 16 16 GLY H H 13 8.080 8.080 8.981 -0.901 18318 6355 1 16 . 1 1 17 17 ARG N N 14 123.300 123.300 121.415 1.885 18318 6356 1 16 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.252 -0.292 18318 6357 1 16 . 1 1 17 17 ARG C C 14 179.300 179.300 177.768 1.532 18318 6358 1 16 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.760 0.440 18318 6359 1 16 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.886 -0.786 18318 6360 1 16 . 1 1 17 17 ARG H H 14 8.630 8.630 8.242 0.388 18318 6361 1 16 . 1 1 18 18 GLU N N 15 121.900 121.900 120.340 1.560 18318 6362 1 16 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.150 0.020 18318 6363 1 16 . 1 1 18 18 GLU C C 15 177.900 177.900 178.722 -0.822 18318 6364 1 16 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.696 1.404 18318 6365 1 16 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.618 -1.418 18318 6366 1 16 . 1 1 18 18 GLU H H 15 9.670 9.670 8.074 1.596 18318 6367 1 16 . 1 1 19 19 LEU N N 16 119.400 119.400 119.658 -0.258 18318 6368 1 16 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.467 2.433 18318 6369 1 16 . 1 1 19 19 LEU H H 16 8.090 8.090 7.622 0.468 18318 6370 1 16 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.014 -0.334 18318 6371 1 16 . 1 1 20 20 GLU C C 17 177.200 177.200 179.515 -2.315 18318 6372 1 16 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.770 -0.470 18318 6373 1 16 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.538 -0.538 18318 6374 1 16 . 1 1 21 21 GLN N N 18 118.500 118.500 118.569 -0.069 18318 6375 1 16 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.180 -0.140 18318 6376 1 16 . 1 1 21 21 GLN C C 18 177.200 177.200 178.360 -1.160 18318 6377 1 16 . 1 1 21 21 GLN CA C 18 59.000 59.000 57.990 1.010 18318 6378 1 16 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.910 -0.210 18318 6379 1 16 . 1 1 21 21 GLN H H 18 8.560 8.560 7.885 0.675 18318 6380 1 16 . 1 1 22 22 TYR N N 19 120.700 120.700 121.318 -0.618 18318 6381 1 16 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.373 -0.093 18318 6382 1 16 . 1 1 22 22 TYR C C 19 176.600 176.600 178.053 -1.453 18318 6383 1 16 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.642 1.458 18318 6384 1 16 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.221 0.679 18318 6385 1 16 . 1 1 22 22 TYR H H 19 8.120 8.120 8.861 -0.741 18318 6386 1 16 . 1 1 23 23 GLY N N 20 105.600 105.600 106.918 -1.318 18318 6387 1 16 . 1 1 23 23 GLY C C 20 176.700 176.700 175.983 0.717 18318 6388 1 16 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.627 0.472 18318 6389 1 16 . 1 1 23 23 GLY H H 20 8.390 8.390 7.646 0.744 18318 6390 1 16 . 1 1 24 24 GLN N N 21 120.300 120.300 121.449 -1.149 18318 6391 1 16 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.155 -0.105 18318 6392 1 16 . 1 1 24 24 GLN C C 21 178.000 178.000 178.213 -0.213 18318 6393 1 16 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.973 -0.373 18318 6394 1 16 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.768 -1.168 18318 6395 1 16 . 1 1 24 24 GLN H H 21 8.130 8.130 7.624 0.506 18318 6396 1 16 . 1 1 25 25 CYS N N 22 121.500 121.500 117.987 3.513 18318 6397 1 16 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.544 -0.264 18318 6398 1 16 . 1 1 25 25 CYS C C 22 175.400 175.400 177.592 -2.192 18318 6399 1 16 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.984 -2.384 18318 6400 1 16 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.446 13.454 18318 6401 1 16 . 1 1 25 25 CYS H H 22 7.610 7.610 8.230 -0.620 18318 6402 1 16 . 1 1 26 26 VAL N N 23 119.900 119.900 118.916 0.984 18318 6403 1 16 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.191 -0.401 18318 6404 1 16 . 1 1 26 26 VAL C C 23 177.100 177.100 177.334 -0.234 18318 6405 1 16 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.429 1.471 18318 6406 1 16 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.328 -2.028 18318 6407 1 16 . 1 1 26 26 VAL H H 23 8.040 8.040 7.392 0.648 18318 6408 1 16 . 1 1 27 27 ALA N N 24 117.400 117.400 121.992 -4.592 18318 6409 1 16 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.116 -0.016 18318 6410 1 16 . 1 1 27 27 ALA C C 24 178.600 178.600 178.838 -0.238 18318 6411 1 16 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.545 -0.446 18318 6412 1 16 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.615 -0.715 18318 6413 1 16 . 1 1 27 27 ALA H H 24 7.430 7.430 7.557 -0.127 18318 6414 1 16 . 1 1 28 28 ALA N N 25 116.100 116.100 120.994 -4.894 18318 6415 1 16 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.128 0.202 18318 6416 1 16 . 1 1 28 28 ALA C C 25 178.100 178.100 177.744 0.356 18318 6417 1 16 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.888 -1.288 18318 6418 1 16 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.745 -0.645 18318 6419 1 16 . 1 1 28 28 ALA H H 25 7.120 7.120 7.936 -0.816 18318 6420 1 16 . 1 1 29 29 LYS N N 26 119.200 119.200 114.015 5.185 18318 6421 1 16 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.421 5.279 18318 6422 1 16 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.721 -2.621 18318 6423 1 16 . 1 1 29 29 LYS H H 26 7.560 7.560 7.395 0.165 18318 6424 1 16 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.341 -0.131 18318 6425 1 16 . 1 1 30 30 PRO C C 27 177.000 177.000 178.520 -1.520 18318 6426 1 16 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.475 0.425 18318 6427 1 16 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.066 -0.466 18318 6428 1 16 . 1 1 31 31 GLU N N 28 114.600 114.600 118.996 -4.396 18318 6429 1 16 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.366 0.084 18318 6430 1 16 . 1 1 31 31 GLU C C 28 176.100 176.100 178.661 -2.561 18318 6431 1 16 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.228 -1.028 18318 6432 1 16 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.039 0.561 18318 6433 1 16 . 1 1 31 31 GLU H H 28 8.770 8.770 8.815 -0.045 18318 6434 1 16 . 1 1 32 32 SER N N 29 111.000 111.000 115.113 -4.113 18318 6435 1 16 . 1 1 32 32 SER HA H 29 4.510 4.510 4.277 0.233 18318 6436 1 16 . 1 1 32 32 SER C C 29 176.600 176.600 176.024 0.576 18318 6437 1 16 . 1 1 32 32 SER CA C 29 58.500 58.500 61.048 -2.548 18318 6438 1 16 . 1 1 32 32 SER CB C 29 63.800 63.800 62.760 1.040 18318 6439 1 16 . 1 1 32 32 SER H H 29 7.750 7.750 8.359 -0.609 18318 6440 1 16 . 1 1 33 33 TRP N N 30 125.000 125.000 124.274 0.726 18318 6441 1 16 . 1 1 33 33 TRP C C 30 177.200 177.200 177.628 -0.428 18318 6442 1 16 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.757 -0.757 18318 6443 1 16 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.642 0.858 18318 6444 1 16 . 1 1 33 33 TRP H H 30 7.820 7.820 7.636 0.184 18318 6445 1 16 . 1 1 34 34 GLN N N 31 123.600 123.600 116.767 6.833 18318 6446 1 16 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.873 0.577 18318 6447 1 16 . 1 1 34 34 GLN C C 31 176.800 176.800 177.391 -0.591 18318 6448 1 16 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.630 2.270 18318 6449 1 16 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.560 -2.060 18318 6450 1 16 . 1 1 34 34 GLN H H 31 8.240 8.240 7.522 0.718 18318 6451 1 16 . 1 1 35 35 ARG N N 32 115.900 115.900 118.651 -2.751 18318 6452 1 16 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.027 0.253 18318 6453 1 16 . 1 1 35 35 ARG C C 32 178.900 178.900 178.464 0.436 18318 6454 1 16 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.962 -1.562 18318 6455 1 16 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.504 0.796 18318 6456 1 16 . 1 1 35 35 ARG H H 32 7.450 7.450 7.485 -0.035 18318 6457 1 16 . 1 1 36 36 ASP N N 33 117.700 117.700 118.682 -0.982 18318 6458 1 16 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.543 -0.403 18318 6459 1 16 . 1 1 36 36 ASP C C 33 177.600 177.600 177.129 0.471 18318 6460 1 16 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.484 0.716 18318 6461 1 16 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.199 -0.299 18318 6462 1 16 . 1 1 36 36 ASP H H 33 8.760 8.760 8.374 0.386 18318 6463 1 16 . 1 1 37 37 CYS N N 34 113.300 113.300 116.109 -2.809 18318 6464 1 16 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.828 0.572 18318 6465 1 16 . 1 1 37 37 CYS C C 34 175.800 175.800 174.540 1.260 18318 6466 1 16 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.922 -3.822 18318 6467 1 16 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.950 13.550 18318 6468 1 16 . 1 1 37 37 CYS H H 34 8.260 8.260 7.721 0.539 18318 6469 1 16 . 1 1 38 38 HIS N N 35 124.200 124.200 124.588 -0.388 18318 6470 1 16 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.362 -0.012 18318 6471 1 16 . 1 1 38 38 HIS C C 35 177.400 177.400 176.011 1.389 18318 6472 1 16 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.942 2.058 18318 6473 1 16 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.986 -0.386 18318 6474 1 16 . 1 1 38 38 HIS H H 35 7.520 7.520 8.443 -0.923 18318 6475 1 16 . 1 1 39 39 TYR N N 36 117.100 117.100 118.308 -1.208 18318 6476 1 16 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.086 0.214 18318 6477 1 16 . 1 1 39 39 TYR C C 36 177.700 177.700 177.628 0.072 18318 6478 1 16 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.537 -0.937 18318 6479 1 16 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.968 -1.768 18318 6480 1 16 . 1 1 39 39 TYR H H 36 8.930 8.930 8.639 0.291 18318 6481 1 16 . 1 1 40 40 LEU N N 37 122.000 122.000 118.059 3.941 18318 6482 1 16 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.031 0.139 18318 6483 1 16 . 1 1 40 40 LEU C C 37 179.400 179.400 178.552 0.848 18318 6484 1 16 . 1 1 40 40 LEU CA C 37 56.500 56.500 58.167 -1.667 18318 6485 1 16 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.602 0.798 18318 6486 1 16 . 1 1 40 40 LEU H H 37 6.940 6.940 8.342 -1.402 18318 6487 1 16 . 1 1 41 41 LYS N N 38 125.300 125.300 119.206 6.094 18318 6488 1 16 . 1 1 41 41 LYS C C 38 179.600 179.600 178.461 1.139 18318 6489 1 16 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.534 0.066 18318 6490 1 16 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.994 -0.994 18318 6491 1 16 . 1 1 41 41 LYS H H 38 7.880 7.880 7.728 0.152 18318 6492 1 16 . 1 1 42 42 MET N N 39 117.600 117.600 117.725 -0.125 18318 6493 1 16 . 1 1 42 42 MET HA H 39 4.120 4.120 4.299 -0.179 18318 6494 1 16 . 1 1 42 42 MET C C 39 178.900 178.900 178.251 0.649 18318 6495 1 16 . 1 1 42 42 MET CA C 39 57.200 57.200 57.741 -0.541 18318 6496 1 16 . 1 1 42 42 MET CB C 39 30.000 30.000 31.593 -1.593 18318 6497 1 16 . 1 1 42 42 MET H H 39 8.090 8.090 7.403 0.687 18318 6498 1 16 . 1 1 43 43 SER N N 40 115.900 115.900 116.477 -0.577 18318 6499 1 16 . 1 1 43 43 SER HA H 40 4.290 4.290 4.335 -0.045 18318 6500 1 16 . 1 1 43 43 SER C C 40 177.400 177.400 176.435 0.965 18318 6501 1 16 . 1 1 43 43 SER CA C 40 61.700 61.700 61.377 0.323 18318 6502 1 16 . 1 1 43 43 SER CB C 40 62.500 62.500 63.636 -1.136 18318 6503 1 16 . 1 1 43 43 SER H H 40 7.600 7.600 7.678 -0.078 18318 6504 1 16 . 1 1 44 44 ILE N N 41 121.900 121.900 119.078 2.822 18318 6505 1 16 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.766 -0.226 18318 6506 1 16 . 1 1 44 44 ILE C C 41 177.500 177.500 177.197 0.303 18318 6507 1 16 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.791 1.309 18318 6508 1 16 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.649 0.251 18318 6509 1 16 . 1 1 44 44 ILE H H 41 7.540 7.540 8.515 -0.975 18318 6510 1 16 . 1 1 45 45 ALA N N 42 122.600 122.600 122.377 0.223 18318 6511 1 16 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.995 0.185 18318 6512 1 16 . 1 1 45 45 ALA C C 42 180.200 180.200 179.789 0.411 18318 6513 1 16 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.317 -0.517 18318 6514 1 16 . 1 1 45 45 ALA CB C 42 17.300 17.300 17.892 -0.592 18318 6515 1 16 . 1 1 45 45 ALA H H 42 7.420 7.420 7.729 -0.309 18318 6516 1 16 . 1 1 46 46 GLN N N 43 118.400 118.400 118.496 -0.096 18318 6517 1 16 . 1 1 46 46 GLN HA H 43 3.970 3.970 3.953 0.017 18318 6518 1 16 . 1 1 46 46 GLN C C 43 178.500 178.500 178.069 0.431 18318 6519 1 16 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.881 -0.181 18318 6520 1 16 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.593 -0.793 18318 6521 1 16 . 1 1 46 46 GLN H H 43 8.290 8.290 7.906 0.384 18318 6522 1 16 . 1 1 47 47 CYS N N 44 119.500 119.500 118.304 1.196 18318 6523 1 16 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.180 -0.090 18318 6524 1 16 . 1 1 47 47 CYS C C 44 176.500 176.500 177.914 -1.414 18318 6525 1 16 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.169 -1.869 18318 6526 1 16 . 1 1 47 47 CYS CB C 44 39.900 39.900 25.948 13.952 18318 6527 1 16 . 1 1 47 47 CYS H H 44 7.590 7.590 7.853 -0.263 18318 6528 1 16 . 1 1 48 48 THR N N 45 113.000 113.000 115.864 -2.864 18318 6529 1 16 . 1 1 48 48 THR C C 45 175.900 175.900 176.216 -0.316 18318 6530 1 16 . 1 1 48 48 THR CA C 45 65.400 65.400 65.675 -0.275 18318 6531 1 16 . 1 1 48 48 THR CB C 45 68.800 68.800 68.241 0.559 18318 6532 1 16 . 1 1 48 48 THR H H 45 8.810 8.810 7.864 0.946 18318 6533 1 16 . 1 1 49 49 SER N N 46 113.200 113.200 116.830 -3.630 18318 6534 1 16 . 1 1 49 49 SER HA H 46 4.380 4.380 4.151 0.229 18318 6535 1 16 . 1 1 49 49 SER C C 46 175.600 175.600 176.630 -1.030 18318 6536 1 16 . 1 1 49 49 SER CA C 46 60.000 60.000 61.016 -1.016 18318 6537 1 16 . 1 1 49 49 SER CB C 46 63.900 63.900 62.786 1.114 18318 6538 1 16 . 1 1 49 49 SER H H 46 7.890 7.890 8.154 -0.264 18318 6539 1 16 . 1 1 50 50 SER N N 47 114.100 114.100 116.951 -2.851 18318 6540 1 16 . 1 1 50 50 SER HA H 47 4.390 4.390 4.211 0.179 18318 6541 1 16 . 1 1 50 50 SER CA C 47 59.100 59.100 61.314 -2.214 18318 6542 1 16 . 1 1 50 50 SER CB C 47 64.800 64.800 63.578 1.222 18318 6543 1 16 . 1 1 50 50 SER H H 47 7.770 7.770 7.525 0.245 18318 6544 1 16 . 1 1 55 55 ARG HA H 52 4.590 4.590 3.852 0.738 18318 6545 1 16 . 1 1 55 55 ARG C C 52 178.500 178.500 177.993 0.507 18318 6546 1 16 . 1 1 55 55 ARG CA C 52 60.000 60.000 59.720 0.280 18318 6547 1 16 . 1 1 56 56 GLN N N 53 117.700 117.700 118.393 -0.693 18318 6548 1 16 . 1 1 56 56 GLN C C 53 175.000 175.000 178.187 -3.187 18318 6549 1 16 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.603 1.597 18318 6550 1 16 . 1 1 56 56 GLN H H 53 8.110 8.110 7.806 0.304 18318 6551 1 16 . 1 1 57 57 ILE N N 54 121.200 121.200 118.456 2.744 18318 6552 1 16 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.792 -0.472 18318 6553 1 16 . 1 1 57 57 ILE C C 54 178.700 178.700 178.343 0.357 18318 6554 1 16 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.163 1.837 18318 6555 1 16 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.979 -0.279 18318 6556 1 16 . 1 1 57 57 ILE H H 54 7.820 7.820 8.206 -0.386 18318 6557 1 16 . 1 1 58 58 ARG N N 55 118.900 118.900 120.134 -1.234 18318 6558 1 16 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.945 0.365 18318 6559 1 16 . 1 1 58 58 ARG C C 55 178.600 178.600 178.955 -0.355 18318 6560 1 16 . 1 1 58 58 ARG CA C 55 59.900 59.900 59.646 0.254 18318 6561 1 16 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.740 1.760 18318 6562 1 16 . 1 1 58 58 ARG H H 55 8.250 8.250 7.820 0.430 18318 6563 1 16 . 1 1 59 59 GLN N N 56 115.800 115.800 116.660 -0.860 18318 6564 1 16 . 1 1 59 59 GLN C C 56 178.100 178.100 176.646 1.454 18318 6565 1 16 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.883 0.117 18318 6566 1 16 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.821 -0.021 18318 6567 1 16 . 1 1 59 59 GLN H H 56 7.920 7.920 7.737 0.183 18318 6568 1 16 . 1 1 60 60 ALA N N 57 121.600 121.600 120.537 1.063 18318 6569 1 16 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.404 -0.224 18318 6570 1 16 . 1 1 60 60 ALA C C 57 179.600 179.600 177.585 2.015 18318 6571 1 16 . 1 1 60 60 ALA CA C 57 54.500 54.500 51.370 3.130 18318 6572 1 16 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.020 -0.121 18318 6573 1 16 . 1 1 60 60 ALA H H 57 8.490 8.490 7.550 0.940 18318 6574 1 16 . 1 1 61 61 CYS N N 58 114.000 114.000 116.658 -2.658 18318 6575 1 16 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.334 0.796 18318 6576 1 16 . 1 1 61 61 CYS C C 58 175.000 175.000 175.908 -0.908 18318 6577 1 16 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.100 -6.400 18318 6578 1 16 . 1 1 61 61 CYS CB C 58 39.800 39.800 27.545 12.255 18318 6579 1 16 . 1 1 61 61 CYS H H 58 8.370 8.370 7.698 0.672 18318 6580 1 16 . 1 1 62 62 ALA N N 59 124.900 124.900 127.611 -2.711 18318 6581 1 16 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.227 0.043 18318 6582 1 16 . 1 1 62 62 ALA C C 59 179.200 179.200 178.734 0.466 18318 6583 1 16 . 1 1 62 62 ALA CA C 59 56.500 56.500 52.883 3.617 18318 6584 1 16 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.892 -1.092 18318 6585 1 16 . 1 1 62 62 ALA H H 59 7.200 7.200 8.536 -1.336 18318 6586 1 16 . 1 1 63 63 GLN N N 60 115.800 115.800 119.996 -4.196 18318 6587 1 16 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.073 0.407 18318 6588 1 16 . 1 1 63 63 GLN CA C 60 61.200 61.200 61.008 0.192 18318 6589 1 16 . 1 1 63 63 GLN CB C 60 24.700 24.700 27.056 -2.356 18318 6590 1 16 . 1 1 63 63 GLN H H 60 9.040 9.040 8.701 0.339 18318 6591 1 16 . 1 1 64 64 PRO C C 61 179.700 179.700 178.217 1.483 18318 6592 1 16 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.783 -0.183 18318 6593 1 16 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.338 -0.538 18318 6594 1 16 . 1 1 65 65 PHE N N 62 120.500 120.500 117.601 2.899 18318 6595 1 16 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.491 -0.211 18318 6596 1 16 . 1 1 65 65 PHE C C 62 176.400 176.400 177.429 -1.029 18318 6597 1 16 . 1 1 65 65 PHE CA C 62 62.400 62.400 61.127 1.274 18318 6598 1 16 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.099 -0.499 18318 6599 1 16 . 1 1 65 65 PHE H H 62 8.500 8.500 8.336 0.164 18318 6600 1 16 . 1 1 66 66 GLU N N 63 120.200 120.200 120.715 -0.515 18318 6601 1 16 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.146 -0.116 18318 6602 1 16 . 1 1 66 66 GLU C C 63 179.300 179.300 178.155 1.145 18318 6603 1 16 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.535 -0.335 18318 6604 1 16 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.537 -1.037 18318 6605 1 16 . 1 1 66 66 GLU H H 63 8.900 8.900 8.298 0.602 18318 6606 1 16 . 1 1 67 67 ALA N N 64 120.600 120.600 121.114 -0.514 18318 6607 1 16 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.129 -0.259 18318 6608 1 16 . 1 1 67 67 ALA C C 64 180.500 180.500 179.238 1.262 18318 6609 1 16 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.623 0.077 18318 6610 1 16 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.371 -0.271 18318 6611 1 16 . 1 1 67 67 ALA H H 64 8.150 8.150 7.589 0.561 18318 6612 1 16 . 1 1 68 68 PHE N N 65 120.000 120.000 118.606 1.394 18318 6613 1 16 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.280 0.040 18318 6614 1 16 . 1 1 68 68 PHE C C 65 175.400 175.400 176.526 -1.126 18318 6615 1 16 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.853 -0.053 18318 6616 1 16 . 1 1 68 68 PHE CB C 65 38.000 38.000 39.321 -1.321 18318 6617 1 16 . 1 1 68 68 PHE H H 65 7.810 7.810 7.626 0.184 18318 6618 1 16 . 1 1 69 69 GLU N N 66 119.400 119.400 119.679 -0.279 18318 6619 1 16 . 1 1 69 69 GLU HA H 66 4.170 4.170 2.954 1.216 18318 6620 1 16 . 1 1 69 69 GLU C C 66 178.800 178.800 178.709 0.091 18318 6621 1 16 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.745 1.455 18318 6622 1 16 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.590 0.510 18318 6623 1 16 . 1 1 69 69 GLU H H 66 8.330 8.330 7.796 0.534 18318 6624 1 16 . 1 1 70 70 GLU N N 67 118.600 118.600 118.215 0.385 18318 6625 1 16 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.208 -0.238 18318 6626 1 16 . 1 1 70 70 GLU C C 67 177.700 177.700 178.046 -0.346 18318 6627 1 16 . 1 1 70 70 GLU CA C 67 58.800 58.800 57.738 1.062 18318 6628 1 16 . 1 1 70 70 GLU CB C 67 28.700 28.700 30.181 -1.481 18318 6629 1 16 . 1 1 70 70 GLU H H 67 8.240 8.240 7.690 0.550 18318 6630 1 16 . 1 1 71 71 CYS N N 68 119.100 119.100 119.195 -0.095 18318 6631 1 16 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.174 -0.094 18318 6632 1 16 . 1 1 71 71 CYS C C 68 177.900 177.900 177.161 0.739 18318 6633 1 16 . 1 1 71 71 CYS CA C 68 60.600 60.600 62.643 -2.043 18318 6634 1 16 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.618 12.382 18318 6635 1 16 . 1 1 71 71 CYS H H 68 7.580 7.580 7.786 -0.206 18318 6636 1 16 . 1 1 72 72 LEU N N 69 122.000 122.000 117.838 4.162 18318 6637 1 16 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.251 -0.551 18318 6638 1 16 . 1 1 72 72 LEU C C 69 179.300 179.300 178.950 0.350 18318 6639 1 16 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.534 1.066 18318 6640 1 16 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.153 -0.153 18318 6641 1 16 . 1 1 72 72 LEU H H 69 8.090 8.090 7.661 0.429 18318 6642 1 16 . 1 1 73 73 ARG N N 70 117.400 117.400 119.334 -1.934 18318 6643 1 16 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.927 0.083 18318 6644 1 16 . 1 1 73 73 ARG C C 70 178.500 178.500 177.912 0.588 18318 6645 1 16 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.858 -0.158 18318 6646 1 16 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.030 0.070 18318 6647 1 16 . 1 1 73 73 ARG H H 70 7.600 7.600 7.391 0.209 18318 6648 1 16 . 1 1 74 74 GLN N N 71 115.800 115.800 115.242 0.558 18318 6649 1 16 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.442 -0.152 18318 6650 1 16 . 1 1 74 74 GLN C C 71 176.200 176.200 175.213 0.987 18318 6651 1 16 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.287 0.113 18318 6652 1 16 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.484 -1.284 18318 6653 1 16 . 1 1 74 74 GLN H H 71 7.580 7.580 7.570 0.010 18318 6654 1 16 . 1 1 75 75 ASN N N 72 118.600 118.600 117.753 0.847 18318 6655 1 16 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.911 0.079 18318 6656 1 16 . 1 1 75 75 ASN C C 72 174.800 174.800 173.965 0.835 18318 6657 1 16 . 1 1 75 75 ASN CA C 72 53.000 53.000 53.011 -0.011 18318 6658 1 16 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.426 1.374 18318 6659 1 16 . 1 1 75 75 ASN H H 72 7.750 7.750 7.685 0.065 18318 6660 1 16 . 1 1 76 76 GLU N N 73 120.200 120.200 120.909 -0.709 18318 6661 1 16 . 1 1 76 76 GLU HA H 73 3.960 3.960 4.011 -0.051 18318 6662 1 16 . 1 1 76 76 GLU C C 73 176.800 176.800 177.511 -0.711 18318 6663 1 16 . 1 1 76 76 GLU CA C 73 59.200 59.200 58.889 0.311 18318 6664 1 16 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.671 -0.571 18318 6665 1 16 . 1 1 76 76 GLU H H 73 7.950 7.950 8.101 -0.151 18318 6666 1 16 . 1 1 77 77 ALA N N 74 119.200 119.200 120.885 -1.685 18318 6667 1 16 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.405 -0.045 18318 6668 1 16 . 1 1 77 77 ALA C C 74 175.400 175.400 177.743 -2.343 18318 6669 1 16 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.960 -0.860 18318 6670 1 16 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.547 -0.347 18318 6671 1 16 . 1 1 77 77 ALA H H 74 8.320 8.320 8.203 0.117 18318 6672 1 16 . 1 1 78 78 ALA N N 75 124.400 124.400 121.044 3.356 18318 6673 1 16 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.441 -0.061 18318 6674 1 16 . 1 1 78 78 ALA C C 75 177.200 177.200 178.188 -0.988 18318 6675 1 16 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.796 -0.396 18318 6676 1 16 . 1 1 78 78 ALA CB C 75 18.000 18.000 17.922 0.078 18318 6677 1 16 . 1 1 78 78 ALA H H 75 7.900 7.900 7.314 0.586 18318 6678 1 16 . 1 1 79 79 VAL N N 76 118.400 118.400 118.645 -0.245 18318 6679 1 16 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.838 -0.048 18318 6680 1 16 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.805 0.295 18318 6681 1 16 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.541 -0.242 18318 6682 1 16 . 1 1 79 79 VAL H H 76 8.100 8.100 7.756 0.344 18318 6683 1 16 . 1 1 80 80 GLY C C 77 175.900 175.900 175.104 0.796 18318 6684 1 16 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.818 -0.418 18318 6685 1 16 . 1 1 81 81 ASN N N 78 119.300 119.300 118.991 0.309 18318 6686 1 16 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.884 -0.284 18318 6687 1 16 . 1 1 81 81 ASN C C 78 176.700 176.700 174.995 1.705 18318 6688 1 16 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.512 -0.012 18318 6689 1 16 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.014 -2.714 18318 6690 1 16 . 1 1 81 81 ASN H H 78 8.200 8.200 7.885 0.315 18318 6691 1 16 . 1 1 82 82 CYS N N 79 117.200 117.200 117.118 0.082 18318 6692 1 16 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.974 0.426 18318 6693 1 16 . 1 1 82 82 CYS C C 79 175.800 175.800 173.509 2.291 18318 6694 1 16 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.526 -2.026 18318 6695 1 16 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.477 9.823 18318 6696 1 16 . 1 1 82 82 CYS H H 79 8.330 8.330 7.742 0.588 18318 6697 1 16 . 1 1 83 83 ALA N N 80 125.000 125.000 125.912 -0.912 18318 6698 1 16 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.683 -0.533 18318 6699 1 16 . 1 1 83 83 ALA C C 80 179.900 179.900 177.539 2.361 18318 6700 1 16 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.930 5.270 18318 6701 1 16 . 1 1 83 83 ALA CB C 80 18.200 18.200 21.056 -2.856 18318 6702 1 16 . 1 1 83 83 ALA H H 80 7.700 7.700 8.338 -0.638 18318 6703 1 16 . 1 1 84 84 GLU N N 81 118.900 118.900 123.357 -4.457 18318 6704 1 16 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.886 0.064 18318 6705 1 16 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.702 0.298 18318 6706 1 16 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.259 -0.359 18318 6707 1 16 . 1 1 84 84 GLU H H 81 8.920 8.920 8.835 0.085 18318 6708 1 16 . 1 1 85 85 HIS C C 82 178.500 178.500 177.740 0.760 18318 6709 1 16 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.310 -2.210 18318 6710 1 16 . 1 1 86 86 MET N N 83 118.800 118.800 118.732 0.068 18318 6711 1 16 . 1 1 86 86 MET C C 83 177.200 177.200 178.230 -1.030 18318 6712 1 16 . 1 1 86 86 MET CA C 83 58.900 58.900 58.542 0.358 18318 6713 1 16 . 1 1 86 86 MET CB C 83 31.300 31.300 32.202 -0.902 18318 6714 1 16 . 1 1 86 86 MET H H 83 7.460 7.460 8.424 -0.964 18318 6715 1 16 . 1 1 87 87 ARG N N 84 119.500 119.500 118.101 1.399 18318 6716 1 16 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.176 -0.266 18318 6717 1 16 . 1 1 87 87 ARG C C 84 178.600 178.600 178.810 -0.210 18318 6718 1 16 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.786 1.114 18318 6719 1 16 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.385 0.115 18318 6720 1 16 . 1 1 87 87 ARG H H 84 8.220 8.220 8.205 0.015 18318 6721 1 16 . 1 1 88 88 ARG N N 85 117.900 117.900 119.150 -1.250 18318 6722 1 16 . 1 1 88 88 ARG HA H 85 3.920 3.920 3.927 -0.007 18318 6723 1 16 . 1 1 88 88 ARG C C 85 179.700 179.700 179.016 0.684 18318 6724 1 16 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.044 1.456 18318 6725 1 16 . 1 1 88 88 ARG CB C 85 30.000 30.000 28.788 1.212 18318 6726 1 16 . 1 1 88 88 ARG H H 85 8.100 8.100 7.610 0.490 18318 6727 1 16 . 1 1 89 89 PHE N N 86 119.700 119.700 121.038 -1.338 18318 6728 1 16 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.211 0.139 18318 6729 1 16 . 1 1 89 89 PHE C C 86 175.600 175.600 176.837 -1.237 18318 6730 1 16 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.653 0.447 18318 6731 1 16 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.945 -1.145 18318 6732 1 16 . 1 1 89 89 PHE H H 86 7.930 7.930 7.965 -0.035 18318 6733 1 16 . 1 1 90 90 LEU N N 87 120.400 120.400 117.982 2.418 18318 6734 1 16 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.759 -0.049 18318 6735 1 16 . 1 1 90 90 LEU C C 87 179.200 179.200 179.032 0.168 18318 6736 1 16 . 1 1 90 90 LEU CA C 87 57.700 57.700 56.716 0.984 18318 6737 1 16 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.034 -1.734 18318 6738 1 16 . 1 1 90 90 LEU H H 87 8.640 8.640 7.480 1.160 18318 6739 1 16 . 1 1 91 91 GLN N N 88 118.200 118.200 118.584 -0.384 18318 6740 1 16 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.119 -0.079 18318 6741 1 16 . 1 1 91 91 GLN C C 88 178.000 178.000 178.143 -0.143 18318 6742 1 16 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.206 -0.506 18318 6743 1 16 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.752 -0.752 18318 6744 1 16 . 1 1 91 91 GLN H H 88 8.380 8.380 8.535 -0.155 18318 6745 1 16 . 1 1 92 92 CYS N N 89 119.000 119.000 117.509 1.491 18318 6746 1 16 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.288 -0.238 18318 6747 1 16 . 1 1 92 92 CYS C C 89 176.600 176.600 176.513 0.087 18318 6748 1 16 . 1 1 92 92 CYS CA C 89 60.100 60.100 60.596 -0.496 18318 6749 1 16 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.919 13.581 18318 6750 1 16 . 1 1 92 92 CYS H H 89 7.390 7.390 7.863 -0.473 18318 6751 1 16 . 1 1 93 93 ALA N N 90 122.900 122.900 121.620 1.280 18318 6752 1 16 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.175 -0.265 18318 6753 1 16 . 1 1 93 93 ALA C C 90 179.200 179.200 178.325 0.875 18318 6754 1 16 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.580 0.120 18318 6755 1 16 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.375 -0.575 18318 6756 1 16 . 1 1 93 93 ALA H H 90 8.410 8.410 7.734 0.676 18318 6757 1 16 . 1 1 94 94 GLU N N 91 115.800 115.800 119.007 -3.207 18318 6758 1 16 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.139 0.011 18318 6759 1 16 . 1 1 94 94 GLU C C 91 177.400 177.400 178.628 -1.228 18318 6760 1 16 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.531 0.369 18318 6761 1 16 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.861 -0.461 18318 6762 1 16 . 1 1 94 94 GLU H H 91 7.880 7.880 7.770 0.110 18318 6763 1 16 . 1 1 95 95 GLN N N 92 115.500 115.500 118.715 -3.215 18318 6764 1 16 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.109 0.181 18318 6765 1 16 . 1 1 95 95 GLN C C 92 176.600 176.600 176.951 -0.351 18318 6766 1 16 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.026 -0.726 18318 6767 1 16 . 1 1 95 95 GLN CB C 92 28.900 28.900 28.393 0.506 18318 6768 1 16 . 1 1 95 95 GLN H H 92 7.450 7.450 7.857 -0.407 18318 6769 1 17 . 1 1 15 15 CYS N N 12 117.500 117.500 119.047 -1.547 18318 6770 1 17 . 1 1 15 15 CYS C C 12 175.500 175.500 175.393 0.107 18318 6771 1 17 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.788 -5.088 18318 6772 1 17 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.831 5.869 18318 6773 1 17 . 1 1 15 15 CYS H H 12 8.280 8.280 8.644 -0.364 18318 6774 1 17 . 1 1 16 16 GLY N N 13 108.700 108.700 109.932 -1.232 18318 6775 1 17 . 1 1 16 16 GLY C C 13 176.600 176.600 175.122 1.478 18318 6776 1 17 . 1 1 16 16 GLY CA C 13 47.900 47.900 44.887 3.013 18318 6777 1 17 . 1 1 16 16 GLY H H 13 8.080 8.080 8.862 -0.782 18318 6778 1 17 . 1 1 17 17 ARG N N 14 123.300 123.300 120.461 2.839 18318 6779 1 17 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.061 -0.101 18318 6780 1 17 . 1 1 17 17 ARG C C 14 179.300 179.300 177.204 2.096 18318 6781 1 17 . 1 1 17 17 ARG CA C 14 59.200 59.200 58.633 0.567 18318 6782 1 17 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.222 -0.122 18318 6783 1 17 . 1 1 17 17 ARG H H 14 8.630 8.630 8.281 0.349 18318 6784 1 17 . 1 1 18 18 GLU N N 15 121.900 121.900 119.050 2.850 18318 6785 1 17 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.610 -0.440 18318 6786 1 17 . 1 1 18 18 GLU C C 15 177.900 177.900 178.330 -0.430 18318 6787 1 17 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.158 2.942 18318 6788 1 17 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.756 -1.556 18318 6789 1 17 . 1 1 18 18 GLU H H 15 9.670 9.670 8.262 1.408 18318 6790 1 17 . 1 1 19 19 LEU N N 16 119.400 119.400 121.995 -2.595 18318 6791 1 17 . 1 1 19 19 LEU CA C 16 59.900 59.900 58.002 1.898 18318 6792 1 17 . 1 1 19 19 LEU H H 16 8.090 8.090 8.026 0.064 18318 6793 1 17 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.117 -0.437 18318 6794 1 17 . 1 1 20 20 GLU C C 17 177.200 177.200 178.783 -1.583 18318 6795 1 17 . 1 1 20 20 GLU CA C 17 59.300 59.300 58.836 0.464 18318 6796 1 17 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.026 -0.026 18318 6797 1 17 . 1 1 21 21 GLN N N 18 118.500 118.500 120.592 -2.092 18318 6798 1 17 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.193 -0.153 18318 6799 1 17 . 1 1 21 21 GLN C C 18 177.200 177.200 177.682 -0.482 18318 6800 1 17 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.824 0.176 18318 6801 1 17 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.290 -0.590 18318 6802 1 17 . 1 1 21 21 GLN H H 18 8.560 8.560 7.694 0.866 18318 6803 1 17 . 1 1 22 22 TYR N N 19 120.700 120.700 120.589 0.111 18318 6804 1 17 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.753 -0.473 18318 6805 1 17 . 1 1 22 22 TYR C C 19 176.600 176.600 177.744 -1.144 18318 6806 1 17 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.663 1.437 18318 6807 1 17 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.629 0.271 18318 6808 1 17 . 1 1 22 22 TYR H H 19 8.120 8.120 8.853 -0.733 18318 6809 1 17 . 1 1 23 23 GLY N N 20 105.600 105.600 107.357 -1.757 18318 6810 1 17 . 1 1 23 23 GLY C C 20 176.700 176.700 175.887 0.813 18318 6811 1 17 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.888 0.212 18318 6812 1 17 . 1 1 23 23 GLY H H 20 8.390 8.390 7.963 0.427 18318 6813 1 17 . 1 1 24 24 GLN N N 21 120.300 120.300 121.350 -1.050 18318 6814 1 17 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.097 -0.047 18318 6815 1 17 . 1 1 24 24 GLN C C 21 178.000 178.000 178.186 -0.186 18318 6816 1 17 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.565 -0.965 18318 6817 1 17 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.618 -1.018 18318 6818 1 17 . 1 1 24 24 GLN H H 21 8.130 8.130 7.675 0.455 18318 6819 1 17 . 1 1 25 25 CYS N N 22 121.500 121.500 118.958 2.542 18318 6820 1 17 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.248 0.032 18318 6821 1 17 . 1 1 25 25 CYS C C 22 175.400 175.400 177.449 -2.049 18318 6822 1 17 . 1 1 25 25 CYS CA C 22 60.600 60.600 63.516 -2.916 18318 6823 1 17 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.331 13.569 18318 6824 1 17 . 1 1 25 25 CYS H H 22 7.610 7.610 7.933 -0.323 18318 6825 1 17 . 1 1 26 26 VAL N N 23 119.900 119.900 118.262 1.638 18318 6826 1 17 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.029 -0.239 18318 6827 1 17 . 1 1 26 26 VAL C C 23 177.100 177.100 177.536 -0.436 18318 6828 1 17 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.232 0.668 18318 6829 1 17 . 1 1 26 26 VAL CB C 23 29.300 29.300 30.942 -1.642 18318 6830 1 17 . 1 1 26 26 VAL H H 23 8.040 8.040 7.605 0.435 18318 6831 1 17 . 1 1 27 27 ALA N N 24 117.400 117.400 122.074 -4.674 18318 6832 1 17 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.140 -0.040 18318 6833 1 17 . 1 1 27 27 ALA C C 24 178.600 178.600 179.024 -0.424 18318 6834 1 17 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.471 -0.371 18318 6835 1 17 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.877 -0.977 18318 6836 1 17 . 1 1 27 27 ALA H H 24 7.430 7.430 7.764 -0.334 18318 6837 1 17 . 1 1 28 28 ALA N N 25 116.100 116.100 120.981 -4.881 18318 6838 1 17 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.152 0.178 18318 6839 1 17 . 1 1 28 28 ALA C C 25 178.100 178.100 178.164 -0.064 18318 6840 1 17 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.846 -1.246 18318 6841 1 17 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.594 -0.494 18318 6842 1 17 . 1 1 28 28 ALA H H 25 7.120 7.120 7.943 -0.823 18318 6843 1 17 . 1 1 29 29 LYS N N 26 119.200 119.200 113.778 5.422 18318 6844 1 17 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.546 5.154 18318 6845 1 17 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.820 -2.720 18318 6846 1 17 . 1 1 29 29 LYS H H 26 7.560 7.560 7.571 -0.011 18318 6847 1 17 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.280 -0.070 18318 6848 1 17 . 1 1 30 30 PRO C C 27 177.000 177.000 178.243 -1.243 18318 6849 1 17 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.425 0.475 18318 6850 1 17 . 1 1 30 30 PRO CB C 27 31.600 31.600 31.962 -0.362 18318 6851 1 17 . 1 1 31 31 GLU N N 28 114.600 114.600 118.196 -3.596 18318 6852 1 17 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.269 0.181 18318 6853 1 17 . 1 1 31 31 GLU C C 28 176.100 176.100 178.038 -1.938 18318 6854 1 17 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.193 -0.993 18318 6855 1 17 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.250 1.349 18318 6856 1 17 . 1 1 31 31 GLU H H 28 8.770 8.770 8.854 -0.084 18318 6857 1 17 . 1 1 32 32 SER N N 29 111.000 111.000 115.854 -4.854 18318 6858 1 17 . 1 1 32 32 SER HA H 29 4.510 4.510 4.230 0.280 18318 6859 1 17 . 1 1 32 32 SER C C 29 176.600 176.600 175.920 0.680 18318 6860 1 17 . 1 1 32 32 SER CA C 29 58.500 58.500 60.316 -1.816 18318 6861 1 17 . 1 1 32 32 SER CB C 29 63.800 63.800 62.627 1.173 18318 6862 1 17 . 1 1 32 32 SER H H 29 7.750 7.750 8.299 -0.549 18318 6863 1 17 . 1 1 33 33 TRP N N 30 125.000 125.000 123.825 1.175 18318 6864 1 17 . 1 1 33 33 TRP C C 30 177.200 177.200 177.197 0.003 18318 6865 1 17 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.419 -0.418 18318 6866 1 17 . 1 1 33 33 TRP CB C 30 29.500 29.500 29.068 0.432 18318 6867 1 17 . 1 1 33 33 TRP H H 30 7.820 7.820 7.686 0.134 18318 6868 1 17 . 1 1 34 34 GLN N N 31 123.600 123.600 118.134 5.466 18318 6869 1 17 . 1 1 34 34 GLN HA H 31 4.450 4.450 4.041 0.409 18318 6870 1 17 . 1 1 34 34 GLN C C 31 176.800 176.800 178.308 -1.508 18318 6871 1 17 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.885 2.015 18318 6872 1 17 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.997 -2.497 18318 6873 1 17 . 1 1 34 34 GLN H H 31 8.240 8.240 7.581 0.659 18318 6874 1 17 . 1 1 35 35 ARG N N 32 115.900 115.900 119.347 -3.447 18318 6875 1 17 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.996 0.284 18318 6876 1 17 . 1 1 35 35 ARG C C 32 178.900 178.900 177.931 0.969 18318 6877 1 17 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.140 -1.740 18318 6878 1 17 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.110 1.190 18318 6879 1 17 . 1 1 35 35 ARG H H 32 7.450 7.450 7.512 -0.062 18318 6880 1 17 . 1 1 36 36 ASP N N 33 117.700 117.700 118.498 -0.798 18318 6881 1 17 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.558 -0.418 18318 6882 1 17 . 1 1 36 36 ASP C C 33 177.600 177.600 177.196 0.404 18318 6883 1 17 . 1 1 36 36 ASP CA C 33 57.200 57.200 57.346 -0.146 18318 6884 1 17 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.916 -1.016 18318 6885 1 17 . 1 1 36 36 ASP H H 33 8.760 8.760 8.129 0.631 18318 6886 1 17 . 1 1 37 37 CYS N N 34 113.300 113.300 118.479 -5.179 18318 6887 1 17 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.684 0.716 18318 6888 1 17 . 1 1 37 37 CYS C C 34 175.800 175.800 174.303 1.497 18318 6889 1 17 . 1 1 37 37 CYS CA C 34 53.100 53.100 57.947 -4.848 18318 6890 1 17 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.178 14.322 18318 6891 1 17 . 1 1 37 37 CYS H H 34 8.260 8.260 7.582 0.678 18318 6892 1 17 . 1 1 38 38 HIS N N 35 124.200 124.200 124.331 -0.131 18318 6893 1 17 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.405 -0.055 18318 6894 1 17 . 1 1 38 38 HIS C C 35 177.400 177.400 176.402 0.998 18318 6895 1 17 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.129 1.871 18318 6896 1 17 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.880 -0.280 18318 6897 1 17 . 1 1 38 38 HIS H H 35 7.520 7.520 8.075 -0.555 18318 6898 1 17 . 1 1 39 39 TYR N N 36 117.100 117.100 117.591 -0.491 18318 6899 1 17 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.329 -0.029 18318 6900 1 17 . 1 1 39 39 TYR C C 36 177.700 177.700 177.527 0.173 18318 6901 1 17 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.363 -0.763 18318 6902 1 17 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.105 -1.905 18318 6903 1 17 . 1 1 39 39 TYR H H 36 8.930 8.930 8.596 0.334 18318 6904 1 17 . 1 1 40 40 LEU N N 37 122.000 122.000 118.642 3.358 18318 6905 1 17 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.055 0.115 18318 6906 1 17 . 1 1 40 40 LEU C C 37 179.400 179.400 178.798 0.602 18318 6907 1 17 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.984 -1.484 18318 6908 1 17 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.402 0.998 18318 6909 1 17 . 1 1 40 40 LEU H H 37 6.940 6.940 8.029 -1.089 18318 6910 1 17 . 1 1 41 41 LYS N N 38 125.300 125.300 119.554 5.746 18318 6911 1 17 . 1 1 41 41 LYS C C 38 179.600 179.600 178.881 0.719 18318 6912 1 17 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.985 0.615 18318 6913 1 17 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.531 -0.531 18318 6914 1 17 . 1 1 41 41 LYS H H 38 7.880 7.880 7.468 0.412 18318 6915 1 17 . 1 1 42 42 MET N N 39 117.600 117.600 117.347 0.253 18318 6916 1 17 . 1 1 42 42 MET HA H 39 4.120 4.120 4.468 -0.348 18318 6917 1 17 . 1 1 42 42 MET C C 39 178.900 178.900 178.031 0.869 18318 6918 1 17 . 1 1 42 42 MET CA C 39 57.200 57.200 57.533 -0.334 18318 6919 1 17 . 1 1 42 42 MET CB C 39 30.000 30.000 32.864 -2.864 18318 6920 1 17 . 1 1 42 42 MET H H 39 8.090 8.090 7.541 0.549 18318 6921 1 17 . 1 1 43 43 SER N N 40 115.900 115.900 116.854 -0.954 18318 6922 1 17 . 1 1 43 43 SER HA H 40 4.290 4.290 4.373 -0.083 18318 6923 1 17 . 1 1 43 43 SER C C 40 177.400 177.400 176.555 0.845 18318 6924 1 17 . 1 1 43 43 SER CA C 40 61.700 61.700 61.475 0.225 18318 6925 1 17 . 1 1 43 43 SER CB C 40 62.500 62.500 63.576 -1.076 18318 6926 1 17 . 1 1 43 43 SER H H 40 7.600 7.600 7.958 -0.358 18318 6927 1 17 . 1 1 44 44 ILE N N 41 121.900 121.900 118.648 3.252 18318 6928 1 17 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.874 -0.334 18318 6929 1 17 . 1 1 44 44 ILE C C 41 177.500 177.500 177.084 0.416 18318 6930 1 17 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.191 1.909 18318 6931 1 17 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.243 0.657 18318 6932 1 17 . 1 1 44 44 ILE H H 41 7.540 7.540 8.409 -0.869 18318 6933 1 17 . 1 1 45 45 ALA N N 42 122.600 122.600 122.241 0.359 18318 6934 1 17 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.074 0.106 18318 6935 1 17 . 1 1 45 45 ALA C C 42 180.200 180.200 180.083 0.117 18318 6936 1 17 . 1 1 45 45 ALA CA C 42 54.800 54.800 55.008 -0.208 18318 6937 1 17 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.331 -1.031 18318 6938 1 17 . 1 1 45 45 ALA H H 42 7.420 7.420 7.767 -0.347 18318 6939 1 17 . 1 1 46 46 GLN N N 43 118.400 118.400 117.615 0.785 18318 6940 1 17 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.116 -0.146 18318 6941 1 17 . 1 1 46 46 GLN C C 43 178.500 178.500 178.095 0.405 18318 6942 1 17 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.751 -0.051 18318 6943 1 17 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.304 -0.504 18318 6944 1 17 . 1 1 46 46 GLN H H 43 8.290 8.290 7.668 0.622 18318 6945 1 17 . 1 1 47 47 CYS N N 44 119.500 119.500 119.824 -0.324 18318 6946 1 17 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.242 -0.152 18318 6947 1 17 . 1 1 47 47 CYS C C 44 176.500 176.500 177.148 -0.648 18318 6948 1 17 . 1 1 47 47 CYS CA C 44 60.300 60.300 63.137 -2.837 18318 6949 1 17 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.725 13.175 18318 6950 1 17 . 1 1 47 47 CYS H H 44 7.590 7.590 7.874 -0.284 18318 6951 1 17 . 1 1 48 48 THR N N 45 113.000 113.000 113.376 -0.376 18318 6952 1 17 . 1 1 48 48 THR C C 45 175.900 175.900 175.972 -0.072 18318 6953 1 17 . 1 1 48 48 THR CA C 45 65.400 65.400 64.612 0.788 18318 6954 1 17 . 1 1 48 48 THR CB C 45 68.800 68.800 68.250 0.550 18318 6955 1 17 . 1 1 48 48 THR H H 45 8.810 8.810 7.893 0.917 18318 6956 1 17 . 1 1 49 49 SER N N 46 113.200 113.200 116.225 -3.025 18318 6957 1 17 . 1 1 49 49 SER HA H 46 4.380 4.380 4.311 0.069 18318 6958 1 17 . 1 1 49 49 SER C C 46 175.600 175.600 175.472 0.128 18318 6959 1 17 . 1 1 49 49 SER CA C 46 60.000 60.000 60.518 -0.518 18318 6960 1 17 . 1 1 49 49 SER CB C 46 63.900 63.900 63.912 -0.012 18318 6961 1 17 . 1 1 49 49 SER H H 46 7.890 7.890 7.806 0.084 18318 6962 1 17 . 1 1 50 50 SER N N 47 114.100 114.100 113.281 0.819 18318 6963 1 17 . 1 1 50 50 SER HA H 47 4.390 4.390 4.444 -0.054 18318 6964 1 17 . 1 1 50 50 SER CA C 47 59.100 59.100 58.831 0.269 18318 6965 1 17 . 1 1 50 50 SER CB C 47 64.800 64.800 64.860 -0.060 18318 6966 1 17 . 1 1 50 50 SER H H 47 7.770 7.770 8.344 -0.574 18318 6967 1 17 . 1 1 55 55 ARG HA H 52 4.590 4.590 3.983 0.607 18318 6968 1 17 . 1 1 55 55 ARG C C 52 178.500 178.500 177.133 1.367 18318 6969 1 17 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.655 1.345 18318 6970 1 17 . 1 1 56 56 GLN N N 53 117.700 117.700 118.232 -0.532 18318 6971 1 17 . 1 1 56 56 GLN C C 53 175.000 175.000 178.416 -3.416 18318 6972 1 17 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.672 1.528 18318 6973 1 17 . 1 1 56 56 GLN H H 53 8.110 8.110 8.323 -0.213 18318 6974 1 17 . 1 1 57 57 ILE N N 54 121.200 121.200 117.948 3.252 18318 6975 1 17 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.732 -0.412 18318 6976 1 17 . 1 1 57 57 ILE C C 54 178.700 178.700 177.983 0.717 18318 6977 1 17 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.309 2.691 18318 6978 1 17 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.041 0.659 18318 6979 1 17 . 1 1 57 57 ILE H H 54 7.820 7.820 7.918 -0.098 18318 6980 1 17 . 1 1 58 58 ARG N N 55 118.900 118.900 118.921 -0.021 18318 6981 1 17 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.648 0.662 18318 6982 1 17 . 1 1 58 58 ARG C C 55 178.600 178.600 177.705 0.895 18318 6983 1 17 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.114 1.786 18318 6984 1 17 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.125 2.375 18318 6985 1 17 . 1 1 58 58 ARG H H 55 8.250 8.250 7.812 0.438 18318 6986 1 17 . 1 1 59 59 GLN N N 56 115.800 115.800 118.362 -2.562 18318 6987 1 17 . 1 1 59 59 GLN C C 56 178.100 178.100 177.022 1.078 18318 6988 1 17 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.093 -0.093 18318 6989 1 17 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.206 0.594 18318 6990 1 17 . 1 1 59 59 GLN H H 56 7.920 7.920 7.797 0.123 18318 6991 1 17 . 1 1 60 60 ALA N N 57 121.600 121.600 119.794 1.806 18318 6992 1 17 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.185 -0.005 18318 6993 1 17 . 1 1 60 60 ALA C C 57 179.600 179.600 178.382 1.218 18318 6994 1 17 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.842 0.658 18318 6995 1 17 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.213 -0.313 18318 6996 1 17 . 1 1 60 60 ALA H H 57 8.490 8.490 7.477 1.013 18318 6997 1 17 . 1 1 61 61 CYS N N 58 114.000 114.000 116.962 -2.962 18318 6998 1 17 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.462 0.668 18318 6999 1 17 . 1 1 61 61 CYS C C 58 175.000 175.000 174.193 0.807 18318 7000 1 17 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.553 -6.853 18318 7001 1 17 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.098 14.702 18318 7002 1 17 . 1 1 61 61 CYS H H 58 8.370 8.370 7.773 0.597 18318 7003 1 17 . 1 1 62 62 ALA N N 59 124.900 124.900 128.450 -3.550 18318 7004 1 17 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.454 -0.184 18318 7005 1 17 . 1 1 62 62 ALA C C 59 179.200 179.200 178.499 0.701 18318 7006 1 17 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.239 3.261 18318 7007 1 17 . 1 1 62 62 ALA CB C 59 18.800 18.800 20.128 -1.327 18318 7008 1 17 . 1 1 62 62 ALA H H 59 7.200 7.200 8.148 -0.948 18318 7009 1 17 . 1 1 63 63 GLN N N 60 115.800 115.800 121.009 -5.209 18318 7010 1 17 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.123 0.357 18318 7011 1 17 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.661 0.539 18318 7012 1 17 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.893 -2.193 18318 7013 1 17 . 1 1 63 63 GLN H H 60 9.040 9.040 8.840 0.200 18318 7014 1 17 . 1 1 64 64 PRO C C 61 179.700 179.700 178.861 0.839 18318 7015 1 17 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.540 0.060 18318 7016 1 17 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.042 -0.242 18318 7017 1 17 . 1 1 65 65 PHE N N 62 120.500 120.500 119.881 0.619 18318 7018 1 17 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.326 -0.046 18318 7019 1 17 . 1 1 65 65 PHE C C 62 176.400 176.400 176.880 -0.480 18318 7020 1 17 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.545 1.855 18318 7021 1 17 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.912 -0.312 18318 7022 1 17 . 1 1 65 65 PHE H H 62 8.500 8.500 8.099 0.401 18318 7023 1 17 . 1 1 66 66 GLU N N 63 120.200 120.200 121.000 -0.800 18318 7024 1 17 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.687 0.343 18318 7025 1 17 . 1 1 66 66 GLU C C 63 179.300 179.300 178.412 0.888 18318 7026 1 17 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.485 -0.285 18318 7027 1 17 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.682 -1.182 18318 7028 1 17 . 1 1 66 66 GLU H H 63 8.900 8.900 8.514 0.386 18318 7029 1 17 . 1 1 67 67 ALA N N 64 120.600 120.600 122.523 -1.923 18318 7030 1 17 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.963 -0.093 18318 7031 1 17 . 1 1 67 67 ALA C C 64 180.500 180.500 179.566 0.934 18318 7032 1 17 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.035 -0.335 18318 7033 1 17 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.319 -0.219 18318 7034 1 17 . 1 1 67 67 ALA H H 64 8.150 8.150 7.402 0.748 18318 7035 1 17 . 1 1 68 68 PHE N N 65 120.000 120.000 119.083 0.917 18318 7036 1 17 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.086 0.234 18318 7037 1 17 . 1 1 68 68 PHE C C 65 175.400 175.400 177.124 -1.724 18318 7038 1 17 . 1 1 68 68 PHE CA C 65 59.800 59.800 60.256 -0.456 18318 7039 1 17 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.950 -0.950 18318 7040 1 17 . 1 1 68 68 PHE H H 65 7.810 7.810 7.808 0.002 18318 7041 1 17 . 1 1 69 69 GLU N N 66 119.400 119.400 118.640 0.760 18318 7042 1 17 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.180 0.990 18318 7043 1 17 . 1 1 69 69 GLU C C 66 178.800 178.800 178.876 -0.076 18318 7044 1 17 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.944 1.256 18318 7045 1 17 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.542 0.558 18318 7046 1 17 . 1 1 69 69 GLU H H 66 8.330 8.330 7.991 0.339 18318 7047 1 17 . 1 1 70 70 GLU N N 67 118.600 118.600 118.760 -0.160 18318 7048 1 17 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.051 -0.081 18318 7049 1 17 . 1 1 70 70 GLU C C 67 177.700 177.700 178.440 -0.740 18318 7050 1 17 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.574 0.226 18318 7051 1 17 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.718 -1.018 18318 7052 1 17 . 1 1 70 70 GLU H H 67 8.240 8.240 7.839 0.401 18318 7053 1 17 . 1 1 71 71 CYS N N 68 119.100 119.100 119.167 -0.067 18318 7054 1 17 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.145 -0.065 18318 7055 1 17 . 1 1 71 71 CYS C C 68 177.900 177.900 177.224 0.676 18318 7056 1 17 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.106 -2.506 18318 7057 1 17 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.688 12.312 18318 7058 1 17 . 1 1 71 71 CYS H H 68 7.580 7.580 7.727 -0.147 18318 7059 1 17 . 1 1 72 72 LEU N N 69 122.000 122.000 117.717 4.283 18318 7060 1 17 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.054 -0.354 18318 7061 1 17 . 1 1 72 72 LEU C C 69 179.300 179.300 179.054 0.246 18318 7062 1 17 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.731 0.869 18318 7063 1 17 . 1 1 72 72 LEU CB C 69 41.000 41.000 40.873 0.127 18318 7064 1 17 . 1 1 72 72 LEU H H 69 8.090 8.090 7.431 0.659 18318 7065 1 17 . 1 1 73 73 ARG N N 70 117.400 117.400 119.607 -2.207 18318 7066 1 17 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.893 0.117 18318 7067 1 17 . 1 1 73 73 ARG C C 70 178.500 178.500 177.925 0.575 18318 7068 1 17 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.851 -0.151 18318 7069 1 17 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.110 -0.010 18318 7070 1 17 . 1 1 73 73 ARG H H 70 7.600 7.600 7.292 0.308 18318 7071 1 17 . 1 1 74 74 GLN N N 71 115.800 115.800 114.540 1.260 18318 7072 1 17 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.453 -0.163 18318 7073 1 17 . 1 1 74 74 GLN C C 71 176.200 176.200 175.394 0.806 18318 7074 1 17 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.237 0.163 18318 7075 1 17 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.188 -0.988 18318 7076 1 17 . 1 1 74 74 GLN H H 71 7.580 7.580 7.600 -0.020 18318 7077 1 17 . 1 1 75 75 ASN N N 72 118.600 118.600 118.142 0.458 18318 7078 1 17 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.937 0.053 18318 7079 1 17 . 1 1 75 75 ASN C C 72 174.800 174.800 175.213 -0.413 18318 7080 1 17 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.923 0.077 18318 7081 1 17 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.852 0.948 18318 7082 1 17 . 1 1 75 75 ASN H H 72 7.750 7.750 7.805 -0.055 18318 7083 1 17 . 1 1 76 76 GLU N N 73 120.200 120.200 121.947 -1.747 18318 7084 1 17 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.905 0.055 18318 7085 1 17 . 1 1 76 76 GLU C C 73 176.800 176.800 176.800 0.000 18318 7086 1 17 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.400 -0.200 18318 7087 1 17 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.227 -0.127 18318 7088 1 17 . 1 1 76 76 GLU H H 73 7.950 7.950 8.058 -0.108 18318 7089 1 17 . 1 1 77 77 ALA N N 74 119.200 119.200 120.536 -1.336 18318 7090 1 17 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.454 -0.094 18318 7091 1 17 . 1 1 77 77 ALA C C 74 175.400 175.400 177.068 -1.668 18318 7092 1 17 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.729 0.371 18318 7093 1 17 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.084 0.116 18318 7094 1 17 . 1 1 77 77 ALA H H 74 8.320 8.320 8.026 0.294 18318 7095 1 17 . 1 1 78 78 ALA N N 75 124.400 124.400 122.665 1.735 18318 7096 1 17 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.621 -0.241 18318 7097 1 17 . 1 1 78 78 ALA C C 75 177.200 177.200 177.950 -0.750 18318 7098 1 17 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.447 -0.047 18318 7099 1 17 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.647 -1.647 18318 7100 1 17 . 1 1 78 78 ALA H H 75 7.900 7.900 7.466 0.434 18318 7101 1 17 . 1 1 79 79 VAL N N 76 118.400 118.400 118.775 -0.375 18318 7102 1 17 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.222 -0.432 18318 7103 1 17 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.774 1.326 18318 7104 1 17 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.679 0.621 18318 7105 1 17 . 1 1 79 79 VAL H H 76 8.100 8.100 8.305 -0.205 18318 7106 1 17 . 1 1 80 80 GLY C C 77 175.900 175.900 175.532 0.368 18318 7107 1 17 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.278 0.122 18318 7108 1 17 . 1 1 81 81 ASN N N 78 119.300 119.300 118.747 0.553 18318 7109 1 17 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.832 -0.232 18318 7110 1 17 . 1 1 81 81 ASN C C 78 176.700 176.700 175.406 1.294 18318 7111 1 17 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.081 0.419 18318 7112 1 17 . 1 1 81 81 ASN CB C 78 37.300 37.300 39.671 -2.371 18318 7113 1 17 . 1 1 81 81 ASN H H 78 8.200 8.200 7.796 0.404 18318 7114 1 17 . 1 1 82 82 CYS N N 79 117.200 117.200 116.107 1.093 18318 7115 1 17 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.749 0.651 18318 7116 1 17 . 1 1 82 82 CYS C C 79 175.800 175.800 173.353 2.447 18318 7117 1 17 . 1 1 82 82 CYS CA C 79 53.500 53.500 57.399 -3.899 18318 7118 1 17 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.328 9.973 18318 7119 1 17 . 1 1 82 82 CYS H H 79 8.330 8.330 8.093 0.237 18318 7120 1 17 . 1 1 83 83 ALA N N 80 125.000 125.000 125.091 -0.091 18318 7121 1 17 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.780 -0.630 18318 7122 1 17 . 1 1 83 83 ALA C C 80 179.900 179.900 177.447 2.453 18318 7123 1 17 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.047 4.153 18318 7124 1 17 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.206 -1.006 18318 7125 1 17 . 1 1 83 83 ALA H H 80 7.700 7.700 8.537 -0.837 18318 7126 1 17 . 1 1 84 84 GLU N N 81 118.900 118.900 120.009 -1.109 18318 7127 1 17 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.846 0.103 18318 7128 1 17 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.859 0.141 18318 7129 1 17 . 1 1 84 84 GLU CB C 81 28.900 28.900 28.910 -0.010 18318 7130 1 17 . 1 1 84 84 GLU H H 81 8.920 8.920 8.956 -0.036 18318 7131 1 17 . 1 1 85 85 HIS C C 82 178.500 178.500 176.567 1.933 18318 7132 1 17 . 1 1 85 85 HIS CA C 82 56.100 56.100 57.380 -1.280 18318 7133 1 17 . 1 1 86 86 MET N N 83 118.800 118.800 118.770 0.030 18318 7134 1 17 . 1 1 86 86 MET C C 83 177.200 177.200 178.439 -1.239 18318 7135 1 17 . 1 1 86 86 MET CA C 83 58.900 58.900 58.800 0.100 18318 7136 1 17 . 1 1 86 86 MET CB C 83 31.300 31.300 32.356 -1.056 18318 7137 1 17 . 1 1 86 86 MET H H 83 7.460 7.460 7.383 0.077 18318 7138 1 17 . 1 1 87 87 ARG N N 84 119.500 119.500 118.683 0.817 18318 7139 1 17 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.135 -0.225 18318 7140 1 17 . 1 1 87 87 ARG C C 84 178.600 178.600 178.973 -0.373 18318 7141 1 17 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.527 1.373 18318 7142 1 17 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.640 -0.140 18318 7143 1 17 . 1 1 87 87 ARG H H 84 8.220 8.220 7.654 0.566 18318 7144 1 17 . 1 1 88 88 ARG N N 85 117.900 117.900 119.575 -1.675 18318 7145 1 17 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.119 -0.199 18318 7146 1 17 . 1 1 88 88 ARG C C 85 179.700 179.700 178.646 1.054 18318 7147 1 17 . 1 1 88 88 ARG CA C 85 59.500 59.500 57.950 1.550 18318 7148 1 17 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.255 0.745 18318 7149 1 17 . 1 1 88 88 ARG H H 85 8.100 8.100 8.353 -0.253 18318 7150 1 17 . 1 1 89 89 PHE N N 86 119.700 119.700 120.816 -1.116 18318 7151 1 17 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.404 -0.054 18318 7152 1 17 . 1 1 89 89 PHE C C 86 175.600 175.600 177.127 -1.527 18318 7153 1 17 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.395 -0.295 18318 7154 1 17 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.462 -1.662 18318 7155 1 17 . 1 1 89 89 PHE H H 86 7.930 7.930 7.916 0.014 18318 7156 1 17 . 1 1 90 90 LEU N N 87 120.400 120.400 119.222 1.178 18318 7157 1 17 . 1 1 90 90 LEU HA H 87 3.710 3.710 4.175 -0.465 18318 7158 1 17 . 1 1 90 90 LEU C C 87 179.200 179.200 178.664 0.536 18318 7159 1 17 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.013 0.687 18318 7160 1 17 . 1 1 90 90 LEU CB C 87 40.300 40.300 42.162 -1.862 18318 7161 1 17 . 1 1 90 90 LEU H H 87 8.640 8.640 7.571 1.069 18318 7162 1 17 . 1 1 91 91 GLN N N 88 118.200 118.200 119.167 -0.967 18318 7163 1 17 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.185 -0.145 18318 7164 1 17 . 1 1 91 91 GLN C C 88 178.000 178.000 178.421 -0.421 18318 7165 1 17 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.112 -0.412 18318 7166 1 17 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.573 -0.573 18318 7167 1 17 . 1 1 91 91 GLN H H 88 8.380 8.380 8.530 -0.150 18318 7168 1 17 . 1 1 92 92 CYS N N 89 119.000 119.000 117.591 1.409 18318 7169 1 17 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.400 -0.350 18318 7170 1 17 . 1 1 92 92 CYS C C 89 176.600 176.600 177.243 -0.643 18318 7171 1 17 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.705 -1.605 18318 7172 1 17 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.872 13.629 18318 7173 1 17 . 1 1 92 92 CYS H H 89 7.390 7.390 7.748 -0.358 18318 7174 1 17 . 1 1 93 93 ALA N N 90 122.900 122.900 122.216 0.684 18318 7175 1 17 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.064 -0.154 18318 7176 1 17 . 1 1 93 93 ALA C C 90 179.200 179.200 178.894 0.306 18318 7177 1 17 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.612 0.088 18318 7178 1 17 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.125 -0.325 18318 7179 1 17 . 1 1 93 93 ALA H H 90 8.410 8.410 7.610 0.800 18318 7180 1 17 . 1 1 94 94 GLU N N 91 115.800 115.800 119.228 -3.428 18318 7181 1 17 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.007 0.143 18318 7182 1 17 . 1 1 94 94 GLU C C 91 177.400 177.400 178.625 -1.225 18318 7183 1 17 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.532 -0.632 18318 7184 1 17 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.562 -0.162 18318 7185 1 17 . 1 1 94 94 GLU H H 91 7.880 7.880 7.764 0.116 18318 7186 1 17 . 1 1 95 95 GLN N N 92 115.500 115.500 118.088 -2.588 18318 7187 1 17 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.046 0.244 18318 7188 1 17 . 1 1 95 95 GLN C C 92 176.600 176.600 176.244 0.356 18318 7189 1 17 . 1 1 95 95 GLN CA C 92 56.300 56.300 58.062 -1.762 18318 7190 1 17 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.260 -0.360 18318 7191 1 17 . 1 1 95 95 GLN H H 92 7.450 7.450 7.856 -0.406 18318 7192 1 18 . 1 1 15 15 CYS N N 12 117.500 117.500 124.731 -7.231 18318 7193 1 18 . 1 1 15 15 CYS C C 12 175.500 175.500 174.926 0.574 18318 7194 1 18 . 1 1 15 15 CYS CA C 12 53.700 53.700 57.770 -4.069 18318 7195 1 18 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.389 7.311 18318 7196 1 18 . 1 1 15 15 CYS H H 12 8.280 8.280 7.826 0.454 18318 7197 1 18 . 1 1 16 16 GLY N N 13 108.700 108.700 110.363 -1.663 18318 7198 1 18 . 1 1 16 16 GLY C C 13 176.600 176.600 174.988 1.612 18318 7199 1 18 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.133 1.767 18318 7200 1 18 . 1 1 16 16 GLY H H 13 8.080 8.080 8.776 -0.696 18318 7201 1 18 . 1 1 17 17 ARG N N 14 123.300 123.300 121.362 1.938 18318 7202 1 18 . 1 1 17 17 ARG HA H 14 3.960 3.960 3.960 0.000 18318 7203 1 18 . 1 1 17 17 ARG C C 14 179.300 179.300 177.524 1.776 18318 7204 1 18 . 1 1 17 17 ARG CA C 14 59.200 59.200 57.874 1.325 18318 7205 1 18 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.864 0.235 18318 7206 1 18 . 1 1 17 17 ARG H H 14 8.630 8.630 8.263 0.367 18318 7207 1 18 . 1 1 18 18 GLU N N 15 121.900 121.900 120.162 1.738 18318 7208 1 18 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.059 0.111 18318 7209 1 18 . 1 1 18 18 GLU C C 15 177.900 177.900 178.266 -0.366 18318 7210 1 18 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.474 1.626 18318 7211 1 18 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.251 -1.051 18318 7212 1 18 . 1 1 18 18 GLU H H 15 9.670 9.670 8.302 1.369 18318 7213 1 18 . 1 1 19 19 LEU N N 16 119.400 119.400 120.538 -1.138 18318 7214 1 18 . 1 1 19 19 LEU CA C 16 59.900 59.900 58.010 1.890 18318 7215 1 18 . 1 1 19 19 LEU H H 16 8.090 8.090 7.695 0.395 18318 7216 1 18 . 1 1 20 20 GLU HA H 17 3.680 3.680 3.848 -0.168 18318 7217 1 18 . 1 1 20 20 GLU C C 17 177.200 177.200 178.873 -1.673 18318 7218 1 18 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.784 -0.484 18318 7219 1 18 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.741 -0.741 18318 7220 1 18 . 1 1 21 21 GLN N N 18 118.500 118.500 118.995 -0.495 18318 7221 1 18 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.065 -0.025 18318 7222 1 18 . 1 1 21 21 GLN C C 18 177.200 177.200 178.214 -1.014 18318 7223 1 18 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.984 0.016 18318 7224 1 18 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.686 0.015 18318 7225 1 18 . 1 1 21 21 GLN H H 18 8.560 8.560 7.798 0.762 18318 7226 1 18 . 1 1 22 22 TYR N N 19 120.700 120.700 120.363 0.337 18318 7227 1 18 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.407 -0.127 18318 7228 1 18 . 1 1 22 22 TYR C C 19 176.600 176.600 178.095 -1.495 18318 7229 1 18 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.712 1.388 18318 7230 1 18 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.184 0.717 18318 7231 1 18 . 1 1 22 22 TYR H H 19 8.120 8.120 8.916 -0.796 18318 7232 1 18 . 1 1 23 23 GLY N N 20 105.600 105.600 105.596 0.004 18318 7233 1 18 . 1 1 23 23 GLY C C 20 176.700 176.700 176.030 0.670 18318 7234 1 18 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.696 0.404 18318 7235 1 18 . 1 1 23 23 GLY H H 20 8.390 8.390 8.156 0.234 18318 7236 1 18 . 1 1 24 24 GLN N N 21 120.300 120.300 121.890 -1.590 18318 7237 1 18 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.174 -0.124 18318 7238 1 18 . 1 1 24 24 GLN C C 21 178.000 178.000 178.278 -0.278 18318 7239 1 18 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.991 -0.391 18318 7240 1 18 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.480 -0.880 18318 7241 1 18 . 1 1 24 24 GLN H H 21 8.130 8.130 7.565 0.565 18318 7242 1 18 . 1 1 25 25 CYS N N 22 121.500 121.500 118.553 2.947 18318 7243 1 18 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.519 -0.239 18318 7244 1 18 . 1 1 25 25 CYS C C 22 175.400 175.400 177.603 -2.203 18318 7245 1 18 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.854 -2.254 18318 7246 1 18 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.401 13.499 18318 7247 1 18 . 1 1 25 25 CYS H H 22 7.610 7.610 8.147 -0.537 18318 7248 1 18 . 1 1 26 26 VAL N N 23 119.900 119.900 118.467 1.433 18318 7249 1 18 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.183 -0.393 18318 7250 1 18 . 1 1 26 26 VAL C C 23 177.100 177.100 177.176 -0.076 18318 7251 1 18 . 1 1 26 26 VAL CA C 23 65.900 65.900 64.864 1.036 18318 7252 1 18 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.750 -2.450 18318 7253 1 18 . 1 1 26 26 VAL H H 23 8.040 8.040 7.335 0.705 18318 7254 1 18 . 1 1 27 27 ALA N N 24 117.400 117.400 122.091 -4.691 18318 7255 1 18 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.095 0.005 18318 7256 1 18 . 1 1 27 27 ALA C C 24 178.600 178.600 178.941 -0.341 18318 7257 1 18 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.530 -0.430 18318 7258 1 18 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.569 -0.669 18318 7259 1 18 . 1 1 27 27 ALA H H 24 7.430 7.430 7.520 -0.090 18318 7260 1 18 . 1 1 28 28 ALA N N 25 116.100 116.100 121.032 -4.932 18318 7261 1 18 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.147 0.183 18318 7262 1 18 . 1 1 28 28 ALA C C 25 178.100 178.100 178.043 0.057 18318 7263 1 18 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.946 -1.346 18318 7264 1 18 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.498 -0.398 18318 7265 1 18 . 1 1 28 28 ALA H H 25 7.120 7.120 8.029 -0.909 18318 7266 1 18 . 1 1 29 29 LYS N N 26 119.200 119.200 113.737 5.463 18318 7267 1 18 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.671 5.029 18318 7268 1 18 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.666 -2.566 18318 7269 1 18 . 1 1 29 29 LYS H H 26 7.560 7.560 7.366 0.194 18318 7270 1 18 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.340 -0.130 18318 7271 1 18 . 1 1 30 30 PRO C C 27 177.000 177.000 178.433 -1.433 18318 7272 1 18 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.454 0.446 18318 7273 1 18 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.105 -0.505 18318 7274 1 18 . 1 1 31 31 GLU N N 28 114.600 114.600 118.116 -3.516 18318 7275 1 18 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.330 0.120 18318 7276 1 18 . 1 1 31 31 GLU C C 28 176.100 176.100 178.599 -2.499 18318 7277 1 18 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.100 -0.900 18318 7278 1 18 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.962 0.638 18318 7279 1 18 . 1 1 31 31 GLU H H 28 8.770 8.770 8.626 0.144 18318 7280 1 18 . 1 1 32 32 SER N N 29 111.000 111.000 114.944 -3.944 18318 7281 1 18 . 1 1 32 32 SER HA H 29 4.510 4.510 4.291 0.219 18318 7282 1 18 . 1 1 32 32 SER C C 29 176.600 176.600 175.694 0.906 18318 7283 1 18 . 1 1 32 32 SER CA C 29 58.500 58.500 61.078 -2.578 18318 7284 1 18 . 1 1 32 32 SER CB C 29 63.800 63.800 62.671 1.129 18318 7285 1 18 . 1 1 32 32 SER H H 29 7.750 7.750 8.349 -0.599 18318 7286 1 18 . 1 1 33 33 TRP N N 30 125.000 125.000 124.135 0.865 18318 7287 1 18 . 1 1 33 33 TRP C C 30 177.200 177.200 177.713 -0.513 18318 7288 1 18 . 1 1 33 33 TRP CA C 30 60.000 60.000 61.288 -1.288 18318 7289 1 18 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.752 0.748 18318 7290 1 18 . 1 1 33 33 TRP H H 30 7.820 7.820 7.634 0.186 18318 7291 1 18 . 1 1 34 34 GLN N N 31 123.600 123.600 114.776 8.824 18318 7292 1 18 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.771 0.679 18318 7293 1 18 . 1 1 34 34 GLN C C 31 176.800 176.800 177.111 -0.311 18318 7294 1 18 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.735 2.165 18318 7295 1 18 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.542 -2.042 18318 7296 1 18 . 1 1 34 34 GLN H H 31 8.240 8.240 7.438 0.802 18318 7297 1 18 . 1 1 35 35 ARG N N 32 115.900 115.900 118.277 -2.377 18318 7298 1 18 . 1 1 35 35 ARG HA H 32 4.280 4.280 3.885 0.395 18318 7299 1 18 . 1 1 35 35 ARG C C 32 178.900 178.900 178.036 0.864 18318 7300 1 18 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.735 -1.335 18318 7301 1 18 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.324 0.976 18318 7302 1 18 . 1 1 35 35 ARG H H 32 7.450 7.450 7.295 0.155 18318 7303 1 18 . 1 1 36 36 ASP N N 33 117.700 117.700 119.379 -1.679 18318 7304 1 18 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.508 -0.368 18318 7305 1 18 . 1 1 36 36 ASP C C 33 177.600 177.600 177.169 0.431 18318 7306 1 18 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.420 0.780 18318 7307 1 18 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.153 -0.253 18318 7308 1 18 . 1 1 36 36 ASP H H 33 8.760 8.760 8.408 0.352 18318 7309 1 18 . 1 1 37 37 CYS N N 34 113.300 113.300 115.682 -2.382 18318 7310 1 18 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.840 0.560 18318 7311 1 18 . 1 1 37 37 CYS C C 34 175.800 175.800 174.418 1.382 18318 7312 1 18 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.806 -3.706 18318 7313 1 18 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.976 13.524 18318 7314 1 18 . 1 1 37 37 CYS H H 34 8.260 8.260 7.718 0.542 18318 7315 1 18 . 1 1 38 38 HIS N N 35 124.200 124.200 125.144 -0.944 18318 7316 1 18 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.328 0.022 18318 7317 1 18 . 1 1 38 38 HIS C C 35 177.400 177.400 176.036 1.364 18318 7318 1 18 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.654 2.346 18318 7319 1 18 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.953 -0.353 18318 7320 1 18 . 1 1 38 38 HIS H H 35 7.520 7.520 8.499 -0.979 18318 7321 1 18 . 1 1 39 39 TYR N N 36 117.100 117.100 118.989 -1.889 18318 7322 1 18 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.293 0.007 18318 7323 1 18 . 1 1 39 39 TYR C C 36 177.700 177.700 177.168 0.532 18318 7324 1 18 . 1 1 39 39 TYR CA C 36 60.600 60.600 61.129 -0.529 18318 7325 1 18 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.256 -2.056 18318 7326 1 18 . 1 1 39 39 TYR H H 36 8.930 8.930 8.595 0.335 18318 7327 1 18 . 1 1 40 40 LEU N N 37 122.000 122.000 117.257 4.743 18318 7328 1 18 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.152 0.018 18318 7329 1 18 . 1 1 40 40 LEU C C 37 179.400 179.400 178.858 0.542 18318 7330 1 18 . 1 1 40 40 LEU CA C 37 56.500 56.500 56.949 -0.449 18318 7331 1 18 . 1 1 40 40 LEU CB C 37 42.400 42.400 40.829 1.571 18318 7332 1 18 . 1 1 40 40 LEU H H 37 6.940 6.940 8.268 -1.328 18318 7333 1 18 . 1 1 41 41 LYS N N 38 125.300 125.300 120.483 4.817 18318 7334 1 18 . 1 1 41 41 LYS C C 38 179.600 179.600 178.375 1.225 18318 7335 1 18 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.873 0.727 18318 7336 1 18 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.773 -1.773 18318 7337 1 18 . 1 1 41 41 LYS H H 38 7.880 7.880 7.276 0.604 18318 7338 1 18 . 1 1 42 42 MET N N 39 117.600 117.600 119.717 -2.117 18318 7339 1 18 . 1 1 42 42 MET HA H 39 4.120 4.120 4.027 0.093 18318 7340 1 18 . 1 1 42 42 MET C C 39 178.900 178.900 178.124 0.776 18318 7341 1 18 . 1 1 42 42 MET CA C 39 57.200 57.200 59.262 -2.062 18318 7342 1 18 . 1 1 42 42 MET CB C 39 30.000 30.000 32.495 -2.495 18318 7343 1 18 . 1 1 42 42 MET H H 39 8.090 8.090 7.573 0.517 18318 7344 1 18 . 1 1 43 43 SER N N 40 115.900 115.900 114.663 1.237 18318 7345 1 18 . 1 1 43 43 SER HA H 40 4.290 4.290 4.063 0.227 18318 7346 1 18 . 1 1 43 43 SER C C 40 177.400 177.400 176.555 0.845 18318 7347 1 18 . 1 1 43 43 SER CA C 40 61.700 61.700 61.749 -0.049 18318 7348 1 18 . 1 1 43 43 SER CB C 40 62.500 62.500 62.832 -0.332 18318 7349 1 18 . 1 1 43 43 SER H H 40 7.600 7.600 7.916 -0.316 18318 7350 1 18 . 1 1 44 44 ILE N N 41 121.900 121.900 120.206 1.694 18318 7351 1 18 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.873 -0.333 18318 7352 1 18 . 1 1 44 44 ILE C C 41 177.500 177.500 177.835 -0.335 18318 7353 1 18 . 1 1 44 44 ILE CA C 41 66.100 66.100 62.196 3.904 18318 7354 1 18 . 1 1 44 44 ILE CB C 41 37.900 37.900 36.609 1.291 18318 7355 1 18 . 1 1 44 44 ILE H H 41 7.540 7.540 7.442 0.098 18318 7356 1 18 . 1 1 45 45 ALA N N 42 122.600 122.600 121.022 1.578 18318 7357 1 18 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.417 -0.237 18318 7358 1 18 . 1 1 45 45 ALA C C 42 180.200 180.200 179.315 0.885 18318 7359 1 18 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.062 0.738 18318 7360 1 18 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.439 -1.139 18318 7361 1 18 . 1 1 45 45 ALA H H 42 7.420 7.420 7.852 -0.432 18318 7362 1 18 . 1 1 46 46 GLN N N 43 118.400 118.400 118.428 -0.028 18318 7363 1 18 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.104 -0.134 18318 7364 1 18 . 1 1 46 46 GLN C C 43 178.500 178.500 178.571 -0.071 18318 7365 1 18 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.650 0.050 18318 7366 1 18 . 1 1 46 46 GLN CB C 43 27.800 27.800 29.037 -1.237 18318 7367 1 18 . 1 1 46 46 GLN H H 43 8.290 8.290 7.691 0.599 18318 7368 1 18 . 1 1 47 47 CYS N N 44 119.500 119.500 115.943 3.557 18318 7369 1 18 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.319 -0.229 18318 7370 1 18 . 1 1 47 47 CYS C C 44 176.500 176.500 176.827 -0.327 18318 7371 1 18 . 1 1 47 47 CYS CA C 44 60.300 60.300 60.750 -0.450 18318 7372 1 18 . 1 1 47 47 CYS CB C 44 39.900 39.900 25.783 14.117 18318 7373 1 18 . 1 1 47 47 CYS H H 44 7.590 7.590 7.733 -0.143 18318 7374 1 18 . 1 1 48 48 THR N N 45 113.000 113.000 116.342 -3.342 18318 7375 1 18 . 1 1 48 48 THR C C 45 175.900 175.900 176.279 -0.379 18318 7376 1 18 . 1 1 48 48 THR CA C 45 65.400 65.400 64.153 1.247 18318 7377 1 18 . 1 1 48 48 THR CB C 45 68.800 68.800 67.854 0.946 18318 7378 1 18 . 1 1 48 48 THR H H 45 8.810 8.810 7.723 1.087 18318 7379 1 18 . 1 1 49 49 SER N N 46 113.200 113.200 116.769 -3.569 18318 7380 1 18 . 1 1 49 49 SER HA H 46 4.380 4.380 4.201 0.179 18318 7381 1 18 . 1 1 49 49 SER C C 46 175.600 175.600 175.164 0.436 18318 7382 1 18 . 1 1 49 49 SER CA C 46 60.000 60.000 60.067 -0.067 18318 7383 1 18 . 1 1 49 49 SER CB C 46 63.900 63.900 62.972 0.928 18318 7384 1 18 . 1 1 49 49 SER H H 46 7.890 7.890 7.906 -0.016 18318 7385 1 18 . 1 1 50 50 SER N N 47 114.100 114.100 114.640 -0.540 18318 7386 1 18 . 1 1 50 50 SER HA H 47 4.390 4.390 4.293 0.097 18318 7387 1 18 . 1 1 50 50 SER CA C 47 59.100 59.100 60.346 -1.246 18318 7388 1 18 . 1 1 50 50 SER CB C 47 64.800 64.800 63.398 1.402 18318 7389 1 18 . 1 1 50 50 SER H H 47 7.770 7.770 7.718 0.052 18318 7390 1 18 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.180 0.410 18318 7391 1 18 . 1 1 55 55 ARG C C 52 178.500 178.500 178.133 0.367 18318 7392 1 18 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.166 1.834 18318 7393 1 18 . 1 1 56 56 GLN N N 53 117.700 117.700 119.703 -2.003 18318 7394 1 18 . 1 1 56 56 GLN C C 53 175.000 175.000 178.423 -3.423 18318 7395 1 18 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.588 0.612 18318 7396 1 18 . 1 1 56 56 GLN H H 53 8.110 8.110 8.525 -0.415 18318 7397 1 18 . 1 1 57 57 ILE N N 54 121.200 121.200 118.135 3.065 18318 7398 1 18 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.834 -0.514 18318 7399 1 18 . 1 1 57 57 ILE C C 54 178.700 178.700 178.238 0.462 18318 7400 1 18 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.026 1.974 18318 7401 1 18 . 1 1 57 57 ILE CB C 54 37.700 37.700 36.324 1.377 18318 7402 1 18 . 1 1 57 57 ILE H H 54 7.820 7.820 8.206 -0.386 18318 7403 1 18 . 1 1 58 58 ARG N N 55 118.900 118.900 118.644 0.256 18318 7404 1 18 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.160 0.150 18318 7405 1 18 . 1 1 58 58 ARG C C 55 178.600 178.600 178.491 0.109 18318 7406 1 18 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.370 1.530 18318 7407 1 18 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.651 1.849 18318 7408 1 18 . 1 1 58 58 ARG H H 55 8.250 8.250 7.631 0.619 18318 7409 1 18 . 1 1 59 59 GLN N N 56 115.800 115.800 118.461 -2.661 18318 7410 1 18 . 1 1 59 59 GLN C C 56 178.100 178.100 176.217 1.883 18318 7411 1 18 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.236 -0.236 18318 7412 1 18 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.658 0.142 18318 7413 1 18 . 1 1 59 59 GLN H H 56 7.920 7.920 7.807 0.113 18318 7414 1 18 . 1 1 60 60 ALA N N 57 121.600 121.600 119.975 1.625 18318 7415 1 18 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.514 -0.334 18318 7416 1 18 . 1 1 60 60 ALA C C 57 179.600 179.600 177.434 2.166 18318 7417 1 18 . 1 1 60 60 ALA CA C 57 54.500 54.500 51.245 3.255 18318 7418 1 18 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.199 -0.299 18318 7419 1 18 . 1 1 60 60 ALA H H 57 8.490 8.490 7.449 1.041 18318 7420 1 18 . 1 1 61 61 CYS N N 58 114.000 114.000 118.697 -4.697 18318 7421 1 18 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.321 0.809 18318 7422 1 18 . 1 1 61 61 CYS C C 58 175.000 175.000 176.099 -1.099 18318 7423 1 18 . 1 1 61 61 CYS CA C 58 52.700 52.700 58.256 -5.556 18318 7424 1 18 . 1 1 61 61 CYS CB C 58 39.800 39.800 26.300 13.500 18318 7425 1 18 . 1 1 61 61 CYS H H 58 8.370 8.370 7.708 0.662 18318 7426 1 18 . 1 1 62 62 ALA N N 59 124.900 124.900 127.595 -2.695 18318 7427 1 18 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.224 0.046 18318 7428 1 18 . 1 1 62 62 ALA C C 59 179.200 179.200 178.737 0.463 18318 7429 1 18 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.914 2.586 18318 7430 1 18 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.585 -0.785 18318 7431 1 18 . 1 1 62 62 ALA H H 59 7.200 7.200 8.444 -1.244 18318 7432 1 18 . 1 1 63 63 GLN N N 60 115.800 115.800 119.223 -3.423 18318 7433 1 18 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.129 0.351 18318 7434 1 18 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.636 0.564 18318 7435 1 18 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.813 -2.113 18318 7436 1 18 . 1 1 63 63 GLN H H 60 9.040 9.040 8.679 0.361 18318 7437 1 18 . 1 1 64 64 PRO C C 61 179.700 179.700 178.270 1.430 18318 7438 1 18 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.088 0.512 18318 7439 1 18 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.127 -0.327 18318 7440 1 18 . 1 1 65 65 PHE N N 62 120.500 120.500 119.505 0.995 18318 7441 1 18 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.403 -0.123 18318 7442 1 18 . 1 1 65 65 PHE C C 62 176.400 176.400 177.232 -0.832 18318 7443 1 18 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.425 1.975 18318 7444 1 18 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.644 -1.044 18318 7445 1 18 . 1 1 65 65 PHE H H 62 8.500 8.500 7.310 1.190 18318 7446 1 18 . 1 1 66 66 GLU N N 63 120.200 120.200 120.263 -0.063 18318 7447 1 18 . 1 1 66 66 GLU HA H 63 4.030 4.030 4.172 -0.142 18318 7448 1 18 . 1 1 66 66 GLU C C 63 179.300 179.300 178.721 0.579 18318 7449 1 18 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.453 -0.253 18318 7450 1 18 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.804 -1.304 18318 7451 1 18 . 1 1 66 66 GLU H H 63 8.900 8.900 8.450 0.450 18318 7452 1 18 . 1 1 67 67 ALA N N 64 120.600 120.600 120.895 -0.295 18318 7453 1 18 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.084 -0.214 18318 7454 1 18 . 1 1 67 67 ALA C C 64 180.500 180.500 178.382 2.118 18318 7455 1 18 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.870 -0.170 18318 7456 1 18 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.477 -0.377 18318 7457 1 18 . 1 1 67 67 ALA H H 64 8.150 8.150 7.701 0.449 18318 7458 1 18 . 1 1 68 68 PHE N N 65 120.000 120.000 118.019 1.981 18318 7459 1 18 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.414 -0.094 18318 7460 1 18 . 1 1 68 68 PHE C C 65 175.400 175.400 176.398 -0.998 18318 7461 1 18 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.572 0.228 18318 7462 1 18 . 1 1 68 68 PHE CB C 65 38.000 38.000 39.878 -1.878 18318 7463 1 18 . 1 1 68 68 PHE H H 65 7.810 7.810 7.581 0.229 18318 7464 1 18 . 1 1 69 69 GLU N N 66 119.400 119.400 119.757 -0.357 18318 7465 1 18 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.487 0.683 18318 7466 1 18 . 1 1 69 69 GLU C C 66 178.800 178.800 178.835 -0.035 18318 7467 1 18 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.838 1.362 18318 7468 1 18 . 1 1 69 69 GLU CB C 66 29.100 29.100 28.879 0.221 18318 7469 1 18 . 1 1 69 69 GLU H H 66 8.330 8.330 8.070 0.260 18318 7470 1 18 . 1 1 70 70 GLU N N 67 118.600 118.600 119.897 -1.297 18318 7471 1 18 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.097 -0.127 18318 7472 1 18 . 1 1 70 70 GLU C C 67 177.700 177.700 178.461 -0.761 18318 7473 1 18 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.257 -0.457 18318 7474 1 18 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.752 -1.052 18318 7475 1 18 . 1 1 70 70 GLU H H 67 8.240 8.240 8.012 0.228 18318 7476 1 18 . 1 1 71 71 CYS N N 68 119.100 119.100 118.869 0.231 18318 7477 1 18 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.236 -0.156 18318 7478 1 18 . 1 1 71 71 CYS C C 68 177.900 177.900 177.173 0.727 18318 7479 1 18 . 1 1 71 71 CYS CA C 68 60.600 60.600 62.181 -1.581 18318 7480 1 18 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.599 12.401 18318 7481 1 18 . 1 1 71 71 CYS H H 68 7.580 7.580 7.655 -0.075 18318 7482 1 18 . 1 1 72 72 LEU N N 69 122.000 122.000 117.956 4.044 18318 7483 1 18 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.121 -0.421 18318 7484 1 18 . 1 1 72 72 LEU C C 69 179.300 179.300 179.192 0.108 18318 7485 1 18 . 1 1 72 72 LEU CA C 69 57.600 57.600 56.714 0.886 18318 7486 1 18 . 1 1 72 72 LEU CB C 69 41.000 41.000 40.896 0.104 18318 7487 1 18 . 1 1 72 72 LEU H H 69 8.090 8.090 7.391 0.699 18318 7488 1 18 . 1 1 73 73 ARG N N 70 117.400 117.400 118.295 -0.895 18318 7489 1 18 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.928 0.082 18318 7490 1 18 . 1 1 73 73 ARG C C 70 178.500 178.500 178.006 0.494 18318 7491 1 18 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.988 -0.288 18318 7492 1 18 . 1 1 73 73 ARG CB C 70 30.100 30.100 30.021 0.079 18318 7493 1 18 . 1 1 73 73 ARG H H 70 7.600 7.600 7.569 0.031 18318 7494 1 18 . 1 1 74 74 GLN N N 71 115.800 115.800 115.043 0.757 18318 7495 1 18 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.391 -0.101 18318 7496 1 18 . 1 1 74 74 GLN C C 71 176.200 176.200 175.571 0.629 18318 7497 1 18 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.273 0.127 18318 7498 1 18 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.320 -1.120 18318 7499 1 18 . 1 1 74 74 GLN H H 71 7.580 7.580 7.801 -0.221 18318 7500 1 18 . 1 1 75 75 ASN N N 72 118.600 118.600 117.819 0.781 18318 7501 1 18 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.889 0.101 18318 7502 1 18 . 1 1 75 75 ASN C C 72 174.800 174.800 175.121 -0.321 18318 7503 1 18 . 1 1 75 75 ASN CA C 72 53.000 53.000 53.214 -0.214 18318 7504 1 18 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.947 0.853 18318 7505 1 18 . 1 1 75 75 ASN H H 72 7.750 7.750 7.721 0.029 18318 7506 1 18 . 1 1 76 76 GLU N N 73 120.200 120.200 122.833 -2.633 18318 7507 1 18 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.957 0.003 18318 7508 1 18 . 1 1 76 76 GLU C C 73 176.800 176.800 176.539 0.261 18318 7509 1 18 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.206 -0.006 18318 7510 1 18 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.820 -0.720 18318 7511 1 18 . 1 1 76 76 GLU H H 73 7.950 7.950 8.225 -0.275 18318 7512 1 18 . 1 1 77 77 ALA N N 74 119.200 119.200 120.749 -1.549 18318 7513 1 18 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.487 -0.127 18318 7514 1 18 . 1 1 77 77 ALA C C 74 175.400 175.400 177.298 -1.898 18318 7515 1 18 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.855 -0.755 18318 7516 1 18 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.592 -0.392 18318 7517 1 18 . 1 1 77 77 ALA H H 74 8.320 8.320 8.134 0.186 18318 7518 1 18 . 1 1 78 78 ALA N N 75 124.400 124.400 120.761 3.639 18318 7519 1 18 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.558 -0.178 18318 7520 1 18 . 1 1 78 78 ALA C C 75 177.200 177.200 178.353 -1.153 18318 7521 1 18 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.813 -0.413 18318 7522 1 18 . 1 1 78 78 ALA CB C 75 18.000 18.000 18.015 -0.015 18318 7523 1 18 . 1 1 78 78 ALA H H 75 7.900 7.900 7.904 -0.004 18318 7524 1 18 . 1 1 79 79 VAL N N 76 118.400 118.400 118.190 0.210 18318 7525 1 18 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.805 -0.015 18318 7526 1 18 . 1 1 79 79 VAL CA C 76 65.100 65.100 63.071 2.029 18318 7527 1 18 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.902 0.398 18318 7528 1 18 . 1 1 79 79 VAL H H 76 8.100 8.100 7.964 0.136 18318 7529 1 18 . 1 1 80 80 GLY C C 77 175.900 175.900 175.483 0.417 18318 7530 1 18 . 1 1 80 80 GLY CA C 77 46.400 46.400 47.024 -0.624 18318 7531 1 18 . 1 1 81 81 ASN N N 78 119.300 119.300 117.000 2.300 18318 7532 1 18 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.881 -0.281 18318 7533 1 18 . 1 1 81 81 ASN C C 78 176.700 176.700 174.861 1.839 18318 7534 1 18 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.049 1.451 18318 7535 1 18 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.238 -2.938 18318 7536 1 18 . 1 1 81 81 ASN H H 78 8.200 8.200 7.865 0.335 18318 7537 1 18 . 1 1 82 82 CYS N N 79 117.200 117.200 117.659 -0.459 18318 7538 1 18 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.641 0.759 18318 7539 1 18 . 1 1 82 82 CYS C C 79 175.800 175.800 173.471 2.329 18318 7540 1 18 . 1 1 82 82 CYS CA C 79 53.500 53.500 57.712 -4.212 18318 7541 1 18 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.012 10.288 18318 7542 1 18 . 1 1 82 82 CYS H H 79 8.330 8.330 7.530 0.800 18318 7543 1 18 . 1 1 83 83 ALA N N 80 125.000 125.000 123.548 1.452 18318 7544 1 18 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.681 -0.531 18318 7545 1 18 . 1 1 83 83 ALA C C 80 179.900 179.900 176.811 3.089 18318 7546 1 18 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.354 4.846 18318 7547 1 18 . 1 1 83 83 ALA CB C 80 18.200 18.200 21.110 -2.910 18318 7548 1 18 . 1 1 83 83 ALA H H 80 7.700 7.700 8.202 -0.502 18318 7549 1 18 . 1 1 84 84 GLU N N 81 118.900 118.900 124.947 -6.047 18318 7550 1 18 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.557 -0.607 18318 7551 1 18 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.492 0.508 18318 7552 1 18 . 1 1 84 84 GLU CB C 81 28.900 28.900 30.078 -1.178 18318 7553 1 18 . 1 1 84 84 GLU H H 81 8.920 8.920 8.788 0.132 18318 7554 1 18 . 1 1 85 85 HIS C C 82 178.500 178.500 177.304 1.196 18318 7555 1 18 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.123 -2.022 18318 7556 1 18 . 1 1 86 86 MET N N 83 118.800 118.800 119.077 -0.277 18318 7557 1 18 . 1 1 86 86 MET C C 83 177.200 177.200 178.114 -0.914 18318 7558 1 18 . 1 1 86 86 MET CA C 83 58.900 58.900 56.711 2.189 18318 7559 1 18 . 1 1 86 86 MET CB C 83 31.300 31.300 32.071 -0.771 18318 7560 1 18 . 1 1 86 86 MET H H 83 7.460 7.460 8.295 -0.835 18318 7561 1 18 . 1 1 87 87 ARG N N 84 119.500 119.500 120.660 -1.160 18318 7562 1 18 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.148 -0.238 18318 7563 1 18 . 1 1 87 87 ARG C C 84 178.600 178.600 178.190 0.410 18318 7564 1 18 . 1 1 87 87 ARG CA C 84 59.900 59.900 60.013 -0.113 18318 7565 1 18 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.978 -0.478 18318 7566 1 18 . 1 1 87 87 ARG H H 84 8.220 8.220 8.494 -0.274 18318 7567 1 18 . 1 1 88 88 ARG N N 85 117.900 117.900 117.732 0.168 18318 7568 1 18 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.137 -0.217 18318 7569 1 18 . 1 1 88 88 ARG C C 85 179.700 179.700 178.782 0.918 18318 7570 1 18 . 1 1 88 88 ARG CA C 85 59.500 59.500 58.937 0.563 18318 7571 1 18 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.637 0.363 18318 7572 1 18 . 1 1 88 88 ARG H H 85 8.100 8.100 7.461 0.639 18318 7573 1 18 . 1 1 89 89 PHE N N 86 119.700 119.700 120.007 -0.307 18318 7574 1 18 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.205 0.145 18318 7575 1 18 . 1 1 89 89 PHE C C 86 175.600 175.600 176.721 -1.121 18318 7576 1 18 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.705 0.395 18318 7577 1 18 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.230 -1.430 18318 7578 1 18 . 1 1 89 89 PHE H H 86 7.930 7.930 7.392 0.538 18318 7579 1 18 . 1 1 90 90 LEU N N 87 120.400 120.400 120.030 0.370 18318 7580 1 18 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.929 -0.219 18318 7581 1 18 . 1 1 90 90 LEU C C 87 179.200 179.200 178.599 0.601 18318 7582 1 18 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.063 -0.363 18318 7583 1 18 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.975 -1.675 18318 7584 1 18 . 1 1 90 90 LEU H H 87 8.640 8.640 7.893 0.747 18318 7585 1 18 . 1 1 91 91 GLN N N 88 118.200 118.200 117.913 0.287 18318 7586 1 18 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.008 0.032 18318 7587 1 18 . 1 1 91 91 GLN C C 88 178.000 178.000 178.446 -0.446 18318 7588 1 18 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.024 -0.324 18318 7589 1 18 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.146 -0.146 18318 7590 1 18 . 1 1 91 91 GLN H H 88 8.380 8.380 8.646 -0.266 18318 7591 1 18 . 1 1 92 92 CYS N N 89 119.000 119.000 117.935 1.065 18318 7592 1 18 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.236 -0.186 18318 7593 1 18 . 1 1 92 92 CYS C C 89 176.600 176.600 176.636 -0.036 18318 7594 1 18 . 1 1 92 92 CYS CA C 89 60.100 60.100 60.855 -0.756 18318 7595 1 18 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.689 13.811 18318 7596 1 18 . 1 1 92 92 CYS H H 89 7.390 7.390 7.706 -0.316 18318 7597 1 18 . 1 1 93 93 ALA N N 90 122.900 122.900 123.640 -0.740 18318 7598 1 18 . 1 1 93 93 ALA HA H 90 3.910 3.910 3.966 -0.056 18318 7599 1 18 . 1 1 93 93 ALA C C 90 179.200 179.200 178.824 0.376 18318 7600 1 18 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.484 0.216 18318 7601 1 18 . 1 1 93 93 ALA CB C 90 17.800 17.800 17.938 -0.138 18318 7602 1 18 . 1 1 93 93 ALA H H 90 8.410 8.410 7.504 0.906 18318 7603 1 18 . 1 1 94 94 GLU N N 91 115.800 115.800 117.823 -2.023 18318 7604 1 18 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.085 0.065 18318 7605 1 18 . 1 1 94 94 GLU C C 91 177.400 177.400 178.563 -1.163 18318 7606 1 18 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.074 -0.174 18318 7607 1 18 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.919 -0.519 18318 7608 1 18 . 1 1 94 94 GLU H H 91 7.880 7.880 7.773 0.107 18318 7609 1 18 . 1 1 95 95 GLN N N 92 115.500 115.500 118.400 -2.900 18318 7610 1 18 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.131 0.159 18318 7611 1 18 . 1 1 95 95 GLN C C 92 176.600 176.600 176.532 0.068 18318 7612 1 18 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.492 -1.192 18318 7613 1 18 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.151 -0.251 18318 7614 1 18 . 1 1 95 95 GLN H H 92 7.450 7.450 7.797 -0.347 18318 7615 1 19 . 1 1 15 15 CYS N N 12 117.500 117.500 119.002 -1.502 18318 7616 1 19 . 1 1 15 15 CYS C C 12 175.500 175.500 175.529 -0.029 18318 7617 1 19 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.019 -4.319 18318 7618 1 19 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.948 6.753 18318 7619 1 19 . 1 1 15 15 CYS H H 12 8.280 8.280 9.191 -0.911 18318 7620 1 19 . 1 1 16 16 GLY N N 13 108.700 108.700 108.596 0.104 18318 7621 1 19 . 1 1 16 16 GLY C C 13 176.600 176.600 174.936 1.664 18318 7622 1 19 . 1 1 16 16 GLY CA C 13 47.900 47.900 44.681 3.219 18318 7623 1 19 . 1 1 16 16 GLY H H 13 8.080 8.080 8.853 -0.773 18318 7624 1 19 . 1 1 17 17 ARG N N 14 123.300 123.300 118.984 4.316 18318 7625 1 19 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.227 -0.267 18318 7626 1 19 . 1 1 17 17 ARG C C 14 179.300 179.300 177.443 1.857 18318 7627 1 19 . 1 1 17 17 ARG CA C 14 59.200 59.200 55.882 3.318 18318 7628 1 19 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.828 0.272 18318 7629 1 19 . 1 1 17 17 ARG H H 14 8.630 8.630 8.200 0.430 18318 7630 1 19 . 1 1 18 18 GLU N N 15 121.900 121.900 120.690 1.210 18318 7631 1 19 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.097 0.073 18318 7632 1 19 . 1 1 18 18 GLU C C 15 177.900 177.900 177.382 0.518 18318 7633 1 19 . 1 1 18 18 GLU CA C 15 61.100 61.100 59.729 1.371 18318 7634 1 19 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.314 -1.114 18318 7635 1 19 . 1 1 18 18 GLU H H 15 9.670 9.670 8.186 1.484 18318 7636 1 19 . 1 1 19 19 LEU N N 16 119.400 119.400 119.121 0.279 18318 7637 1 19 . 1 1 19 19 LEU CA C 16 59.900 59.900 56.678 3.222 18318 7638 1 19 . 1 1 19 19 LEU H H 16 8.090 8.090 7.925 0.165 18318 7639 1 19 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.066 -0.386 18318 7640 1 19 . 1 1 20 20 GLU C C 17 177.200 177.200 178.851 -1.651 18318 7641 1 19 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.393 -0.093 18318 7642 1 19 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.718 -0.718 18318 7643 1 19 . 1 1 21 21 GLN N N 18 118.500 118.500 119.256 -0.756 18318 7644 1 19 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.222 -0.182 18318 7645 1 19 . 1 1 21 21 GLN C C 18 177.200 177.200 178.051 -0.851 18318 7646 1 19 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.651 0.349 18318 7647 1 19 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.250 -0.550 18318 7648 1 19 . 1 1 21 21 GLN H H 18 8.560 8.560 7.776 0.784 18318 7649 1 19 . 1 1 22 22 TYR N N 19 120.700 120.700 120.304 0.396 18318 7650 1 19 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.211 0.069 18318 7651 1 19 . 1 1 22 22 TYR C C 19 176.600 176.600 177.805 -1.205 18318 7652 1 19 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.002 2.098 18318 7653 1 19 . 1 1 22 22 TYR CB C 19 38.900 38.900 37.872 1.028 18318 7654 1 19 . 1 1 22 22 TYR H H 19 8.120 8.120 8.144 -0.024 18318 7655 1 19 . 1 1 23 23 GLY N N 20 105.600 105.600 106.777 -1.177 18318 7656 1 19 . 1 1 23 23 GLY C C 20 176.700 176.700 176.271 0.429 18318 7657 1 19 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.156 -0.056 18318 7658 1 19 . 1 1 23 23 GLY H H 20 8.390 8.390 7.957 0.433 18318 7659 1 19 . 1 1 24 24 GLN N N 21 120.300 120.300 121.396 -1.096 18318 7660 1 19 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.146 -0.096 18318 7661 1 19 . 1 1 24 24 GLN C C 21 178.000 178.000 178.458 -0.458 18318 7662 1 19 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.896 -0.296 18318 7663 1 19 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.575 -0.975 18318 7664 1 19 . 1 1 24 24 GLN H H 21 8.130 8.130 7.930 0.200 18318 7665 1 19 . 1 1 25 25 CYS N N 22 121.500 121.500 118.650 2.850 18318 7666 1 19 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.356 -0.076 18318 7667 1 19 . 1 1 25 25 CYS C C 22 175.400 175.400 177.567 -2.167 18318 7668 1 19 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.779 -2.179 18318 7669 1 19 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.587 13.313 18318 7670 1 19 . 1 1 25 25 CYS H H 22 7.610 7.610 7.837 -0.227 18318 7671 1 19 . 1 1 26 26 VAL N N 23 119.900 119.900 121.132 -1.232 18318 7672 1 19 . 1 1 26 26 VAL HA H 23 3.790 3.790 3.799 -0.009 18318 7673 1 19 . 1 1 26 26 VAL C C 23 177.100 177.100 177.767 -0.667 18318 7674 1 19 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.314 0.586 18318 7675 1 19 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.263 -1.963 18318 7676 1 19 . 1 1 26 26 VAL H H 23 8.040 8.040 7.971 0.069 18318 7677 1 19 . 1 1 27 27 ALA N N 24 117.400 117.400 120.196 -2.796 18318 7678 1 19 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.014 0.086 18318 7679 1 19 . 1 1 27 27 ALA C C 24 178.600 178.600 178.161 0.439 18318 7680 1 19 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.498 -0.398 18318 7681 1 19 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.656 -0.756 18318 7682 1 19 . 1 1 27 27 ALA H H 24 7.430 7.430 7.879 -0.449 18318 7683 1 19 . 1 1 28 28 ALA N N 25 116.100 116.100 119.792 -3.692 18318 7684 1 19 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.305 0.025 18318 7685 1 19 . 1 1 28 28 ALA C C 25 178.100 178.100 177.687 0.413 18318 7686 1 19 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.077 -0.477 18318 7687 1 19 . 1 1 28 28 ALA CB C 25 19.100 19.100 20.407 -1.307 18318 7688 1 19 . 1 1 28 28 ALA H H 25 7.120 7.120 7.531 -0.411 18318 7689 1 19 . 1 1 29 29 LYS N N 26 119.200 119.200 115.013 4.187 18318 7690 1 19 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.364 5.336 18318 7691 1 19 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.814 -2.714 18318 7692 1 19 . 1 1 29 29 LYS H H 26 7.560 7.560 7.920 -0.360 18318 7693 1 19 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.264 -0.054 18318 7694 1 19 . 1 1 30 30 PRO C C 27 177.000 177.000 178.074 -1.074 18318 7695 1 19 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.499 0.401 18318 7696 1 19 . 1 1 30 30 PRO CB C 27 31.600 31.600 31.895 -0.295 18318 7697 1 19 . 1 1 31 31 GLU N N 28 114.600 114.600 117.966 -3.366 18318 7698 1 19 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.385 0.065 18318 7699 1 19 . 1 1 31 31 GLU C C 28 176.100 176.100 178.321 -2.221 18318 7700 1 19 . 1 1 31 31 GLU CA C 28 57.200 57.200 57.346 -0.146 18318 7701 1 19 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.350 1.250 18318 7702 1 19 . 1 1 31 31 GLU H H 28 8.770 8.770 8.900 -0.130 18318 7703 1 19 . 1 1 32 32 SER N N 29 111.000 111.000 116.249 -5.249 18318 7704 1 19 . 1 1 32 32 SER HA H 29 4.510 4.510 4.297 0.213 18318 7705 1 19 . 1 1 32 32 SER C C 29 176.600 176.600 175.874 0.726 18318 7706 1 19 . 1 1 32 32 SER CA C 29 58.500 58.500 60.751 -2.251 18318 7707 1 19 . 1 1 32 32 SER CB C 29 63.800 63.800 62.682 1.118 18318 7708 1 19 . 1 1 32 32 SER H H 29 7.750 7.750 8.377 -0.627 18318 7709 1 19 . 1 1 33 33 TRP N N 30 125.000 125.000 123.073 1.927 18318 7710 1 19 . 1 1 33 33 TRP C C 30 177.200 177.200 177.147 0.053 18318 7711 1 19 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.494 -0.494 18318 7712 1 19 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.997 0.503 18318 7713 1 19 . 1 1 33 33 TRP H H 30 7.820 7.820 7.643 0.177 18318 7714 1 19 . 1 1 34 34 GLN N N 31 123.600 123.600 116.225 7.375 18318 7715 1 19 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.958 0.492 18318 7716 1 19 . 1 1 34 34 GLN C C 31 176.800 176.800 178.220 -1.420 18318 7717 1 19 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.630 2.270 18318 7718 1 19 . 1 1 34 34 GLN CB C 31 26.500 26.500 29.245 -2.745 18318 7719 1 19 . 1 1 34 34 GLN H H 31 8.240 8.240 7.543 0.697 18318 7720 1 19 . 1 1 35 35 ARG N N 32 115.900 115.900 119.068 -3.168 18318 7721 1 19 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.122 0.158 18318 7722 1 19 . 1 1 35 35 ARG C C 32 178.900 178.900 178.959 -0.059 18318 7723 1 19 . 1 1 35 35 ARG CA C 32 57.400 57.400 59.675 -2.275 18318 7724 1 19 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.123 1.177 18318 7725 1 19 . 1 1 35 35 ARG H H 32 7.450 7.450 7.815 -0.365 18318 7726 1 19 . 1 1 36 36 ASP N N 33 117.700 117.700 119.972 -2.272 18318 7727 1 19 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.595 -0.455 18318 7728 1 19 . 1 1 36 36 ASP C C 33 177.600 177.600 177.331 0.269 18318 7729 1 19 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.858 0.342 18318 7730 1 19 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.705 -0.805 18318 7731 1 19 . 1 1 36 36 ASP H H 33 8.760 8.760 8.051 0.709 18318 7732 1 19 . 1 1 37 37 CYS N N 34 113.300 113.300 118.761 -5.461 18318 7733 1 19 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.727 0.673 18318 7734 1 19 . 1 1 37 37 CYS C C 34 175.800 175.800 175.470 0.330 18318 7735 1 19 . 1 1 37 37 CYS CA C 34 53.100 53.100 58.573 -5.473 18318 7736 1 19 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.183 14.317 18318 7737 1 19 . 1 1 37 37 CYS H H 34 8.260 8.260 8.067 0.193 18318 7738 1 19 . 1 1 38 38 HIS N N 35 124.200 124.200 125.432 -1.232 18318 7739 1 19 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.566 -0.216 18318 7740 1 19 . 1 1 38 38 HIS C C 35 177.400 177.400 176.427 0.973 18318 7741 1 19 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.606 1.394 18318 7742 1 19 . 1 1 38 38 HIS CB C 35 30.600 30.600 31.036 -0.436 18318 7743 1 19 . 1 1 38 38 HIS H H 35 7.520 7.520 8.051 -0.531 18318 7744 1 19 . 1 1 39 39 TYR N N 36 117.100 117.100 118.747 -1.647 18318 7745 1 19 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.416 -0.116 18318 7746 1 19 . 1 1 39 39 TYR C C 36 177.700 177.700 176.796 0.904 18318 7747 1 19 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.215 0.385 18318 7748 1 19 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.333 -2.133 18318 7749 1 19 . 1 1 39 39 TYR H H 36 8.930 8.930 8.700 0.230 18318 7750 1 19 . 1 1 40 40 LEU N N 37 122.000 122.000 117.924 4.076 18318 7751 1 19 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.132 0.038 18318 7752 1 19 . 1 1 40 40 LEU C C 37 179.400 179.400 178.493 0.907 18318 7753 1 19 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.192 -0.692 18318 7754 1 19 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.562 0.838 18318 7755 1 19 . 1 1 40 40 LEU H H 37 6.940 6.940 8.169 -1.229 18318 7756 1 19 . 1 1 41 41 LYS N N 38 125.300 125.300 118.625 6.675 18318 7757 1 19 . 1 1 41 41 LYS C C 38 179.600 179.600 178.557 1.043 18318 7758 1 19 . 1 1 41 41 LYS CA C 38 59.600 59.600 58.895 0.705 18318 7759 1 19 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.221 -0.221 18318 7760 1 19 . 1 1 41 41 LYS H H 38 7.880 7.880 7.444 0.436 18318 7761 1 19 . 1 1 42 42 MET N N 39 117.600 117.600 117.553 0.047 18318 7762 1 19 . 1 1 42 42 MET HA H 39 4.120 4.120 4.209 -0.089 18318 7763 1 19 . 1 1 42 42 MET C C 39 178.900 178.900 177.358 1.542 18318 7764 1 19 . 1 1 42 42 MET CA C 39 57.200 57.200 57.819 -0.619 18318 7765 1 19 . 1 1 42 42 MET CB C 39 30.000 30.000 32.572 -2.572 18318 7766 1 19 . 1 1 42 42 MET H H 39 8.090 8.090 7.541 0.549 18318 7767 1 19 . 1 1 43 43 SER N N 40 115.900 115.900 115.177 0.723 18318 7768 1 19 . 1 1 43 43 SER HA H 40 4.290 4.290 4.229 0.061 18318 7769 1 19 . 1 1 43 43 SER C C 40 177.400 177.400 176.537 0.863 18318 7770 1 19 . 1 1 43 43 SER CA C 40 61.700 61.700 60.465 1.235 18318 7771 1 19 . 1 1 43 43 SER CB C 40 62.500 62.500 63.305 -0.805 18318 7772 1 19 . 1 1 43 43 SER H H 40 7.600 7.600 7.793 -0.193 18318 7773 1 19 . 1 1 44 44 ILE N N 41 121.900 121.900 123.941 -2.041 18318 7774 1 19 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.788 -0.248 18318 7775 1 19 . 1 1 44 44 ILE C C 41 177.500 177.500 177.651 -0.151 18318 7776 1 19 . 1 1 44 44 ILE CA C 41 66.100 66.100 62.178 3.921 18318 7777 1 19 . 1 1 44 44 ILE CB C 41 37.900 37.900 36.289 1.611 18318 7778 1 19 . 1 1 44 44 ILE H H 41 7.540 7.540 7.380 0.160 18318 7779 1 19 . 1 1 45 45 ALA N N 42 122.600 122.600 120.122 2.478 18318 7780 1 19 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.941 0.239 18318 7781 1 19 . 1 1 45 45 ALA C C 42 180.200 180.200 180.083 0.117 18318 7782 1 19 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.903 -0.103 18318 7783 1 19 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.159 -0.859 18318 7784 1 19 . 1 1 45 45 ALA H H 42 7.420 7.420 7.661 -0.241 18318 7785 1 19 . 1 1 46 46 GLN N N 43 118.400 118.400 115.974 2.426 18318 7786 1 19 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.126 -0.156 18318 7787 1 19 . 1 1 46 46 GLN C C 43 178.500 178.500 176.758 1.742 18318 7788 1 19 . 1 1 46 46 GLN CA C 43 58.700 58.700 57.463 1.237 18318 7789 1 19 . 1 1 46 46 GLN CB C 43 27.800 27.800 29.013 -1.213 18318 7790 1 19 . 1 1 46 46 GLN H H 43 8.290 8.290 7.906 0.384 18318 7791 1 19 . 1 1 47 47 CYS N N 44 119.500 119.500 118.496 1.004 18318 7792 1 19 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.155 -0.065 18318 7793 1 19 . 1 1 47 47 CYS C C 44 176.500 176.500 176.952 -0.452 18318 7794 1 19 . 1 1 47 47 CYS CA C 44 60.300 60.300 61.985 -1.685 18318 7795 1 19 . 1 1 47 47 CYS CB C 44 39.900 39.900 27.098 12.803 18318 7796 1 19 . 1 1 47 47 CYS H H 44 7.590 7.590 7.795 -0.205 18318 7797 1 19 . 1 1 48 48 THR N N 45 113.000 113.000 113.796 -0.796 18318 7798 1 19 . 1 1 48 48 THR C C 45 175.900 175.900 175.775 0.125 18318 7799 1 19 . 1 1 48 48 THR CA C 45 65.400 65.400 66.061 -0.661 18318 7800 1 19 . 1 1 48 48 THR CB C 45 68.800 68.800 68.747 0.053 18318 7801 1 19 . 1 1 48 48 THR H H 45 8.810 8.810 7.750 1.060 18318 7802 1 19 . 1 1 49 49 SER N N 46 113.200 113.200 115.292 -2.092 18318 7803 1 19 . 1 1 49 49 SER HA H 46 4.380 4.380 4.319 0.061 18318 7804 1 19 . 1 1 49 49 SER C C 46 175.600 175.600 174.785 0.815 18318 7805 1 19 . 1 1 49 49 SER CA C 46 60.000 60.000 56.687 3.313 18318 7806 1 19 . 1 1 49 49 SER CB C 46 63.900 63.900 62.418 1.482 18318 7807 1 19 . 1 1 49 49 SER H H 46 7.890 7.890 7.343 0.547 18318 7808 1 19 . 1 1 50 50 SER N N 47 114.100 114.100 116.127 -2.027 18318 7809 1 19 . 1 1 50 50 SER HA H 47 4.390 4.390 4.224 0.166 18318 7810 1 19 . 1 1 50 50 SER CA C 47 59.100 59.100 59.927 -0.827 18318 7811 1 19 . 1 1 50 50 SER CB C 47 64.800 64.800 63.307 1.492 18318 7812 1 19 . 1 1 50 50 SER H H 47 7.770 7.770 7.345 0.425 18318 7813 1 19 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.202 0.388 18318 7814 1 19 . 1 1 55 55 ARG C C 52 178.500 178.500 177.864 0.636 18318 7815 1 19 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.139 1.861 18318 7816 1 19 . 1 1 56 56 GLN N N 53 117.700 117.700 119.406 -1.706 18318 7817 1 19 . 1 1 56 56 GLN C C 53 175.000 175.000 177.986 -2.986 18318 7818 1 19 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.081 1.119 18318 7819 1 19 . 1 1 56 56 GLN H H 53 8.110 8.110 8.448 -0.338 18318 7820 1 19 . 1 1 57 57 ILE N N 54 121.200 121.200 113.140 8.060 18318 7821 1 19 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.849 -0.529 18318 7822 1 19 . 1 1 57 57 ILE C C 54 178.700 178.700 176.760 1.940 18318 7823 1 19 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.420 2.580 18318 7824 1 19 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.431 0.269 18318 7825 1 19 . 1 1 57 57 ILE H H 54 7.820 7.820 7.724 0.096 18318 7826 1 19 . 1 1 58 58 ARG N N 55 118.900 118.900 119.114 -0.214 18318 7827 1 19 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.181 0.129 18318 7828 1 19 . 1 1 58 58 ARG C C 55 178.600 178.600 178.924 -0.324 18318 7829 1 19 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.242 1.658 18318 7830 1 19 . 1 1 58 58 ARG CB C 55 31.500 31.500 30.725 0.775 18318 7831 1 19 . 1 1 58 58 ARG H H 55 8.250 8.250 7.709 0.541 18318 7832 1 19 . 1 1 59 59 GLN N N 56 115.800 115.800 117.891 -2.091 18318 7833 1 19 . 1 1 59 59 GLN C C 56 178.100 178.100 176.853 1.247 18318 7834 1 19 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.178 -0.178 18318 7835 1 19 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.866 -0.066 18318 7836 1 19 . 1 1 59 59 GLN H H 56 7.920 7.920 7.826 0.094 18318 7837 1 19 . 1 1 60 60 ALA N N 57 121.600 121.600 118.462 3.138 18318 7838 1 19 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.343 -0.163 18318 7839 1 19 . 1 1 60 60 ALA C C 57 179.600 179.600 176.612 2.988 18318 7840 1 19 . 1 1 60 60 ALA CA C 57 54.500 54.500 51.581 2.919 18318 7841 1 19 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.213 -0.313 18318 7842 1 19 . 1 1 60 60 ALA H H 57 8.490 8.490 7.644 0.846 18318 7843 1 19 . 1 1 61 61 CYS N N 58 114.000 114.000 117.222 -3.222 18318 7844 1 19 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.150 0.980 18318 7845 1 19 . 1 1 61 61 CYS C C 58 175.000 175.000 174.360 0.640 18318 7846 1 19 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.316 -6.616 18318 7847 1 19 . 1 1 61 61 CYS CB C 58 39.800 39.800 24.187 15.613 18318 7848 1 19 . 1 1 61 61 CYS H H 58 8.370 8.370 7.662 0.708 18318 7849 1 19 . 1 1 62 62 ALA N N 59 124.900 124.900 126.957 -2.057 18318 7850 1 19 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.401 -0.131 18318 7851 1 19 . 1 1 62 62 ALA C C 59 179.200 179.200 178.582 0.618 18318 7852 1 19 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.196 3.304 18318 7853 1 19 . 1 1 62 62 ALA CB C 59 18.800 18.800 20.012 -1.212 18318 7854 1 19 . 1 1 62 62 ALA H H 59 7.200 7.200 8.495 -1.295 18318 7855 1 19 . 1 1 63 63 GLN N N 60 115.800 115.800 119.011 -3.211 18318 7856 1 19 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.277 0.203 18318 7857 1 19 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.685 0.515 18318 7858 1 19 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.418 -1.718 18318 7859 1 19 . 1 1 63 63 GLN H H 60 9.040 9.040 8.838 0.202 18318 7860 1 19 . 1 1 64 64 PRO C C 61 179.700 179.700 178.414 1.286 18318 7861 1 19 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.688 -0.088 18318 7862 1 19 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.381 -0.581 18318 7863 1 19 . 1 1 65 65 PHE N N 62 120.500 120.500 117.825 2.675 18318 7864 1 19 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.337 -0.057 18318 7865 1 19 . 1 1 65 65 PHE C C 62 176.400 176.400 177.420 -1.020 18318 7866 1 19 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.927 1.473 18318 7867 1 19 . 1 1 65 65 PHE CB C 62 38.600 38.600 38.944 -0.344 18318 7868 1 19 . 1 1 65 65 PHE H H 62 8.500 8.500 8.273 0.227 18318 7869 1 19 . 1 1 66 66 GLU N N 63 120.200 120.200 119.395 0.805 18318 7870 1 19 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.873 0.157 18318 7871 1 19 . 1 1 66 66 GLU C C 63 179.300 179.300 178.560 0.740 18318 7872 1 19 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.816 -0.617 18318 7873 1 19 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.528 -1.028 18318 7874 1 19 . 1 1 66 66 GLU H H 63 8.900 8.900 8.479 0.421 18318 7875 1 19 . 1 1 67 67 ALA N N 64 120.600 120.600 122.354 -1.754 18318 7876 1 19 . 1 1 67 67 ALA HA H 64 3.870 3.870 4.045 -0.175 18318 7877 1 19 . 1 1 67 67 ALA C C 64 180.500 180.500 179.658 0.842 18318 7878 1 19 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.234 -0.534 18318 7879 1 19 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.146 -0.046 18318 7880 1 19 . 1 1 67 67 ALA H H 64 8.150 8.150 7.531 0.619 18318 7881 1 19 . 1 1 68 68 PHE N N 65 120.000 120.000 119.736 0.264 18318 7882 1 19 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.096 0.224 18318 7883 1 19 . 1 1 68 68 PHE C C 65 175.400 175.400 177.203 -1.803 18318 7884 1 19 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.729 0.071 18318 7885 1 19 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.561 -0.561 18318 7886 1 19 . 1 1 68 68 PHE H H 65 7.810 7.810 7.545 0.265 18318 7887 1 19 . 1 1 69 69 GLU N N 66 119.400 119.400 118.642 0.758 18318 7888 1 19 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.218 0.952 18318 7889 1 19 . 1 1 69 69 GLU C C 66 178.800 178.800 178.757 0.043 18318 7890 1 19 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.075 1.125 18318 7891 1 19 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.150 -0.050 18318 7892 1 19 . 1 1 69 69 GLU H H 66 8.330 8.330 7.868 0.462 18318 7893 1 19 . 1 1 70 70 GLU N N 67 118.600 118.600 118.801 -0.201 18318 7894 1 19 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.090 -0.120 18318 7895 1 19 . 1 1 70 70 GLU C C 67 177.700 177.700 178.320 -0.620 18318 7896 1 19 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.111 -0.311 18318 7897 1 19 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.585 -0.885 18318 7898 1 19 . 1 1 70 70 GLU H H 67 8.240 8.240 7.973 0.267 18318 7899 1 19 . 1 1 71 71 CYS N N 68 119.100 119.100 118.848 0.252 18318 7900 1 19 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.153 -0.073 18318 7901 1 19 . 1 1 71 71 CYS C C 68 177.900 177.900 177.410 0.490 18318 7902 1 19 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.288 -2.688 18318 7903 1 19 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.460 12.540 18318 7904 1 19 . 1 1 71 71 CYS H H 68 7.580 7.580 7.702 -0.122 18318 7905 1 19 . 1 1 72 72 LEU N N 69 122.000 122.000 118.250 3.750 18318 7906 1 19 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.203 -0.503 18318 7907 1 19 . 1 1 72 72 LEU C C 69 179.300 179.300 178.825 0.475 18318 7908 1 19 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.169 0.431 18318 7909 1 19 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.217 -0.217 18318 7910 1 19 . 1 1 72 72 LEU H H 69 8.090 8.090 7.553 0.537 18318 7911 1 19 . 1 1 73 73 ARG N N 70 117.400 117.400 118.940 -1.540 18318 7912 1 19 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.891 0.119 18318 7913 1 19 . 1 1 73 73 ARG C C 70 178.500 178.500 178.244 0.256 18318 7914 1 19 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.605 0.095 18318 7915 1 19 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.794 0.305 18318 7916 1 19 . 1 1 73 73 ARG H H 70 7.600 7.600 7.370 0.230 18318 7917 1 19 . 1 1 74 74 GLN N N 71 115.800 115.800 115.296 0.504 18318 7918 1 19 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.397 -0.107 18318 7919 1 19 . 1 1 74 74 GLN C C 71 176.200 176.200 175.423 0.777 18318 7920 1 19 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.330 0.070 18318 7921 1 19 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.623 -1.423 18318 7922 1 19 . 1 1 74 74 GLN H H 71 7.580 7.580 7.579 0.001 18318 7923 1 19 . 1 1 75 75 ASN N N 72 118.600 118.600 117.864 0.736 18318 7924 1 19 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.908 0.082 18318 7925 1 19 . 1 1 75 75 ASN C C 72 174.800 174.800 175.188 -0.388 18318 7926 1 19 . 1 1 75 75 ASN CA C 72 53.000 53.000 53.116 -0.116 18318 7927 1 19 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.927 0.873 18318 7928 1 19 . 1 1 75 75 ASN H H 72 7.750 7.750 7.648 0.102 18318 7929 1 19 . 1 1 76 76 GLU N N 73 120.200 120.200 121.440 -1.240 18318 7930 1 19 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.982 -0.022 18318 7931 1 19 . 1 1 76 76 GLU C C 73 176.800 176.800 176.833 -0.033 18318 7932 1 19 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.130 0.070 18318 7933 1 19 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.334 -0.234 18318 7934 1 19 . 1 1 76 76 GLU H H 73 7.950 7.950 8.176 -0.226 18318 7935 1 19 . 1 1 77 77 ALA N N 74 119.200 119.200 121.111 -1.911 18318 7936 1 19 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.507 -0.147 18318 7937 1 19 . 1 1 77 77 ALA C C 74 175.400 175.400 177.423 -2.023 18318 7938 1 19 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.567 -0.467 18318 7939 1 19 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.493 -0.293 18318 7940 1 19 . 1 1 77 77 ALA H H 74 8.320 8.320 8.184 0.136 18318 7941 1 19 . 1 1 78 78 ALA N N 75 124.400 124.400 120.734 3.666 18318 7942 1 19 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.571 -0.191 18318 7943 1 19 . 1 1 78 78 ALA C C 75 177.200 177.200 178.464 -1.264 18318 7944 1 19 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.729 -0.329 18318 7945 1 19 . 1 1 78 78 ALA CB C 75 18.000 18.000 18.019 -0.019 18318 7946 1 19 . 1 1 78 78 ALA H H 75 7.900 7.900 7.909 -0.009 18318 7947 1 19 . 1 1 79 79 VAL N N 76 118.400 118.400 118.077 0.323 18318 7948 1 19 . 1 1 79 79 VAL HA H 76 3.790 3.790 3.949 -0.159 18318 7949 1 19 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.185 0.915 18318 7950 1 19 . 1 1 79 79 VAL CB C 76 31.300 31.300 30.447 0.853 18318 7951 1 19 . 1 1 79 79 VAL H H 76 8.100 8.100 7.912 0.188 18318 7952 1 19 . 1 1 80 80 GLY C C 77 175.900 175.900 175.411 0.489 18318 7953 1 19 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.702 -0.302 18318 7954 1 19 . 1 1 81 81 ASN N N 78 119.300 119.300 117.746 1.554 18318 7955 1 19 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.887 -0.287 18318 7956 1 19 . 1 1 81 81 ASN C C 78 176.700 176.700 175.341 1.359 18318 7957 1 19 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.269 1.231 18318 7958 1 19 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.151 -2.851 18318 7959 1 19 . 1 1 81 81 ASN H H 78 8.200 8.200 7.742 0.458 18318 7960 1 19 . 1 1 82 82 CYS N N 79 117.200 117.200 120.301 -3.101 18318 7961 1 19 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.454 0.946 18318 7962 1 19 . 1 1 82 82 CYS C C 79 175.800 175.800 173.238 2.562 18318 7963 1 19 . 1 1 82 82 CYS CA C 79 53.500 53.500 59.423 -5.923 18318 7964 1 19 . 1 1 82 82 CYS CB C 79 39.300 39.300 27.577 11.723 18318 7965 1 19 . 1 1 82 82 CYS H H 79 8.330 8.330 7.990 0.340 18318 7966 1 19 . 1 1 83 83 ALA N N 80 125.000 125.000 129.450 -4.450 18318 7967 1 19 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.435 -0.285 18318 7968 1 19 . 1 1 83 83 ALA C C 80 179.900 179.900 176.932 2.968 18318 7969 1 19 . 1 1 83 83 ALA CA C 80 56.200 56.200 52.224 3.976 18318 7970 1 19 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.584 -1.384 18318 7971 1 19 . 1 1 83 83 ALA H H 80 7.700 7.700 8.342 -0.642 18318 7972 1 19 . 1 1 84 84 GLU N N 81 118.900 118.900 121.143 -2.243 18318 7973 1 19 . 1 1 84 84 GLU HA H 81 3.950 3.950 4.096 -0.146 18318 7974 1 19 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.237 0.763 18318 7975 1 19 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.813 -0.913 18318 7976 1 19 . 1 1 84 84 GLU H H 81 8.920 8.920 8.714 0.206 18318 7977 1 19 . 1 1 85 85 HIS C C 82 178.500 178.500 177.191 1.309 18318 7978 1 19 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.350 -2.250 18318 7979 1 19 . 1 1 86 86 MET N N 83 118.800 118.800 116.166 2.634 18318 7980 1 19 . 1 1 86 86 MET C C 83 177.200 177.200 178.690 -1.490 18318 7981 1 19 . 1 1 86 86 MET CA C 83 58.900 58.900 59.373 -0.473 18318 7982 1 19 . 1 1 86 86 MET CB C 83 31.300 31.300 32.166 -0.867 18318 7983 1 19 . 1 1 86 86 MET H H 83 7.460 7.460 8.206 -0.746 18318 7984 1 19 . 1 1 87 87 ARG N N 84 119.500 119.500 117.239 2.261 18318 7985 1 19 . 1 1 87 87 ARG HA H 84 3.910 3.910 4.157 -0.247 18318 7986 1 19 . 1 1 87 87 ARG C C 84 178.600 178.600 178.900 -0.300 18318 7987 1 19 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.443 1.457 18318 7988 1 19 . 1 1 87 87 ARG CB C 84 29.500 29.500 30.098 -0.598 18318 7989 1 19 . 1 1 87 87 ARG H H 84 8.220 8.220 7.685 0.535 18318 7990 1 19 . 1 1 88 88 ARG N N 85 117.900 117.900 120.896 -2.996 18318 7991 1 19 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.185 -0.265 18318 7992 1 19 . 1 1 88 88 ARG C C 85 179.700 179.700 178.177 1.523 18318 7993 1 19 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.141 0.359 18318 7994 1 19 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.750 0.250 18318 7995 1 19 . 1 1 88 88 ARG H H 85 8.100 8.100 8.276 -0.176 18318 7996 1 19 . 1 1 89 89 PHE N N 86 119.700 119.700 121.056 -1.356 18318 7997 1 19 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.246 0.104 18318 7998 1 19 . 1 1 89 89 PHE C C 86 175.600 175.600 177.450 -1.850 18318 7999 1 19 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.553 -0.453 18318 8000 1 19 . 1 1 89 89 PHE CB C 86 37.800 37.800 38.806 -1.006 18318 8001 1 19 . 1 1 89 89 PHE H H 86 7.930 7.930 8.971 -1.041 18318 8002 1 19 . 1 1 90 90 LEU N N 87 120.400 120.400 117.825 2.575 18318 8003 1 19 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.927 -0.217 18318 8004 1 19 . 1 1 90 90 LEU C C 87 179.200 179.200 178.937 0.263 18318 8005 1 19 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.405 0.295 18318 8006 1 19 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.940 -1.640 18318 8007 1 19 . 1 1 90 90 LEU H H 87 8.640 8.640 7.743 0.897 18318 8008 1 19 . 1 1 91 91 GLN N N 88 118.200 118.200 119.787 -1.587 18318 8009 1 19 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.079 -0.039 18318 8010 1 19 . 1 1 91 91 GLN C C 88 178.000 178.000 178.534 -0.534 18318 8011 1 19 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.123 -0.423 18318 8012 1 19 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.474 -0.474 18318 8013 1 19 . 1 1 91 91 GLN H H 88 8.380 8.380 7.643 0.737 18318 8014 1 19 . 1 1 92 92 CYS N N 89 119.000 119.000 117.716 1.284 18318 8015 1 19 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.389 -0.339 18318 8016 1 19 . 1 1 92 92 CYS C C 89 176.600 176.600 177.396 -0.796 18318 8017 1 19 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.858 -1.758 18318 8018 1 19 . 1 1 92 92 CYS CB C 89 39.500 39.500 26.024 13.476 18318 8019 1 19 . 1 1 92 92 CYS H H 89 7.390 7.390 8.676 -1.286 18318 8020 1 19 . 1 1 93 93 ALA N N 90 122.900 122.900 121.681 1.219 18318 8021 1 19 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.097 -0.187 18318 8022 1 19 . 1 1 93 93 ALA C C 90 179.200 179.200 178.360 0.840 18318 8023 1 19 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.352 0.348 18318 8024 1 19 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.375 -0.575 18318 8025 1 19 . 1 1 93 93 ALA H H 90 8.410 8.410 8.107 0.303 18318 8026 1 19 . 1 1 94 94 GLU N N 91 115.800 115.800 119.259 -3.459 18318 8027 1 19 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.087 0.063 18318 8028 1 19 . 1 1 94 94 GLU C C 91 177.400 177.400 178.542 -1.142 18318 8029 1 19 . 1 1 94 94 GLU CA C 91 57.900 57.900 57.737 0.163 18318 8030 1 19 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.873 -0.473 18318 8031 1 19 . 1 1 94 94 GLU H H 91 7.880 7.880 7.787 0.093 18318 8032 1 19 . 1 1 95 95 GLN N N 92 115.500 115.500 118.903 -3.403 18318 8033 1 19 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.140 0.150 18318 8034 1 19 . 1 1 95 95 GLN C C 92 176.600 176.600 176.280 0.320 18318 8035 1 19 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.789 -1.489 18318 8036 1 19 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.413 -0.513 18318 8037 1 19 . 1 1 95 95 GLN H H 92 7.450 7.450 7.909 -0.459 18318 8038 1 20 . 1 1 15 15 CYS N N 12 117.500 117.500 119.791 -2.291 18318 8039 1 20 . 1 1 15 15 CYS C C 12 175.500 175.500 175.694 -0.194 18318 8040 1 20 . 1 1 15 15 CYS CA C 12 53.700 53.700 57.934 -4.234 18318 8041 1 20 . 1 1 15 15 CYS CB C 12 36.700 36.700 29.893 6.807 18318 8042 1 20 . 1 1 15 15 CYS H H 12 8.280 8.280 8.585 -0.305 18318 8043 1 20 . 1 1 16 16 GLY N N 13 108.700 108.700 108.168 0.532 18318 8044 1 20 . 1 1 16 16 GLY C C 13 176.600 176.600 174.745 1.855 18318 8045 1 20 . 1 1 16 16 GLY CA C 13 47.900 47.900 45.110 2.790 18318 8046 1 20 . 1 1 16 16 GLY H H 13 8.080 8.080 8.725 -0.645 18318 8047 1 20 . 1 1 17 17 ARG N N 14 123.300 123.300 118.760 4.540 18318 8048 1 20 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.157 -0.197 18318 8049 1 20 . 1 1 17 17 ARG C C 14 179.300 179.300 177.256 2.044 18318 8050 1 20 . 1 1 17 17 ARG CA C 14 59.200 59.200 55.962 3.238 18318 8051 1 20 . 1 1 17 17 ARG CB C 14 29.100 29.100 28.342 0.758 18318 8052 1 20 . 1 1 17 17 ARG H H 14 8.630 8.630 8.093 0.537 18318 8053 1 20 . 1 1 18 18 GLU N N 15 121.900 121.900 121.043 0.857 18318 8054 1 20 . 1 1 18 18 GLU HA H 15 4.170 4.170 3.956 0.214 18318 8055 1 20 . 1 1 18 18 GLU C C 15 177.900 177.900 177.454 0.446 18318 8056 1 20 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.944 2.156 18318 8057 1 20 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.588 -1.388 18318 8058 1 20 . 1 1 18 18 GLU H H 15 9.670 9.670 7.742 1.928 18318 8059 1 20 . 1 1 19 19 LEU N N 16 119.400 119.400 119.686 -0.286 18318 8060 1 20 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.244 2.656 18318 8061 1 20 . 1 1 19 19 LEU H H 16 8.090 8.090 8.292 -0.202 18318 8062 1 20 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.042 -0.362 18318 8063 1 20 . 1 1 20 20 GLU C C 17 177.200 177.200 178.748 -1.548 18318 8064 1 20 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.093 0.207 18318 8065 1 20 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.625 -0.625 18318 8066 1 20 . 1 1 21 21 GLN N N 18 118.500 118.500 119.665 -1.165 18318 8067 1 20 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.147 -0.107 18318 8068 1 20 . 1 1 21 21 GLN C C 18 177.200 177.200 178.090 -0.890 18318 8069 1 20 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.520 0.480 18318 8070 1 20 . 1 1 21 21 GLN CB C 18 28.700 28.700 29.067 -0.367 18318 8071 1 20 . 1 1 21 21 GLN H H 18 8.560 8.560 7.508 1.052 18318 8072 1 20 . 1 1 22 22 TYR N N 19 120.700 120.700 119.010 1.690 18318 8073 1 20 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.721 -0.441 18318 8074 1 20 . 1 1 22 22 TYR C C 19 176.600 176.600 178.719 -2.119 18318 8075 1 20 . 1 1 22 22 TYR CA C 19 62.100 62.100 59.827 2.273 18318 8076 1 20 . 1 1 22 22 TYR CB C 19 38.900 38.900 37.623 1.277 18318 8077 1 20 . 1 1 22 22 TYR H H 19 8.120 8.120 8.250 -0.130 18318 8078 1 20 . 1 1 23 23 GLY N N 20 105.600 105.600 107.791 -2.191 18318 8079 1 20 . 1 1 23 23 GLY C C 20 176.700 176.700 176.392 0.308 18318 8080 1 20 . 1 1 23 23 GLY CA C 20 47.100 47.100 47.363 -0.263 18318 8081 1 20 . 1 1 23 23 GLY H H 20 8.390 8.390 7.908 0.482 18318 8082 1 20 . 1 1 24 24 GLN N N 21 120.300 120.300 120.971 -0.671 18318 8083 1 20 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.262 -0.212 18318 8084 1 20 . 1 1 24 24 GLN C C 21 178.000 178.000 178.308 -0.308 18318 8085 1 20 . 1 1 24 24 GLN CA C 21 58.600 58.600 59.269 -0.669 18318 8086 1 20 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.503 -0.903 18318 8087 1 20 . 1 1 24 24 GLN H H 21 8.130 8.130 7.868 0.262 18318 8088 1 20 . 1 1 25 25 CYS N N 22 121.500 121.500 118.677 2.823 18318 8089 1 20 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.352 -0.072 18318 8090 1 20 . 1 1 25 25 CYS C C 22 175.400 175.400 178.077 -2.677 18318 8091 1 20 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.947 -2.347 18318 8092 1 20 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.555 13.345 18318 8093 1 20 . 1 1 25 25 CYS H H 22 7.610 7.610 8.055 -0.445 18318 8094 1 20 . 1 1 26 26 VAL N N 23 119.900 119.900 118.708 1.192 18318 8095 1 20 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.268 -0.478 18318 8096 1 20 . 1 1 26 26 VAL C C 23 177.100 177.100 177.046 0.054 18318 8097 1 20 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.477 0.423 18318 8098 1 20 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.605 -2.305 18318 8099 1 20 . 1 1 26 26 VAL H H 23 8.040 8.040 8.240 -0.200 18318 8100 1 20 . 1 1 27 27 ALA N N 24 117.400 117.400 121.757 -4.357 18318 8101 1 20 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.179 -0.079 18318 8102 1 20 . 1 1 27 27 ALA C C 24 178.600 178.600 179.092 -0.492 18318 8103 1 20 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.638 -0.538 18318 8104 1 20 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.718 -0.818 18318 8105 1 20 . 1 1 27 27 ALA H H 24 7.430 7.430 7.709 -0.279 18318 8106 1 20 . 1 1 28 28 ALA N N 25 116.100 116.100 121.043 -4.943 18318 8107 1 20 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.228 0.102 18318 8108 1 20 . 1 1 28 28 ALA C C 25 178.100 178.100 177.962 0.138 18318 8109 1 20 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.863 -1.263 18318 8110 1 20 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.694 -0.594 18318 8111 1 20 . 1 1 28 28 ALA H H 25 7.120 7.120 7.937 -0.817 18318 8112 1 20 . 1 1 29 29 LYS N N 26 119.200 119.200 113.777 5.423 18318 8113 1 20 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.989 4.711 18318 8114 1 20 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.800 -2.700 18318 8115 1 20 . 1 1 29 29 LYS H H 26 7.560 7.560 7.455 0.105 18318 8116 1 20 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.315 -0.105 18318 8117 1 20 . 1 1 30 30 PRO C C 27 177.000 177.000 177.767 -0.767 18318 8118 1 20 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.670 0.230 18318 8119 1 20 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.322 -0.722 18318 8120 1 20 . 1 1 31 31 GLU N N 28 114.600 114.600 117.996 -3.396 18318 8121 1 20 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.533 -0.083 18318 8122 1 20 . 1 1 31 31 GLU C C 28 176.100 176.100 178.849 -2.749 18318 8123 1 20 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.381 -1.181 18318 8124 1 20 . 1 1 31 31 GLU CB C 28 29.600 29.600 29.612 -0.012 18318 8125 1 20 . 1 1 31 31 GLU H H 28 8.770 8.770 8.622 0.148 18318 8126 1 20 . 1 1 32 32 SER N N 29 111.000 111.000 114.880 -3.880 18318 8127 1 20 . 1 1 32 32 SER HA H 29 4.510 4.510 4.327 0.183 18318 8128 1 20 . 1 1 32 32 SER C C 29 176.600 176.600 176.251 0.349 18318 8129 1 20 . 1 1 32 32 SER CA C 29 58.500 58.500 60.565 -2.065 18318 8130 1 20 . 1 1 32 32 SER CB C 29 63.800 63.800 62.650 1.150 18318 8131 1 20 . 1 1 32 32 SER H H 29 7.750 7.750 8.480 -0.730 18318 8132 1 20 . 1 1 33 33 TRP N N 30 125.000 125.000 123.256 1.744 18318 8133 1 20 . 1 1 33 33 TRP C C 30 177.200 177.200 177.480 -0.280 18318 8134 1 20 . 1 1 33 33 TRP CA C 30 60.000 60.000 59.893 0.107 18318 8135 1 20 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.834 0.666 18318 8136 1 20 . 1 1 33 33 TRP H H 30 7.820 7.820 7.770 0.050 18318 8137 1 20 . 1 1 34 34 GLN N N 31 123.600 123.600 119.080 4.520 18318 8138 1 20 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.215 1.235 18318 8139 1 20 . 1 1 34 34 GLN C C 31 176.800 176.800 177.362 -0.562 18318 8140 1 20 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.666 2.234 18318 8141 1 20 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.052 -1.552 18318 8142 1 20 . 1 1 34 34 GLN H H 31 8.240 8.240 7.304 0.936 18318 8143 1 20 . 1 1 35 35 ARG N N 32 115.900 115.900 117.560 -1.660 18318 8144 1 20 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.176 0.104 18318 8145 1 20 . 1 1 35 35 ARG C C 32 178.900 178.900 178.254 0.646 18318 8146 1 20 . 1 1 35 35 ARG CA C 32 57.400 57.400 57.476 -0.076 18318 8147 1 20 . 1 1 35 35 ARG CB C 32 31.300 31.300 29.981 1.319 18318 8148 1 20 . 1 1 35 35 ARG H H 32 7.450 7.450 7.247 0.203 18318 8149 1 20 . 1 1 36 36 ASP N N 33 117.700 117.700 118.680 -0.980 18318 8150 1 20 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.678 -0.538 18318 8151 1 20 . 1 1 36 36 ASP C C 33 177.600 177.600 176.531 1.069 18318 8152 1 20 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.219 0.981 18318 8153 1 20 . 1 1 36 36 ASP CB C 33 40.900 40.900 42.144 -1.244 18318 8154 1 20 . 1 1 36 36 ASP H H 33 8.760 8.760 7.984 0.776 18318 8155 1 20 . 1 1 37 37 CYS N N 34 113.300 113.300 117.967 -4.667 18318 8156 1 20 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.870 0.530 18318 8157 1 20 . 1 1 37 37 CYS C C 34 175.800 175.800 175.068 0.732 18318 8158 1 20 . 1 1 37 37 CYS CA C 34 53.100 53.100 56.202 -3.102 18318 8159 1 20 . 1 1 37 37 CYS CB C 34 39.500 39.500 26.653 12.847 18318 8160 1 20 . 1 1 37 37 CYS H H 34 8.260 8.260 7.466 0.794 18318 8161 1 20 . 1 1 38 38 HIS N N 35 124.200 124.200 122.284 1.916 18318 8162 1 20 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.401 -0.051 18318 8163 1 20 . 1 1 38 38 HIS C C 35 177.400 177.400 176.068 1.332 18318 8164 1 20 . 1 1 38 38 HIS CA C 35 61.000 61.000 58.181 2.819 18318 8165 1 20 . 1 1 38 38 HIS CB C 35 30.600 30.600 29.662 0.938 18318 8166 1 20 . 1 1 38 38 HIS H H 35 7.520 7.520 8.243 -0.723 18318 8167 1 20 . 1 1 39 39 TYR N N 36 117.100 117.100 120.596 -3.496 18318 8168 1 20 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.322 -0.022 18318 8169 1 20 . 1 1 39 39 TYR C C 36 177.700 177.700 177.179 0.521 18318 8170 1 20 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.938 -0.338 18318 8171 1 20 . 1 1 39 39 TYR CB C 36 36.200 36.200 38.167 -1.967 18318 8172 1 20 . 1 1 39 39 TYR H H 36 8.930 8.930 7.484 1.446 18318 8173 1 20 . 1 1 40 40 LEU N N 37 122.000 122.000 119.552 2.448 18318 8174 1 20 . 1 1 40 40 LEU HA H 37 4.170 4.170 3.942 0.228 18318 8175 1 20 . 1 1 40 40 LEU C C 37 179.400 179.400 178.707 0.693 18318 8176 1 20 . 1 1 40 40 LEU CA C 37 56.500 56.500 58.437 -1.937 18318 8177 1 20 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.675 0.725 18318 8178 1 20 . 1 1 40 40 LEU H H 37 6.940 6.940 8.057 -1.117 18318 8179 1 20 . 1 1 41 41 LYS N N 38 125.300 125.300 118.805 6.495 18318 8180 1 20 . 1 1 41 41 LYS C C 38 179.600 179.600 179.005 0.595 18318 8181 1 20 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.436 0.164 18318 8182 1 20 . 1 1 41 41 LYS CB C 38 31.000 31.000 32.297 -1.297 18318 8183 1 20 . 1 1 41 41 LYS H H 38 7.880 7.880 7.441 0.439 18318 8184 1 20 . 1 1 42 42 MET N N 39 117.600 117.600 117.193 0.407 18318 8185 1 20 . 1 1 42 42 MET HA H 39 4.120 4.120 4.065 0.055 18318 8186 1 20 . 1 1 42 42 MET C C 39 178.900 178.900 178.377 0.523 18318 8187 1 20 . 1 1 42 42 MET CA C 39 57.200 57.200 59.053 -1.853 18318 8188 1 20 . 1 1 42 42 MET CB C 39 30.000 30.000 32.241 -2.241 18318 8189 1 20 . 1 1 42 42 MET H H 39 8.090 8.090 7.538 0.552 18318 8190 1 20 . 1 1 43 43 SER N N 40 115.900 115.900 115.279 0.621 18318 8191 1 20 . 1 1 43 43 SER HA H 40 4.290 4.290 4.255 0.035 18318 8192 1 20 . 1 1 43 43 SER C C 40 177.400 177.400 176.167 1.233 18318 8193 1 20 . 1 1 43 43 SER CA C 40 61.700 61.700 61.247 0.453 18318 8194 1 20 . 1 1 43 43 SER CB C 40 62.500 62.500 62.966 -0.466 18318 8195 1 20 . 1 1 43 43 SER H H 40 7.600 7.600 7.583 0.017 18318 8196 1 20 . 1 1 44 44 ILE N N 41 121.900 121.900 122.103 -0.203 18318 8197 1 20 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.617 -0.077 18318 8198 1 20 . 1 1 44 44 ILE C C 41 177.500 177.500 177.286 0.214 18318 8199 1 20 . 1 1 44 44 ILE CA C 41 66.100 66.100 64.984 1.116 18318 8200 1 20 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.731 0.169 18318 8201 1 20 . 1 1 44 44 ILE H H 41 7.540 7.540 7.713 -0.173 18318 8202 1 20 . 1 1 45 45 ALA N N 42 122.600 122.600 119.869 2.731 18318 8203 1 20 . 1 1 45 45 ALA HA H 42 4.180 4.180 3.978 0.202 18318 8204 1 20 . 1 1 45 45 ALA C C 42 180.200 180.200 179.286 0.914 18318 8205 1 20 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.792 0.008 18318 8206 1 20 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.236 -0.937 18318 8207 1 20 . 1 1 45 45 ALA H H 42 7.420 7.420 7.652 -0.232 18318 8208 1 20 . 1 1 46 46 GLN N N 43 118.400 118.400 117.843 0.557 18318 8209 1 20 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.160 -0.190 18318 8210 1 20 . 1 1 46 46 GLN C C 43 178.500 178.500 178.579 -0.079 18318 8211 1 20 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.641 0.059 18318 8212 1 20 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.930 -1.130 18318 8213 1 20 . 1 1 46 46 GLN H H 43 8.290 8.290 7.723 0.567 18318 8214 1 20 . 1 1 47 47 CYS N N 44 119.500 119.500 119.322 0.178 18318 8215 1 20 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.214 -0.124 18318 8216 1 20 . 1 1 47 47 CYS C C 44 176.500 176.500 177.324 -0.824 18318 8217 1 20 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.600 -2.300 18318 8218 1 20 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.693 13.207 18318 8219 1 20 . 1 1 47 47 CYS H H 44 7.590 7.590 8.401 -0.811 18318 8220 1 20 . 1 1 48 48 THR N N 45 113.000 113.000 112.583 0.417 18318 8221 1 20 . 1 1 48 48 THR C C 45 175.900 175.900 174.532 1.368 18318 8222 1 20 . 1 1 48 48 THR CA C 45 65.400 65.400 64.524 0.876 18318 8223 1 20 . 1 1 48 48 THR CB C 45 68.800 68.800 68.602 0.198 18318 8224 1 20 . 1 1 48 48 THR H H 45 8.810 8.810 7.794 1.016 18318 8225 1 20 . 1 1 49 49 SER N N 46 113.200 113.200 115.121 -1.921 18318 8226 1 20 . 1 1 49 49 SER HA H 46 4.380 4.380 4.701 -0.321 18318 8227 1 20 . 1 1 49 49 SER C C 46 175.600 175.600 174.115 1.485 18318 8228 1 20 . 1 1 49 49 SER CA C 46 60.000 60.000 59.248 0.752 18318 8229 1 20 . 1 1 49 49 SER CB C 46 63.900 63.900 63.480 0.420 18318 8230 1 20 . 1 1 49 49 SER H H 46 7.890 7.890 7.435 0.455 18318 8231 1 20 . 1 1 50 50 SER N N 47 114.100 114.100 114.890 -0.790 18318 8232 1 20 . 1 1 50 50 SER HA H 47 4.390 4.390 4.482 -0.092 18318 8233 1 20 . 1 1 50 50 SER CA C 47 59.100 59.100 59.489 -0.389 18318 8234 1 20 . 1 1 50 50 SER CB C 47 64.800 64.800 63.766 1.034 18318 8235 1 20 . 1 1 50 50 SER H H 47 7.770 7.770 7.605 0.165 18318 8236 1 20 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.008 0.582 18318 8237 1 20 . 1 1 55 55 ARG C C 52 178.500 178.500 177.886 0.614 18318 8238 1 20 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.911 1.089 18318 8239 1 20 . 1 1 56 56 GLN N N 53 117.700 117.700 118.604 -0.904 18318 8240 1 20 . 1 1 56 56 GLN C C 53 175.000 175.000 178.043 -3.043 18318 8241 1 20 . 1 1 56 56 GLN CA C 53 60.200 60.200 58.684 1.516 18318 8242 1 20 . 1 1 56 56 GLN H H 53 8.110 8.110 8.483 -0.373 18318 8243 1 20 . 1 1 57 57 ILE N N 54 121.200 121.200 119.094 2.106 18318 8244 1 20 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.736 -0.416 18318 8245 1 20 . 1 1 57 57 ILE C C 54 178.700 178.700 178.559 0.141 18318 8246 1 20 . 1 1 57 57 ILE CA C 54 66.000 66.000 64.398 1.602 18318 8247 1 20 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.674 0.026 18318 8248 1 20 . 1 1 57 57 ILE H H 54 7.820 7.820 7.821 -0.001 18318 8249 1 20 . 1 1 58 58 ARG N N 55 118.900 118.900 119.779 -0.879 18318 8250 1 20 . 1 1 58 58 ARG HA H 55 4.310 4.310 3.999 0.311 18318 8251 1 20 . 1 1 58 58 ARG C C 55 178.600 178.600 178.945 -0.345 18318 8252 1 20 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.472 1.428 18318 8253 1 20 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.296 2.204 18318 8254 1 20 . 1 1 58 58 ARG H H 55 8.250 8.250 7.792 0.458 18318 8255 1 20 . 1 1 59 59 GLN N N 56 115.800 115.800 117.880 -2.080 18318 8256 1 20 . 1 1 59 59 GLN C C 56 178.100 178.100 176.269 1.831 18318 8257 1 20 . 1 1 59 59 GLN CA C 56 58.000 58.000 57.707 0.293 18318 8258 1 20 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.467 0.333 18318 8259 1 20 . 1 1 59 59 GLN H H 56 7.920 7.920 7.494 0.426 18318 8260 1 20 . 1 1 60 60 ALA N N 57 121.600 121.600 119.989 1.611 18318 8261 1 20 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.125 0.055 18318 8262 1 20 . 1 1 60 60 ALA C C 57 179.600 179.600 178.214 1.386 18318 8263 1 20 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.312 1.188 18318 8264 1 20 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.002 -0.102 18318 8265 1 20 . 1 1 60 60 ALA H H 57 8.490 8.490 7.318 1.172 18318 8266 1 20 . 1 1 61 61 CYS N N 58 114.000 114.000 118.185 -4.185 18318 8267 1 20 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.330 0.800 18318 8268 1 20 . 1 1 61 61 CYS C C 58 175.000 175.000 174.385 0.615 18318 8269 1 20 . 1 1 61 61 CYS CA C 58 52.700 52.700 60.362 -7.662 18318 8270 1 20 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.067 14.733 18318 8271 1 20 . 1 1 61 61 CYS H H 58 8.370 8.370 7.459 0.911 18318 8272 1 20 . 1 1 62 62 ALA N N 59 124.900 124.900 127.979 -3.079 18318 8273 1 20 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.335 -0.065 18318 8274 1 20 . 1 1 62 62 ALA C C 59 179.200 179.200 178.713 0.487 18318 8275 1 20 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.202 3.298 18318 8276 1 20 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.890 -1.090 18318 8277 1 20 . 1 1 62 62 ALA H H 59 7.200 7.200 8.110 -0.910 18318 8278 1 20 . 1 1 63 63 GLN N N 60 115.800 115.800 119.590 -3.790 18318 8279 1 20 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.137 0.343 18318 8280 1 20 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.360 0.840 18318 8281 1 20 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.398 -1.698 18318 8282 1 20 . 1 1 63 63 GLN H H 60 9.040 9.040 8.793 0.247 18318 8283 1 20 . 1 1 64 64 PRO C C 61 179.700 179.700 178.169 1.531 18318 8284 1 20 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.132 0.468 18318 8285 1 20 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.224 -0.424 18318 8286 1 20 . 1 1 65 65 PHE N N 62 120.500 120.500 119.119 1.381 18318 8287 1 20 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.315 -0.035 18318 8288 1 20 . 1 1 65 65 PHE C C 62 176.400 176.400 176.741 -0.341 18318 8289 1 20 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.943 1.457 18318 8290 1 20 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.296 -0.696 18318 8291 1 20 . 1 1 65 65 PHE H H 62 8.500 8.500 8.164 0.336 18318 8292 1 20 . 1 1 66 66 GLU N N 63 120.200 120.200 119.840 0.360 18318 8293 1 20 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.828 0.202 18318 8294 1 20 . 1 1 66 66 GLU C C 63 179.300 179.300 178.439 0.861 18318 8295 1 20 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.583 -0.383 18318 8296 1 20 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.574 -1.074 18318 8297 1 20 . 1 1 66 66 GLU H H 63 8.900 8.900 8.171 0.729 18318 8298 1 20 . 1 1 67 67 ALA N N 64 120.600 120.600 122.682 -2.082 18318 8299 1 20 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.844 0.026 18318 8300 1 20 . 1 1 67 67 ALA C C 64 180.500 180.500 179.654 0.846 18318 8301 1 20 . 1 1 67 67 ALA CA C 64 54.700 54.700 55.109 -0.409 18318 8302 1 20 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.081 0.019 18318 8303 1 20 . 1 1 67 67 ALA H H 64 8.150 8.150 7.259 0.891 18318 8304 1 20 . 1 1 68 68 PHE N N 65 120.000 120.000 116.251 3.749 18318 8305 1 20 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.120 0.200 18318 8306 1 20 . 1 1 68 68 PHE C C 65 175.400 175.400 177.574 -2.174 18318 8307 1 20 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.541 0.259 18318 8308 1 20 . 1 1 68 68 PHE CB C 65 38.000 38.000 37.764 0.236 18318 8309 1 20 . 1 1 68 68 PHE H H 65 7.810 7.810 6.929 0.881 18318 8310 1 20 . 1 1 69 69 GLU N N 66 119.400 119.400 120.183 -0.783 18318 8311 1 20 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.745 0.425 18318 8312 1 20 . 1 1 69 69 GLU C C 66 178.800 178.800 178.742 0.058 18318 8313 1 20 . 1 1 69 69 GLU CA C 66 60.200 60.200 59.317 0.883 18318 8314 1 20 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.098 0.002 18318 8315 1 20 . 1 1 69 69 GLU H H 66 8.330 8.330 7.677 0.653 18318 8316 1 20 . 1 1 70 70 GLU N N 67 118.600 118.600 119.004 -0.404 18318 8317 1 20 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.159 -0.189 18318 8318 1 20 . 1 1 70 70 GLU C C 67 177.700 177.700 178.569 -0.869 18318 8319 1 20 . 1 1 70 70 GLU CA C 67 58.800 58.800 59.083 -0.283 18318 8320 1 20 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.398 -0.698 18318 8321 1 20 . 1 1 70 70 GLU H H 67 8.240 8.240 8.011 0.229 18318 8322 1 20 . 1 1 71 71 CYS N N 68 119.100 119.100 119.528 -0.428 18318 8323 1 20 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.211 -0.131 18318 8324 1 20 . 1 1 71 71 CYS C C 68 177.900 177.900 177.115 0.785 18318 8325 1 20 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.438 -2.838 18318 8326 1 20 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.383 12.617 18318 8327 1 20 . 1 1 71 71 CYS H H 68 7.580 7.580 7.547 0.033 18318 8328 1 20 . 1 1 72 72 LEU N N 69 122.000 122.000 117.521 4.479 18318 8329 1 20 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.211 -0.511 18318 8330 1 20 . 1 1 72 72 LEU C C 69 179.300 179.300 179.306 -0.006 18318 8331 1 20 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.127 0.473 18318 8332 1 20 . 1 1 72 72 LEU CB C 69 41.000 41.000 40.696 0.304 18318 8333 1 20 . 1 1 72 72 LEU H H 69 8.090 8.090 7.754 0.336 18318 8334 1 20 . 1 1 73 73 ARG N N 70 117.400 117.400 119.222 -1.822 18318 8335 1 20 . 1 1 73 73 ARG HA H 70 4.010 4.010 4.019 -0.009 18318 8336 1 20 . 1 1 73 73 ARG C C 70 178.500 178.500 178.551 -0.051 18318 8337 1 20 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.526 0.174 18318 8338 1 20 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.970 0.130 18318 8339 1 20 . 1 1 73 73 ARG H H 70 7.600 7.600 7.490 0.110 18318 8340 1 20 . 1 1 74 74 GLN N N 71 115.800 115.800 115.907 -0.107 18318 8341 1 20 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.411 -0.121 18318 8342 1 20 . 1 1 74 74 GLN C C 71 176.200 176.200 176.850 -0.650 18318 8343 1 20 . 1 1 74 74 GLN CA C 71 56.400 56.400 57.345 -0.945 18318 8344 1 20 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.363 -1.163 18318 8345 1 20 . 1 1 74 74 GLN H H 71 7.580 7.580 7.720 -0.140 18318 8346 1 20 . 1 1 75 75 ASN N N 72 118.600 118.600 117.851 0.749 18318 8347 1 20 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.954 0.036 18318 8348 1 20 . 1 1 75 75 ASN C C 72 174.800 174.800 175.624 -0.824 18318 8349 1 20 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.332 0.668 18318 8350 1 20 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.046 1.754 18318 8351 1 20 . 1 1 75 75 ASN H H 72 7.750 7.750 8.319 -0.569 18318 8352 1 20 . 1 1 76 76 GLU N N 73 120.200 120.200 121.902 -1.702 18318 8353 1 20 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.883 0.077 18318 8354 1 20 . 1 1 76 76 GLU C C 73 176.800 176.800 176.881 -0.081 18318 8355 1 20 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.749 -0.549 18318 8356 1 20 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.784 -0.684 18318 8357 1 20 . 1 1 76 76 GLU H H 73 7.950 7.950 8.256 -0.306 18318 8358 1 20 . 1 1 77 77 ALA N N 74 119.200 119.200 118.713 0.487 18318 8359 1 20 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.437 -0.077 18318 8360 1 20 . 1 1 77 77 ALA C C 74 175.400 175.400 176.964 -1.564 18318 8361 1 20 . 1 1 77 77 ALA CA C 74 52.100 52.100 51.748 0.352 18318 8362 1 20 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.099 0.101 18318 8363 1 20 . 1 1 77 77 ALA H H 74 8.320 8.320 8.062 0.258 18318 8364 1 20 . 1 1 78 78 ALA N N 75 124.400 124.400 121.827 2.573 18318 8365 1 20 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.664 -0.284 18318 8366 1 20 . 1 1 78 78 ALA C C 75 177.200 177.200 178.120 -0.920 18318 8367 1 20 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.817 -0.417 18318 8368 1 20 . 1 1 78 78 ALA CB C 75 18.000 18.000 19.636 -1.636 18318 8369 1 20 . 1 1 78 78 ALA H H 75 7.900 7.900 7.798 0.102 18318 8370 1 20 . 1 1 79 79 VAL N N 76 118.400 118.400 118.509 -0.109 18318 8371 1 20 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.177 -0.387 18318 8372 1 20 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.078 1.022 18318 8373 1 20 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.137 0.163 18318 8374 1 20 . 1 1 79 79 VAL H H 76 8.100 8.100 8.368 -0.268 18318 8375 1 20 . 1 1 80 80 GLY C C 77 175.900 175.900 175.384 0.516 18318 8376 1 20 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.327 0.073 18318 8377 1 20 . 1 1 81 81 ASN N N 78 119.300 119.300 118.676 0.624 18318 8378 1 20 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.821 -0.221 18318 8379 1 20 . 1 1 81 81 ASN C C 78 176.700 176.700 175.170 1.530 18318 8380 1 20 . 1 1 81 81 ASN CA C 78 54.500 54.500 53.386 1.114 18318 8381 1 20 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.428 -3.128 18318 8382 1 20 . 1 1 81 81 ASN H H 78 8.200 8.200 7.908 0.292 18318 8383 1 20 . 1 1 82 82 CYS N N 79 117.200 117.200 116.026 1.174 18318 8384 1 20 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.792 0.608 18318 8385 1 20 . 1 1 82 82 CYS C C 79 175.800 175.800 172.730 3.070 18318 8386 1 20 . 1 1 82 82 CYS CA C 79 53.500 53.500 55.904 -2.404 18318 8387 1 20 . 1 1 82 82 CYS CB C 79 39.300 39.300 30.731 8.569 18318 8388 1 20 . 1 1 82 82 CYS H H 79 8.330 8.330 7.478 0.852 18318 8389 1 20 . 1 1 83 83 ALA N N 80 125.000 125.000 124.484 0.516 18318 8390 1 20 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.715 -0.565 18318 8391 1 20 . 1 1 83 83 ALA C C 80 179.900 179.900 177.410 2.490 18318 8392 1 20 . 1 1 83 83 ALA CA C 80 56.200 56.200 50.527 5.673 18318 8393 1 20 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.428 -1.228 18318 8394 1 20 . 1 1 83 83 ALA H H 80 7.700 7.700 8.493 -0.793 18318 8395 1 20 . 1 1 84 84 GLU N N 81 118.900 118.900 126.549 -7.649 18318 8396 1 20 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.725 0.225 18318 8397 1 20 . 1 1 84 84 GLU CA C 81 59.000 59.000 59.464 -0.464 18318 8398 1 20 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.079 -0.179 18318 8399 1 20 . 1 1 84 84 GLU H H 81 8.920 8.920 8.930 -0.010 18318 8400 1 20 . 1 1 85 85 HIS C C 82 178.500 178.500 177.155 1.345 18318 8401 1 20 . 1 1 85 85 HIS CA C 82 56.100 56.100 59.809 -3.709 18318 8402 1 20 . 1 1 86 86 MET N N 83 118.800 118.800 118.033 0.767 18318 8403 1 20 . 1 1 86 86 MET C C 83 177.200 177.200 178.430 -1.230 18318 8404 1 20 . 1 1 86 86 MET CA C 83 58.900 58.900 57.471 1.429 18318 8405 1 20 . 1 1 86 86 MET CB C 83 31.300 31.300 32.424 -1.124 18318 8406 1 20 . 1 1 86 86 MET H H 83 7.460 7.460 7.871 -0.411 18318 8407 1 20 . 1 1 87 87 ARG N N 84 119.500 119.500 119.648 -0.148 18318 8408 1 20 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.811 0.099 18318 8409 1 20 . 1 1 87 87 ARG C C 84 178.600 178.600 177.904 0.696 18318 8410 1 20 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.623 1.277 18318 8411 1 20 . 1 1 87 87 ARG CB C 84 29.500 29.500 28.557 0.943 18318 8412 1 20 . 1 1 87 87 ARG H H 84 8.220 8.220 8.231 -0.011 18318 8413 1 20 . 1 1 88 88 ARG N N 85 117.900 117.900 120.270 -2.370 18318 8414 1 20 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.184 -0.264 18318 8415 1 20 . 1 1 88 88 ARG C C 85 179.700 179.700 178.731 0.969 18318 8416 1 20 . 1 1 88 88 ARG CA C 85 59.500 59.500 60.232 -0.732 18318 8417 1 20 . 1 1 88 88 ARG CB C 85 30.000 30.000 30.115 -0.115 18318 8418 1 20 . 1 1 88 88 ARG H H 85 8.100 8.100 8.120 -0.020 18318 8419 1 20 . 1 1 89 89 PHE N N 86 119.700 119.700 118.231 1.469 18318 8420 1 20 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.315 0.035 18318 8421 1 20 . 1 1 89 89 PHE C C 86 175.600 175.600 177.736 -2.136 18318 8422 1 20 . 1 1 89 89 PHE CA C 86 61.100 61.100 61.206 -0.106 18318 8423 1 20 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.142 -1.342 18318 8424 1 20 . 1 1 89 89 PHE H H 86 7.930 7.930 7.642 0.288 18318 8425 1 20 . 1 1 90 90 LEU N N 87 120.400 120.400 120.327 0.073 18318 8426 1 20 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.927 -0.217 18318 8427 1 20 . 1 1 90 90 LEU C C 87 179.200 179.200 178.784 0.416 18318 8428 1 20 . 1 1 90 90 LEU CA C 87 57.700 57.700 58.206 -0.506 18318 8429 1 20 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.719 -1.419 18318 8430 1 20 . 1 1 90 90 LEU H H 87 8.640 8.640 7.472 1.168 18318 8431 1 20 . 1 1 91 91 GLN N N 88 118.200 118.200 118.439 -0.239 18318 8432 1 20 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.090 -0.050 18318 8433 1 20 . 1 1 91 91 GLN C C 88 178.000 178.000 178.850 -0.850 18318 8434 1 20 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.021 -0.321 18318 8435 1 20 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.455 -0.455 18318 8436 1 20 . 1 1 91 91 GLN H H 88 8.380 8.380 8.777 -0.397 18318 8437 1 20 . 1 1 92 92 CYS N N 89 119.000 119.000 116.982 2.018 18318 8438 1 20 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.270 -0.220 18318 8439 1 20 . 1 1 92 92 CYS C C 89 176.600 176.600 177.320 -0.720 18318 8440 1 20 . 1 1 92 92 CYS CA C 89 60.100 60.100 62.246 -2.146 18318 8441 1 20 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.613 13.886 18318 8442 1 20 . 1 1 92 92 CYS H H 89 7.390 7.390 8.185 -0.795 18318 8443 1 20 . 1 1 93 93 ALA N N 90 122.900 122.900 122.591 0.309 18318 8444 1 20 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.111 -0.201 18318 8445 1 20 . 1 1 93 93 ALA C C 90 179.200 179.200 179.330 -0.130 18318 8446 1 20 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.667 0.033 18318 8447 1 20 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.156 -0.356 18318 8448 1 20 . 1 1 93 93 ALA H H 90 8.410 8.410 7.485 0.925 18318 8449 1 20 . 1 1 94 94 GLU N N 91 115.800 115.800 118.511 -2.711 18318 8450 1 20 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.074 0.076 18318 8451 1 20 . 1 1 94 94 GLU C C 91 177.400 177.400 178.637 -1.237 18318 8452 1 20 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.543 -0.643 18318 8453 1 20 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.672 -0.272 18318 8454 1 20 . 1 1 94 94 GLU H H 91 7.880 7.880 8.020 -0.140 18318 8455 1 20 . 1 1 95 95 GLN N N 92 115.500 115.500 117.723 -2.223 18318 8456 1 20 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.164 0.126 18318 8457 1 20 . 1 1 95 95 GLN C C 92 176.600 176.600 176.285 0.315 18318 8458 1 20 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.639 -1.339 18318 8459 1 20 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.374 -0.474 18318 8460 1 20 . 1 1 95 95 GLN H H 92 7.450 7.450 7.897 -0.447 18318 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 71 2.693 0.244 2.701 18318 2 1 1 "Average Difference" HA 65 0.306 0.015 0.308 18318 3 1 1 "Average Difference" C 71 1.195 -0.016 1.204 18318 4 1 1 "Average Difference" CA 77 1.862 0.006 1.874 18318 5 1 1 "Average Difference" CB 70 4.343 -1.032 4.249 18318 6 1 1 "Average Difference" HN 71 0.615 -0.067 0.616 18318 7 1 2 "Average Difference" N 71 2.694 0.322 2.694 18318 8 1 2 "Average Difference" HA 65 0.278 0.014 0.280 18318 9 1 2 "Average Difference" C 71 1.211 -0.133 1.212 18318 10 1 2 "Average Difference" CA 77 1.879 -0.125 1.888 18318 11 1 2 "Average Difference" CB 70 4.325 -0.981 4.243 18318 12 1 2 "Average Difference" HN 71 0.544 -0.123 0.534 18318 13 1 3 "Average Difference" N 71 2.714 -0.156 2.729 18318 14 1 3 "Average Difference" HA 65 0.327 0.038 0.328 18318 15 1 3 "Average Difference" C 71 1.237 -0.227 1.225 18318 16 1 3 "Average Difference" CA 77 1.922 -0.213 1.923 18318 17 1 3 "Average Difference" CB 70 4.224 -0.931 4.150 18318 18 1 3 "Average Difference" HN 71 0.625 -0.128 0.616 18318 19 1 4 "Average Difference" N 71 2.789 0.425 2.776 18318 20 1 4 "Average Difference" HA 65 0.281 0.003 0.283 18318 21 1 4 "Average Difference" C 71 1.175 -0.173 1.170 18318 22 1 4 "Average Difference" CA 77 1.947 -0.028 1.960 18318 23 1 4 "Average Difference" CB 70 4.373 -0.924 4.306 18318 24 1 4 "Average Difference" HN 71 0.571 -0.122 0.562 18318 25 1 5 "Average Difference" N 71 2.835 0.297 2.839 18318 26 1 5 "Average Difference" HA 65 0.287 0.021 0.288 18318 27 1 5 "Average Difference" C 71 1.147 -0.081 1.152 18318 28 1 5 "Average Difference" CA 77 1.908 0.034 1.921 18318 29 1 5 "Average Difference" CB 70 4.366 -0.983 4.285 18318 30 1 5 "Average Difference" HN 71 0.553 -0.089 0.549 18318 31 1 6 "Average Difference" N 71 2.589 0.342 2.584 18318 32 1 6 "Average Difference" HA 65 0.299 -0.006 0.301 18318 33 1 6 "Average Difference" C 71 1.246 -0.125 1.249 18318 34 1 6 "Average Difference" CA 77 1.868 -0.112 1.877 18318 35 1 6 "Average Difference" CB 70 4.406 -1.055 4.309 18318 36 1 6 "Average Difference" HN 71 0.605 -0.128 0.596 18318 37 1 7 "Average Difference" N 71 2.737 0.017 2.757 18318 38 1 7 "Average Difference" HA 65 0.290 0.008 0.293 18318 39 1 7 "Average Difference" C 71 1.245 -0.168 1.242 18318 40 1 7 "Average Difference" CA 77 1.705 -0.080 1.714 18318 41 1 7 "Average Difference" CB 70 4.268 -0.985 4.183 18318 42 1 7 "Average Difference" HN 71 0.583 -0.116 0.575 18318 43 1 8 "Average Difference" N 71 2.875 0.258 2.884 18318 44 1 8 "Average Difference" HA 65 0.299 0.011 0.301 18318 45 1 8 "Average Difference" C 71 1.202 -0.174 1.197 18318 46 1 8 "Average Difference" CA 77 1.932 -0.043 1.944 18318 47 1 8 "Average Difference" CB 70 4.241 -0.873 4.180 18318 48 1 8 "Average Difference" HN 71 0.632 -0.116 0.626 18318 49 1 9 "Average Difference" N 71 2.657 0.357 2.652 18318 50 1 9 "Average Difference" HA 65 0.303 0.025 0.305 18318 51 1 9 "Average Difference" C 71 1.272 -0.117 1.276 18318 52 1 9 "Average Difference" CA 77 1.985 0.022 1.998 18318 53 1 9 "Average Difference" CB 70 4.417 -0.966 4.341 18318 54 1 9 "Average Difference" HN 71 0.647 -0.078 0.647 18318 55 1 10 "Average Difference" N 71 2.657 0.114 2.673 18318 56 1 10 "Average Difference" HA 65 0.326 0.023 0.328 18318 57 1 10 "Average Difference" C 71 1.156 -0.119 1.158 18318 58 1 10 "Average Difference" CA 77 1.965 -0.120 1.974 18318 59 1 10 "Average Difference" CB 70 4.374 -1.016 4.286 18318 60 1 10 "Average Difference" HN 71 0.580 -0.139 0.567 18318 61 1 11 "Average Difference" N 71 2.758 0.135 2.774 18318 62 1 11 "Average Difference" HA 65 0.282 0.030 0.282 18318 63 1 11 "Average Difference" C 71 1.212 -0.111 1.215 18318 64 1 11 "Average Difference" CA 77 1.751 -0.081 1.761 18318 65 1 11 "Average Difference" CB 70 4.183 -0.982 4.095 18318 66 1 11 "Average Difference" HN 71 0.568 -0.076 0.567 18318 67 1 12 "Average Difference" N 71 2.567 0.221 2.576 18318 68 1 12 "Average Difference" HA 65 0.280 0.073 0.272 18318 69 1 12 "Average Difference" C 71 1.152 0.005 1.160 18318 70 1 12 "Average Difference" CA 77 1.872 -0.136 1.880 18318 71 1 12 "Average Difference" CB 70 4.312 -0.986 4.228 18318 72 1 12 "Average Difference" HN 71 0.572 -0.083 0.570 18318 73 1 13 "Average Difference" N 71 2.650 0.178 2.663 18318 74 1 13 "Average Difference" HA 65 0.261 0.010 0.263 18318 75 1 13 "Average Difference" C 71 1.175 -0.152 1.174 18318 76 1 13 "Average Difference" CA 77 1.828 -0.062 1.839 18318 77 1 13 "Average Difference" CB 70 4.216 -0.922 4.144 18318 78 1 13 "Average Difference" HN 71 0.626 -0.112 0.620 18318 79 1 14 "Average Difference" N 71 2.596 0.214 2.606 18318 80 1 14 "Average Difference" HA 65 0.323 0.021 0.325 18318 81 1 14 "Average Difference" C 71 1.268 -0.187 1.264 18318 82 1 14 "Average Difference" CA 77 1.800 -0.006 1.811 18318 83 1 14 "Average Difference" CB 70 4.226 -0.949 4.148 18318 84 1 14 "Average Difference" HN 71 0.580 -0.112 0.573 18318 85 1 15 "Average Difference" N 71 2.598 0.326 2.595 18318 86 1 15 "Average Difference" HA 65 0.308 0.049 0.306 18318 87 1 15 "Average Difference" C 71 1.222 -0.137 1.223 18318 88 1 15 "Average Difference" CA 77 1.986 -0.081 1.997 18318 89 1 15 "Average Difference" CB 70 4.348 -0.961 4.271 18318 90 1 15 "Average Difference" HN 71 0.597 -0.125 0.588 18318 91 1 16 "Average Difference" N 71 2.555 0.291 2.556 18318 92 1 16 "Average Difference" HA 65 0.317 -0.017 0.319 18318 93 1 16 "Average Difference" C 71 1.157 -0.035 1.164 18318 94 1 16 "Average Difference" CA 77 1.804 -0.041 1.815 18318 95 1 16 "Average Difference" CB 70 4.281 -0.955 4.204 18318 96 1 16 "Average Difference" HN 71 0.595 -0.092 0.592 18318 97 1 17 "Average Difference" N 71 2.469 0.281 2.470 18318 98 1 17 "Average Difference" HA 65 0.328 0.020 0.330 18318 99 1 17 "Average Difference" C 71 1.105 -0.126 1.106 18318 100 1 17 "Average Difference" CA 77 1.892 -0.049 1.904 18318 101 1 17 "Average Difference" CB 70 4.361 -0.994 4.277 18318 102 1 17 "Average Difference" HN 71 0.531 -0.094 0.526 18318 103 1 18 "Average Difference" N 71 2.768 0.284 2.773 18318 104 1 18 "Average Difference" HA 65 0.293 0.012 0.295 18318 105 1 18 "Average Difference" C 71 1.181 -0.147 1.180 18318 106 1 18 "Average Difference" CA 77 1.810 -0.171 1.814 18318 107 1 18 "Average Difference" CB 70 4.383 -0.995 4.299 18318 108 1 18 "Average Difference" HN 71 0.577 -0.132 0.566 18318 109 1 19 "Average Difference" N 71 2.806 0.096 2.824 18318 110 1 19 "Average Difference" HA 65 0.307 0.008 0.309 18318 111 1 19 "Average Difference" C 71 1.223 -0.160 1.221 18318 112 1 19 "Average Difference" CA 77 2.072 -0.175 2.078 18318 113 1 19 "Average Difference" CB 70 4.460 -1.032 4.371 18318 114 1 19 "Average Difference" HN 71 0.556 -0.079 0.554 18318 115 1 20 "Average Difference" N 71 2.562 0.156 2.575 18318 116 1 20 "Average Difference" HA 65 0.315 0.008 0.317 18318 117 1 20 "Average Difference" C 71 1.216 -0.090 1.221 18318 118 1 20 "Average Difference" CA 77 1.933 -0.090 1.944 18318 119 1 20 "Average Difference" CB 70 4.287 -1.004 4.198 18318 120 1 20 "Average Difference" HN 71 0.632 -0.152 0.617 18318 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 18318 _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 15 15 CYS N N 12 117.500 117.500 121.155 -3.655 18318 2 1 . 1 1 15 15 CYS C C 12 175.500 175.500 175.388 0.112 18318 3 1 . 1 1 15 15 CYS CA C 12 53.700 53.700 58.385 -4.685 18318 4 1 . 1 1 15 15 CYS CB C 12 36.700 36.700 30.003 6.697 18318 5 1 . 1 1 15 15 CYS H H 12 8.280 8.280 8.735 -0.455 18318 6 1 . 1 1 16 16 GLY N N 13 108.700 108.700 110.082 -1.382 18318 7 1 . 1 1 16 16 GLY C C 13 176.600 176.600 175.275 1.325 18318 8 1 . 1 1 16 16 GLY CA C 13 47.900 47.900 46.126 1.774 18318 9 1 . 1 1 16 16 GLY H H 13 8.080 8.080 8.871 -0.791 18318 10 1 . 1 1 17 17 ARG N N 14 123.300 123.300 120.479 2.821 18318 11 1 . 1 1 17 17 ARG HA H 14 3.960 3.960 4.162 -0.202 18318 12 1 . 1 1 17 17 ARG C C 14 179.300 179.300 177.506 1.794 18318 13 1 . 1 1 17 17 ARG CA C 14 59.200 59.200 57.892 1.308 18318 14 1 . 1 1 17 17 ARG CB C 14 29.100 29.100 29.010 0.089 18318 15 1 . 1 1 17 17 ARG H H 14 8.630 8.630 8.413 0.217 18318 16 1 . 1 1 18 18 GLU N N 15 121.900 121.900 120.168 1.732 18318 17 1 . 1 1 18 18 GLU HA H 15 4.170 4.170 4.207 -0.037 18318 18 1 . 1 1 18 18 GLU C C 15 177.900 177.900 178.061 -0.161 18318 19 1 . 1 1 18 18 GLU CA C 15 61.100 61.100 58.972 2.128 18318 20 1 . 1 1 18 18 GLU CB C 15 28.200 28.200 29.243 -1.043 18318 21 1 . 1 1 18 18 GLU H H 15 9.670 9.670 8.092 1.578 18318 22 1 . 1 1 19 19 LEU N N 16 119.400 119.400 120.547 -1.147 18318 23 1 . 1 1 19 19 LEU CA C 16 59.900 59.900 57.378 2.522 18318 24 1 . 1 1 19 19 LEU H H 16 8.090 8.090 7.892 0.198 18318 25 1 . 1 1 20 20 GLU HA H 17 3.680 3.680 4.024 -0.344 18318 26 1 . 1 1 20 20 GLU C C 17 177.200 177.200 179.083 -1.883 18318 27 1 . 1 1 20 20 GLU CA C 17 59.300 59.300 59.520 -0.220 18318 28 1 . 1 1 20 20 GLU CB C 17 29.000 29.000 29.621 -0.621 18318 29 1 . 1 1 21 21 GLN N N 18 118.500 118.500 118.959 -0.459 18318 30 1 . 1 1 21 21 GLN HA H 18 4.040 4.040 4.154 -0.114 18318 31 1 . 1 1 21 21 GLN C C 18 177.200 177.200 178.285 -1.085 18318 32 1 . 1 1 21 21 GLN CA C 18 59.000 59.000 58.540 0.460 18318 33 1 . 1 1 21 21 GLN CB C 18 28.700 28.700 28.881 -0.181 18318 34 1 . 1 1 21 21 GLN H H 18 8.560 8.560 7.935 0.625 18318 35 1 . 1 1 22 22 TYR N N 19 120.700 120.700 120.780 -0.080 18318 36 1 . 1 1 22 22 TYR HA H 19 4.280 4.280 4.427 -0.147 18318 37 1 . 1 1 22 22 TYR C C 19 176.600 176.600 177.941 -1.341 18318 38 1 . 1 1 22 22 TYR CA C 19 62.100 62.100 60.367 1.733 18318 39 1 . 1 1 22 22 TYR CB C 19 38.900 38.900 38.123 0.778 18318 40 1 . 1 1 22 22 TYR H H 19 8.120 8.120 8.554 -0.434 18318 41 1 . 1 1 23 23 GLY N N 20 105.600 105.600 106.615 -1.015 18318 42 1 . 1 1 23 23 GLY C C 20 176.700 176.700 176.053 0.647 18318 43 1 . 1 1 23 23 GLY CA C 20 47.100 47.100 46.808 0.291 18318 44 1 . 1 1 23 23 GLY H H 20 8.390 8.390 7.934 0.456 18318 45 1 . 1 1 24 24 GLN N N 21 120.300 120.300 121.077 -0.777 18318 46 1 . 1 1 24 24 GLN HA H 21 4.050 4.050 4.176 -0.126 18318 47 1 . 1 1 24 24 GLN C C 21 178.000 178.000 178.308 -0.308 18318 48 1 . 1 1 24 24 GLN CA C 21 58.600 58.600 58.813 -0.213 18318 49 1 . 1 1 24 24 GLN CB C 21 27.600 27.600 28.754 -1.154 18318 50 1 . 1 1 24 24 GLN H H 21 8.130 8.130 7.711 0.419 18318 51 1 . 1 1 25 25 CYS N N 22 121.500 121.500 118.503 2.997 18318 52 1 . 1 1 25 25 CYS HA H 22 4.280 4.280 4.410 -0.130 18318 53 1 . 1 1 25 25 CYS C C 22 175.400 175.400 177.387 -1.987 18318 54 1 . 1 1 25 25 CYS CA C 22 60.600 60.600 62.767 -2.166 18318 55 1 . 1 1 25 25 CYS CB C 22 39.900 39.900 26.622 13.278 18318 56 1 . 1 1 25 25 CYS H H 22 7.610 7.610 8.056 -0.446 18318 57 1 . 1 1 26 26 VAL N N 23 119.900 119.900 119.623 0.277 18318 58 1 . 1 1 26 26 VAL HA H 23 3.790 3.790 4.079 -0.289 18318 59 1 . 1 1 26 26 VAL C C 23 177.100 177.100 177.242 -0.143 18318 60 1 . 1 1 26 26 VAL CA C 23 65.900 65.900 65.002 0.898 18318 61 1 . 1 1 26 26 VAL CB C 23 29.300 29.300 31.474 -2.174 18318 62 1 . 1 1 26 26 VAL H H 23 8.040 8.040 7.759 0.281 18318 63 1 . 1 1 27 27 ALA N N 24 117.400 117.400 121.468 -4.068 18318 64 1 . 1 1 27 27 ALA HA H 24 4.100 4.100 4.078 0.022 18318 65 1 . 1 1 27 27 ALA C C 24 178.600 178.600 178.769 -0.169 18318 66 1 . 1 1 27 27 ALA CA C 24 54.100 54.100 54.498 -0.398 18318 67 1 . 1 1 27 27 ALA CB C 24 17.900 17.900 18.666 -0.766 18318 68 1 . 1 1 27 27 ALA H H 24 7.430 7.430 7.676 -0.246 18318 69 1 . 1 1 28 28 ALA N N 25 116.100 116.100 120.743 -4.643 18318 70 1 . 1 1 28 28 ALA HA H 25 4.330 4.330 4.166 0.164 18318 71 1 . 1 1 28 28 ALA C C 25 178.100 178.100 177.903 0.197 18318 72 1 . 1 1 28 28 ALA CA C 25 52.600 52.600 53.719 -1.119 18318 73 1 . 1 1 28 28 ALA CB C 25 19.100 19.100 19.644 -0.544 18318 74 1 . 1 1 28 28 ALA H H 25 7.120 7.120 7.737 -0.617 18318 75 1 . 1 1 29 29 LYS N N 26 119.200 119.200 113.991 5.209 18318 76 1 . 1 1 29 29 LYS CA C 26 58.700 58.700 53.522 5.178 18318 77 1 . 1 1 29 29 LYS CB C 26 32.100 32.100 34.473 -2.373 18318 78 1 . 1 1 29 29 LYS H H 26 7.560 7.560 7.511 0.049 18318 79 1 . 1 1 30 30 PRO HA H 27 4.210 4.210 4.315 -0.105 18318 80 1 . 1 1 30 30 PRO C C 27 177.000 177.000 178.205 -1.205 18318 81 1 . 1 1 30 30 PRO CA C 27 65.900 65.900 65.487 0.413 18318 82 1 . 1 1 30 30 PRO CB C 27 31.600 31.600 32.075 -0.475 18318 83 1 . 1 1 31 31 GLU N N 28 114.600 114.600 118.264 -3.664 18318 84 1 . 1 1 31 31 GLU HA H 28 4.450 4.450 4.375 0.075 18318 85 1 . 1 1 31 31 GLU C C 28 176.100 176.100 178.462 -2.362 18318 86 1 . 1 1 31 31 GLU CA C 28 57.200 57.200 58.279 -1.079 18318 87 1 . 1 1 31 31 GLU CB C 28 29.600 29.600 28.782 0.818 18318 88 1 . 1 1 31 31 GLU H H 28 8.770 8.770 8.773 -0.003 18318 89 1 . 1 1 32 32 SER N N 29 111.000 111.000 115.591 -4.591 18318 90 1 . 1 1 32 32 SER HA H 29 4.510 4.510 4.276 0.234 18318 91 1 . 1 1 32 32 SER C C 29 176.600 176.600 176.005 0.595 18318 92 1 . 1 1 32 32 SER CA C 29 58.500 58.500 60.589 -2.089 18318 93 1 . 1 1 32 32 SER CB C 29 63.800 63.800 62.626 1.174 18318 94 1 . 1 1 32 32 SER H H 29 7.750 7.750 8.378 -0.628 18318 95 1 . 1 1 33 33 TRP N N 30 125.000 125.000 123.337 1.663 18318 96 1 . 1 1 33 33 TRP C C 30 177.200 177.200 177.591 -0.391 18318 97 1 . 1 1 33 33 TRP CA C 30 60.000 60.000 60.482 -0.482 18318 98 1 . 1 1 33 33 TRP CB C 30 29.500 29.500 28.694 0.805 18318 99 1 . 1 1 33 33 TRP H H 30 7.820 7.820 7.722 0.098 18318 100 1 . 1 1 34 34 GLN N N 31 123.600 123.600 117.283 6.317 18318 101 1 . 1 1 34 34 GLN HA H 31 4.450 4.450 3.808 0.642 18318 102 1 . 1 1 34 34 GLN C C 31 176.800 176.800 177.742 -0.942 18318 103 1 . 1 1 34 34 GLN CA C 31 59.900 59.900 57.654 2.246 18318 104 1 . 1 1 34 34 GLN CB C 31 26.500 26.500 28.549 -2.049 18318 105 1 . 1 1 34 34 GLN H H 31 8.240 8.240 7.468 0.772 18318 106 1 . 1 1 35 35 ARG N N 32 115.900 115.900 118.687 -2.787 18318 107 1 . 1 1 35 35 ARG HA H 32 4.280 4.280 4.046 0.234 18318 108 1 . 1 1 35 35 ARG C C 32 178.900 178.900 178.219 0.681 18318 109 1 . 1 1 35 35 ARG CA C 32 57.400 57.400 58.808 -1.408 18318 110 1 . 1 1 35 35 ARG CB C 32 31.300 31.300 30.251 1.049 18318 111 1 . 1 1 35 35 ARG H H 32 7.450 7.450 7.464 -0.014 18318 112 1 . 1 1 36 36 ASP N N 33 117.700 117.700 118.895 -1.195 18318 113 1 . 1 1 36 36 ASP HA H 33 4.140 4.140 4.569 -0.429 18318 114 1 . 1 1 36 36 ASP C C 33 177.600 177.600 176.935 0.665 18318 115 1 . 1 1 36 36 ASP CA C 33 57.200 57.200 56.628 0.572 18318 116 1 . 1 1 36 36 ASP CB C 33 40.900 40.900 41.603 -0.703 18318 117 1 . 1 1 36 36 ASP H H 33 8.760 8.760 8.239 0.521 18318 118 1 . 1 1 37 37 CYS N N 34 113.300 113.300 117.358 -4.058 18318 119 1 . 1 1 37 37 CYS HA H 34 5.400 5.400 4.763 0.637 18318 120 1 . 1 1 37 37 CYS C C 34 175.800 175.800 174.719 1.081 18318 121 1 . 1 1 37 37 CYS CA C 34 53.100 53.100 57.165 -4.065 18318 122 1 . 1 1 37 37 CYS CB C 34 39.500 39.500 25.861 13.639 18318 123 1 . 1 1 37 37 CYS H H 34 8.260 8.260 7.695 0.565 18318 124 1 . 1 1 38 38 HIS N N 35 124.200 124.200 124.370 -0.170 18318 125 1 . 1 1 38 38 HIS HA H 35 4.350 4.350 4.375 -0.025 18318 126 1 . 1 1 38 38 HIS C C 35 177.400 177.400 176.149 1.251 18318 127 1 . 1 1 38 38 HIS CA C 35 61.000 61.000 59.017 1.983 18318 128 1 . 1 1 38 38 HIS CB C 35 30.600 30.600 30.635 -0.035 18318 129 1 . 1 1 38 38 HIS H H 35 7.520 7.520 8.237 -0.717 18318 130 1 . 1 1 39 39 TYR N N 36 117.100 117.100 118.689 -1.589 18318 131 1 . 1 1 39 39 TYR HA H 36 4.300 4.300 4.302 -0.002 18318 132 1 . 1 1 39 39 TYR C C 36 177.700 177.700 177.400 0.300 18318 133 1 . 1 1 39 39 TYR CA C 36 60.600 60.600 60.992 -0.392 18318 134 1 . 1 1 39 39 TYR CB C 36 36.200 36.200 37.988 -1.788 18318 135 1 . 1 1 39 39 TYR H H 36 8.930 8.930 8.291 0.639 18318 136 1 . 1 1 40 40 LEU N N 37 122.000 122.000 118.655 3.345 18318 137 1 . 1 1 40 40 LEU HA H 37 4.170 4.170 4.096 0.074 18318 138 1 . 1 1 40 40 LEU C C 37 179.400 179.400 178.815 0.585 18318 139 1 . 1 1 40 40 LEU CA C 37 56.500 56.500 57.619 -1.119 18318 140 1 . 1 1 40 40 LEU CB C 37 42.400 42.400 41.370 1.030 18318 141 1 . 1 1 40 40 LEU H H 37 6.940 6.940 8.152 -1.212 18318 142 1 . 1 1 41 41 LYS N N 38 125.300 125.300 119.212 6.088 18318 143 1 . 1 1 41 41 LYS C C 38 179.600 179.600 178.546 1.054 18318 144 1 . 1 1 41 41 LYS CA C 38 59.600 59.600 59.103 0.497 18318 145 1 . 1 1 41 41 LYS CB C 38 31.000 31.000 31.921 -0.921 18318 146 1 . 1 1 41 41 LYS H H 38 7.880 7.880 7.629 0.251 18318 147 1 . 1 1 42 42 MET N N 39 117.600 117.600 117.985 -0.385 18318 148 1 . 1 1 42 42 MET HA H 39 4.120 4.120 4.271 -0.151 18318 149 1 . 1 1 42 42 MET C C 39 178.900 178.900 178.097 0.803 18318 150 1 . 1 1 42 42 MET CA C 39 57.200 57.200 57.953 -0.753 18318 151 1 . 1 1 42 42 MET CB C 39 30.000 30.000 32.514 -2.514 18318 152 1 . 1 1 42 42 MET H H 39 8.090 8.090 7.591 0.499 18318 153 1 . 1 1 43 43 SER N N 40 115.900 115.900 116.212 -0.312 18318 154 1 . 1 1 43 43 SER HA H 40 4.290 4.290 4.291 -0.001 18318 155 1 . 1 1 43 43 SER C C 40 177.400 177.400 176.543 0.857 18318 156 1 . 1 1 43 43 SER CA C 40 61.700 61.700 61.695 0.005 18318 157 1 . 1 1 43 43 SER CB C 40 62.500 62.500 63.320 -0.820 18318 158 1 . 1 1 43 43 SER H H 40 7.600 7.600 7.877 -0.277 18318 159 1 . 1 1 44 44 ILE N N 41 121.900 121.900 118.907 2.993 18318 160 1 . 1 1 44 44 ILE HA H 41 3.540 3.540 3.905 -0.365 18318 161 1 . 1 1 44 44 ILE C C 41 177.500 177.500 177.268 0.232 18318 162 1 . 1 1 44 44 ILE CA C 41 66.100 66.100 63.958 2.142 18318 163 1 . 1 1 44 44 ILE CB C 41 37.900 37.900 37.332 0.568 18318 164 1 . 1 1 44 44 ILE H H 41 7.540 7.540 7.986 -0.446 18318 165 1 . 1 1 45 45 ALA N N 42 122.600 122.600 122.174 0.426 18318 166 1 . 1 1 45 45 ALA HA H 42 4.180 4.180 4.032 0.148 18318 167 1 . 1 1 45 45 ALA C C 42 180.200 180.200 179.703 0.497 18318 168 1 . 1 1 45 45 ALA CA C 42 54.800 54.800 54.941 -0.141 18318 169 1 . 1 1 45 45 ALA CB C 42 17.300 17.300 18.292 -0.992 18318 170 1 . 1 1 45 45 ALA H H 42 7.420 7.420 7.739 -0.319 18318 171 1 . 1 1 46 46 GLN N N 43 118.400 118.400 117.269 1.131 18318 172 1 . 1 1 46 46 GLN HA H 43 3.970 3.970 4.092 -0.122 18318 173 1 . 1 1 46 46 GLN C C 43 178.500 178.500 177.795 0.705 18318 174 1 . 1 1 46 46 GLN CA C 43 58.700 58.700 58.414 0.286 18318 175 1 . 1 1 46 46 GLN CB C 43 27.800 27.800 28.694 -0.894 18318 176 1 . 1 1 46 46 GLN H H 43 8.290 8.290 7.837 0.453 18318 177 1 . 1 1 47 47 CYS N N 44 119.500 119.500 118.727 0.773 18318 178 1 . 1 1 47 47 CYS HA H 44 4.090 4.090 4.237 -0.147 18318 179 1 . 1 1 47 47 CYS C C 44 176.500 176.500 177.159 -0.659 18318 180 1 . 1 1 47 47 CYS CA C 44 60.300 60.300 62.003 -1.703 18318 181 1 . 1 1 47 47 CYS CB C 44 39.900 39.900 26.567 13.333 18318 182 1 . 1 1 47 47 CYS H H 44 7.590 7.590 7.820 -0.230 18318 183 1 . 1 1 48 48 THR N N 45 113.000 113.000 114.255 -1.255 18318 184 1 . 1 1 48 48 THR C C 45 175.900 175.900 175.979 -0.079 18318 185 1 . 1 1 48 48 THR CA C 45 65.400 65.400 64.974 0.426 18318 186 1 . 1 1 48 48 THR CB C 45 68.800 68.800 68.462 0.338 18318 187 1 . 1 1 48 48 THR H H 45 8.810 8.810 7.838 0.972 18318 188 1 . 1 1 49 49 SER N N 46 113.200 113.200 116.379 -3.179 18318 189 1 . 1 1 49 49 SER HA H 46 4.380 4.380 4.400 -0.020 18318 190 1 . 1 1 49 49 SER C C 46 175.600 175.600 175.293 0.307 18318 191 1 . 1 1 49 49 SER CA C 46 60.000 60.000 59.577 0.423 18318 192 1 . 1 1 49 49 SER CB C 46 63.900 63.900 63.091 0.809 18318 193 1 . 1 1 49 49 SER H H 46 7.890 7.890 7.742 0.148 18318 194 1 . 1 1 50 50 SER N N 47 114.100 114.100 115.582 -1.482 18318 195 1 . 1 1 50 50 SER HA H 47 4.390 4.390 4.392 -0.002 18318 196 1 . 1 1 50 50 SER CA C 47 59.100 59.100 59.852 -0.752 18318 197 1 . 1 1 50 50 SER CB C 47 64.800 64.800 64.053 0.747 18318 198 1 . 1 1 50 50 SER H H 47 7.770 7.770 7.720 0.050 18318 199 1 . 1 1 55 55 ARG HA H 52 4.590 4.590 4.069 0.521 18318 200 1 . 1 1 55 55 ARG C C 52 178.500 178.500 177.942 0.558 18318 201 1 . 1 1 55 55 ARG CA C 52 60.000 60.000 58.766 1.233 18318 202 1 . 1 1 56 56 GLN N N 53 117.700 117.700 118.819 -1.119 18318 203 1 . 1 1 56 56 GLN C C 53 175.000 175.000 178.255 -3.255 18318 204 1 . 1 1 56 56 GLN CA C 53 60.200 60.200 59.032 1.168 18318 205 1 . 1 1 56 56 GLN H H 53 8.110 8.110 8.455 -0.345 18318 206 1 . 1 1 57 57 ILE N N 54 121.200 121.200 116.642 4.558 18318 207 1 . 1 1 57 57 ILE HA H 54 3.320 3.320 3.838 -0.518 18318 208 1 . 1 1 57 57 ILE C C 54 178.700 178.700 177.806 0.894 18318 209 1 . 1 1 57 57 ILE CA C 54 66.000 66.000 63.612 2.388 18318 210 1 . 1 1 57 57 ILE CB C 54 37.700 37.700 37.294 0.406 18318 211 1 . 1 1 57 57 ILE H H 54 7.820 7.820 7.822 -0.002 18318 212 1 . 1 1 58 58 ARG N N 55 118.900 118.900 119.742 -0.842 18318 213 1 . 1 1 58 58 ARG HA H 55 4.310 4.310 4.010 0.300 18318 214 1 . 1 1 58 58 ARG C C 55 178.600 178.600 178.173 0.427 18318 215 1 . 1 1 58 58 ARG CA C 55 59.900 59.900 58.692 1.208 18318 216 1 . 1 1 58 58 ARG CB C 55 31.500 31.500 29.868 1.632 18318 217 1 . 1 1 58 58 ARG H H 55 8.250 8.250 7.650 0.600 18318 218 1 . 1 1 59 59 GLN N N 56 115.800 115.800 117.898 -2.098 18318 219 1 . 1 1 59 59 GLN C C 56 178.100 178.100 176.909 1.191 18318 220 1 . 1 1 59 59 GLN CA C 56 58.000 58.000 58.115 -0.115 18318 221 1 . 1 1 59 59 GLN CB C 56 28.800 28.800 28.734 0.066 18318 222 1 . 1 1 59 59 GLN H H 56 7.920 7.920 7.816 0.104 18318 223 1 . 1 1 60 60 ALA N N 57 121.600 121.600 120.393 1.207 18318 224 1 . 1 1 60 60 ALA HA H 57 4.180 4.180 4.222 -0.042 18318 225 1 . 1 1 60 60 ALA C C 57 179.600 179.600 177.891 1.709 18318 226 1 . 1 1 60 60 ALA CA C 57 54.500 54.500 53.211 1.289 18318 227 1 . 1 1 60 60 ALA CB C 57 18.900 18.900 19.305 -0.405 18318 228 1 . 1 1 60 60 ALA H H 57 8.490 8.490 7.530 0.960 18318 229 1 . 1 1 61 61 CYS N N 58 114.000 114.000 117.120 -3.120 18318 230 1 . 1 1 61 61 CYS HA H 58 5.130 5.130 4.432 0.698 18318 231 1 . 1 1 61 61 CYS C C 58 175.000 175.000 174.640 0.360 18318 232 1 . 1 1 61 61 CYS CA C 58 52.700 52.700 59.450 -6.750 18318 233 1 . 1 1 61 61 CYS CB C 58 39.800 39.800 25.433 14.367 18318 234 1 . 1 1 61 61 CYS H H 58 8.370 8.370 7.752 0.618 18318 235 1 . 1 1 62 62 ALA N N 59 124.900 124.900 127.227 -2.327 18318 236 1 . 1 1 62 62 ALA HA H 59 4.270 4.270 4.399 -0.129 18318 237 1 . 1 1 62 62 ALA C C 59 179.200 179.200 178.622 0.578 18318 238 1 . 1 1 62 62 ALA CA C 59 56.500 56.500 53.397 3.103 18318 239 1 . 1 1 62 62 ALA CB C 59 18.800 18.800 19.752 -0.951 18318 240 1 . 1 1 62 62 ALA H H 59 7.200 7.200 8.256 -1.056 18318 241 1 . 1 1 63 63 GLN N N 60 115.800 115.800 119.722 -3.922 18318 242 1 . 1 1 63 63 GLN HA H 60 4.480 4.480 4.139 0.341 18318 243 1 . 1 1 63 63 GLN CA C 60 61.200 61.200 60.838 0.362 18318 244 1 . 1 1 63 63 GLN CB C 60 24.700 24.700 26.772 -2.072 18318 245 1 . 1 1 63 63 GLN H H 60 9.040 9.040 8.761 0.279 18318 246 1 . 1 1 64 64 PRO C C 61 179.700 179.700 178.020 1.680 18318 247 1 . 1 1 64 64 PRO CA C 61 65.600 65.600 65.295 0.305 18318 248 1 . 1 1 64 64 PRO CB C 61 30.800 30.800 31.178 -0.378 18318 249 1 . 1 1 65 65 PHE N N 62 120.500 120.500 119.151 1.349 18318 250 1 . 1 1 65 65 PHE HA H 62 4.280 4.280 4.382 -0.102 18318 251 1 . 1 1 65 65 PHE C C 62 176.400 176.400 176.977 -0.577 18318 252 1 . 1 1 65 65 PHE CA C 62 62.400 62.400 60.260 2.140 18318 253 1 . 1 1 65 65 PHE CB C 62 38.600 38.600 39.121 -0.521 18318 254 1 . 1 1 65 65 PHE H H 62 8.500 8.500 7.962 0.538 18318 255 1 . 1 1 66 66 GLU N N 63 120.200 120.200 120.236 -0.036 18318 256 1 . 1 1 66 66 GLU HA H 63 4.030 4.030 3.852 0.178 18318 257 1 . 1 1 66 66 GLU C C 63 179.300 179.300 178.407 0.893 18318 258 1 . 1 1 66 66 GLU CA C 63 59.200 59.200 59.303 -0.103 18318 259 1 . 1 1 66 66 GLU CB C 63 28.500 28.500 29.626 -1.126 18318 260 1 . 1 1 66 66 GLU H H 63 8.900 8.900 8.347 0.553 18318 261 1 . 1 1 67 67 ALA N N 64 120.600 120.600 122.212 -1.612 18318 262 1 . 1 1 67 67 ALA HA H 64 3.870 3.870 3.978 -0.108 18318 263 1 . 1 1 67 67 ALA C C 64 180.500 180.500 179.500 1.000 18318 264 1 . 1 1 67 67 ALA CA C 64 54.700 54.700 54.991 -0.291 18318 265 1 . 1 1 67 67 ALA CB C 64 18.100 18.100 18.213 -0.113 18318 266 1 . 1 1 67 67 ALA H H 64 8.150 8.150 7.381 0.769 18318 267 1 . 1 1 68 68 PHE N N 65 120.000 120.000 117.597 2.403 18318 268 1 . 1 1 68 68 PHE HA H 65 4.320 4.320 4.168 0.152 18318 269 1 . 1 1 68 68 PHE C C 65 175.400 175.400 177.417 -2.017 18318 270 1 . 1 1 68 68 PHE CA C 65 59.800 59.800 59.876 -0.076 18318 271 1 . 1 1 68 68 PHE CB C 65 38.000 38.000 38.369 -0.369 18318 272 1 . 1 1 68 68 PHE H H 65 7.810 7.810 7.348 0.462 18318 273 1 . 1 1 69 69 GLU N N 66 119.400 119.400 119.159 0.241 18318 274 1 . 1 1 69 69 GLU HA H 66 4.170 4.170 3.613 0.557 18318 275 1 . 1 1 69 69 GLU C C 66 178.800 178.800 178.755 0.045 18318 276 1 . 1 1 69 69 GLU CA C 66 60.200 60.200 58.976 1.224 18318 277 1 . 1 1 69 69 GLU CB C 66 29.100 29.100 29.010 0.090 18318 278 1 . 1 1 69 69 GLU H H 66 8.330 8.330 7.828 0.502 18318 279 1 . 1 1 70 70 GLU N N 67 118.600 118.600 119.065 -0.465 18318 280 1 . 1 1 70 70 GLU HA H 67 3.970 3.970 4.131 -0.161 18318 281 1 . 1 1 70 70 GLU C C 67 177.700 177.700 178.362 -0.662 18318 282 1 . 1 1 70 70 GLU CA C 67 58.800 58.800 58.811 -0.011 18318 283 1 . 1 1 70 70 GLU CB C 67 28.700 28.700 29.728 -1.028 18318 284 1 . 1 1 70 70 GLU H H 67 8.240 8.240 7.860 0.380 18318 285 1 . 1 1 71 71 CYS N N 68 119.100 119.100 119.015 0.085 18318 286 1 . 1 1 71 71 CYS HA H 68 4.080 4.080 4.194 -0.114 18318 287 1 . 1 1 71 71 CYS C C 68 177.900 177.900 177.276 0.624 18318 288 1 . 1 1 71 71 CYS CA C 68 60.600 60.600 63.254 -2.655 18318 289 1 . 1 1 71 71 CYS CB C 68 39.000 39.000 26.540 12.460 18318 290 1 . 1 1 71 71 CYS H H 68 7.580 7.580 7.767 -0.187 18318 291 1 . 1 1 72 72 LEU N N 69 122.000 122.000 118.353 3.647 18318 292 1 . 1 1 72 72 LEU HA H 69 3.700 3.700 4.210 -0.510 18318 293 1 . 1 1 72 72 LEU C C 69 179.300 179.300 178.919 0.380 18318 294 1 . 1 1 72 72 LEU CA C 69 57.600 57.600 57.054 0.546 18318 295 1 . 1 1 72 72 LEU CB C 69 41.000 41.000 41.282 -0.281 18318 296 1 . 1 1 72 72 LEU H H 69 8.090 8.090 7.646 0.444 18318 297 1 . 1 1 73 73 ARG N N 70 117.400 117.400 118.726 -1.326 18318 298 1 . 1 1 73 73 ARG HA H 70 4.010 4.010 3.958 0.052 18318 299 1 . 1 1 73 73 ARG C C 70 178.500 178.500 178.041 0.459 18318 300 1 . 1 1 73 73 ARG CA C 70 58.700 58.700 58.782 -0.082 18318 301 1 . 1 1 73 73 ARG CB C 70 30.100 30.100 29.912 0.188 18318 302 1 . 1 1 73 73 ARG H H 70 7.600 7.600 7.525 0.075 18318 303 1 . 1 1 74 74 GLN N N 71 115.800 115.800 115.224 0.576 18318 304 1 . 1 1 74 74 GLN HA H 71 4.290 4.290 4.423 -0.133 18318 305 1 . 1 1 74 74 GLN C C 71 176.200 176.200 176.050 0.150 18318 306 1 . 1 1 74 74 GLN CA C 71 56.400 56.400 56.569 -0.169 18318 307 1 . 1 1 74 74 GLN CB C 71 29.200 29.200 30.570 -1.370 18318 308 1 . 1 1 74 74 GLN H H 71 7.580 7.580 7.681 -0.101 18318 309 1 . 1 1 75 75 ASN N N 72 118.600 118.600 118.352 0.248 18318 310 1 . 1 1 75 75 ASN HA H 72 4.990 4.990 4.961 0.029 18318 311 1 . 1 1 75 75 ASN C C 72 174.800 174.800 175.045 -0.245 18318 312 1 . 1 1 75 75 ASN CA C 72 53.000 53.000 52.745 0.255 18318 313 1 . 1 1 75 75 ASN CB C 72 39.800 39.800 38.675 1.126 18318 314 1 . 1 1 75 75 ASN H H 72 7.750 7.750 8.030 -0.280 18318 315 1 . 1 1 76 76 GLU N N 73 120.200 120.200 121.799 -1.599 18318 316 1 . 1 1 76 76 GLU HA H 73 3.960 3.960 3.947 0.013 18318 317 1 . 1 1 76 76 GLU C C 73 176.800 176.800 176.972 -0.172 18318 318 1 . 1 1 76 76 GLU CA C 73 59.200 59.200 59.268 -0.068 18318 319 1 . 1 1 76 76 GLU CB C 73 29.100 29.100 29.468 -0.368 18318 320 1 . 1 1 76 76 GLU H H 73 7.950 7.950 8.077 -0.127 18318 321 1 . 1 1 77 77 ALA N N 74 119.200 119.200 120.207 -1.007 18318 322 1 . 1 1 77 77 ALA HA H 74 4.360 4.360 4.447 -0.087 18318 323 1 . 1 1 77 77 ALA C C 74 175.400 175.400 177.235 -1.835 18318 324 1 . 1 1 77 77 ALA CA C 74 52.100 52.100 52.177 -0.077 18318 325 1 . 1 1 77 77 ALA CB C 74 18.200 18.200 18.289 -0.089 18318 326 1 . 1 1 77 77 ALA H H 74 8.320 8.320 8.107 0.213 18318 327 1 . 1 1 78 78 ALA N N 75 124.400 124.400 121.759 2.641 18318 328 1 . 1 1 78 78 ALA HA H 75 4.380 4.380 4.612 -0.232 18318 329 1 . 1 1 78 78 ALA C C 75 177.200 177.200 178.125 -0.925 18318 330 1 . 1 1 78 78 ALA CA C 75 51.400 51.400 51.703 -0.303 18318 331 1 . 1 1 78 78 ALA CB C 75 18.000 18.000 18.977 -0.977 18318 332 1 . 1 1 78 78 ALA H H 75 7.900 7.900 7.619 0.281 18318 333 1 . 1 1 79 79 VAL N N 76 118.400 118.400 118.917 -0.517 18318 334 1 . 1 1 79 79 VAL HA H 76 3.790 3.790 4.064 -0.274 18318 335 1 . 1 1 79 79 VAL CA C 76 65.100 65.100 64.101 0.999 18318 336 1 . 1 1 79 79 VAL CB C 76 31.300 31.300 31.147 0.153 18318 337 1 . 1 1 79 79 VAL H H 76 8.100 8.100 8.045 0.055 18318 338 1 . 1 1 80 80 GLY C C 77 175.900 175.900 175.380 0.520 18318 339 1 . 1 1 80 80 GLY CA C 77 46.400 46.400 46.599 -0.199 18318 340 1 . 1 1 81 81 ASN N N 78 119.300 119.300 118.131 1.169 18318 341 1 . 1 1 81 81 ASN HA H 78 4.600 4.600 4.846 -0.246 18318 342 1 . 1 1 81 81 ASN C C 78 176.700 176.700 174.817 1.883 18318 343 1 . 1 1 81 81 ASN CA C 78 54.500 54.500 54.000 0.500 18318 344 1 . 1 1 81 81 ASN CB C 78 37.300 37.300 40.149 -2.849 18318 345 1 . 1 1 81 81 ASN H H 78 8.200 8.200 7.877 0.323 18318 346 1 . 1 1 82 82 CYS N N 79 117.200 117.200 116.345 0.855 18318 347 1 . 1 1 82 82 CYS HA H 79 5.400 5.400 4.775 0.625 18318 348 1 . 1 1 82 82 CYS C C 79 175.800 175.800 172.933 2.867 18318 349 1 . 1 1 82 82 CYS CA C 79 53.500 53.500 56.889 -3.389 18318 350 1 . 1 1 82 82 CYS CB C 79 39.300 39.300 29.946 9.354 18318 351 1 . 1 1 82 82 CYS H H 79 8.330 8.330 7.741 0.589 18318 352 1 . 1 1 83 83 ALA N N 80 125.000 125.000 125.672 -0.672 18318 353 1 . 1 1 83 83 ALA HA H 80 4.150 4.150 4.676 -0.526 18318 354 1 . 1 1 83 83 ALA C C 80 179.900 179.900 177.367 2.534 18318 355 1 . 1 1 83 83 ALA CA C 80 56.200 56.200 51.397 4.803 18318 356 1 . 1 1 83 83 ALA CB C 80 18.200 18.200 19.910 -1.710 18318 357 1 . 1 1 83 83 ALA H H 80 7.700 7.700 8.403 -0.703 18318 358 1 . 1 1 84 84 GLU N N 81 118.900 118.900 124.080 -5.180 18318 359 1 . 1 1 84 84 GLU HA H 81 3.950 3.950 3.992 -0.042 18318 360 1 . 1 1 84 84 GLU CA C 81 59.000 59.000 58.936 0.064 18318 361 1 . 1 1 84 84 GLU CB C 81 28.900 28.900 29.434 -0.534 18318 362 1 . 1 1 84 84 GLU H H 81 8.920 8.920 8.893 0.027 18318 363 1 . 1 1 85 85 HIS C C 82 178.500 178.500 177.018 1.482 18318 364 1 . 1 1 85 85 HIS CA C 82 56.100 56.100 58.781 -2.681 18318 365 1 . 1 1 86 86 MET N N 83 118.800 118.800 117.856 0.944 18318 366 1 . 1 1 86 86 MET C C 83 177.200 177.200 178.334 -1.134 18318 367 1 . 1 1 86 86 MET CA C 83 58.900 58.900 58.388 0.512 18318 368 1 . 1 1 86 86 MET CB C 83 31.300 31.300 32.323 -1.023 18318 369 1 . 1 1 86 86 MET H H 83 7.460 7.460 7.999 -0.539 18318 370 1 . 1 1 87 87 ARG N N 84 119.500 119.500 118.721 0.779 18318 371 1 . 1 1 87 87 ARG HA H 84 3.910 3.910 3.989 -0.079 18318 372 1 . 1 1 87 87 ARG C C 84 178.600 178.600 178.383 0.217 18318 373 1 . 1 1 87 87 ARG CA C 84 59.900 59.900 58.698 1.202 18318 374 1 . 1 1 87 87 ARG CB C 84 29.500 29.500 29.326 0.174 18318 375 1 . 1 1 87 87 ARG H H 84 8.220 8.220 7.858 0.362 18318 376 1 . 1 1 88 88 ARG N N 85 117.900 117.900 119.634 -1.734 18318 377 1 . 1 1 88 88 ARG HA H 85 3.920 3.920 4.075 -0.155 18318 378 1 . 1 1 88 88 ARG C C 85 179.700 179.700 178.586 1.114 18318 379 1 . 1 1 88 88 ARG CA C 85 59.500 59.500 59.426 0.074 18318 380 1 . 1 1 88 88 ARG CB C 85 30.000 30.000 29.749 0.251 18318 381 1 . 1 1 88 88 ARG H H 85 8.100 8.100 7.860 0.240 18318 382 1 . 1 1 89 89 PHE N N 86 119.700 119.700 119.198 0.502 18318 383 1 . 1 1 89 89 PHE HA H 86 4.350 4.350 4.285 0.065 18318 384 1 . 1 1 89 89 PHE C C 86 175.600 175.600 177.394 -1.794 18318 385 1 . 1 1 89 89 PHE CA C 86 61.100 61.100 60.876 0.224 18318 386 1 . 1 1 89 89 PHE CB C 86 37.800 37.800 39.041 -1.241 18318 387 1 . 1 1 89 89 PHE H H 86 7.930 7.930 7.877 0.053 18318 388 1 . 1 1 90 90 LEU N N 87 120.400 120.400 119.723 0.677 18318 389 1 . 1 1 90 90 LEU HA H 87 3.710 3.710 3.979 -0.269 18318 390 1 . 1 1 90 90 LEU C C 87 179.200 179.200 178.713 0.487 18318 391 1 . 1 1 90 90 LEU CA C 87 57.700 57.700 57.787 -0.087 18318 392 1 . 1 1 90 90 LEU CB C 87 40.300 40.300 41.821 -1.521 18318 393 1 . 1 1 90 90 LEU H H 87 8.640 8.640 7.636 1.004 18318 394 1 . 1 1 91 91 GLN N N 88 118.200 118.200 118.833 -0.633 18318 395 1 . 1 1 91 91 GLN HA H 88 4.040 4.040 4.100 -0.060 18318 396 1 . 1 1 91 91 GLN C C 88 178.000 178.000 178.548 -0.548 18318 397 1 . 1 1 91 91 GLN CA C 88 58.700 58.700 59.062 -0.362 18318 398 1 . 1 1 91 91 GLN CB C 88 28.000 28.000 28.497 -0.497 18318 399 1 . 1 1 91 91 GLN H H 88 8.380 8.380 8.407 -0.027 18318 400 1 . 1 1 92 92 CYS N N 89 119.000 119.000 117.585 1.415 18318 401 1 . 1 1 92 92 CYS HA H 89 4.050 4.050 4.303 -0.253 18318 402 1 . 1 1 92 92 CYS C C 89 176.600 176.600 177.068 -0.468 18318 403 1 . 1 1 92 92 CYS CA C 89 60.100 60.100 61.660 -1.560 18318 404 1 . 1 1 92 92 CYS CB C 89 39.500 39.500 25.766 13.734 18318 405 1 . 1 1 92 92 CYS H H 89 7.390 7.390 8.077 -0.687 18318 406 1 . 1 1 93 93 ALA N N 90 122.900 122.900 122.164 0.736 18318 407 1 . 1 1 93 93 ALA HA H 90 3.910 3.910 4.069 -0.159 18318 408 1 . 1 1 93 93 ALA C C 90 179.200 179.200 178.985 0.215 18318 409 1 . 1 1 93 93 ALA CA C 90 54.700 54.700 54.588 0.112 18318 410 1 . 1 1 93 93 ALA CB C 90 17.800 17.800 18.299 -0.499 18318 411 1 . 1 1 93 93 ALA H H 90 8.410 8.410 7.659 0.751 18318 412 1 . 1 1 94 94 GLU N N 91 115.800 115.800 118.479 -2.679 18318 413 1 . 1 1 94 94 GLU HA H 91 4.150 4.150 4.109 0.041 18318 414 1 . 1 1 94 94 GLU C C 91 177.400 177.400 178.468 -1.068 18318 415 1 . 1 1 94 94 GLU CA C 91 57.900 57.900 58.120 -0.220 18318 416 1 . 1 1 94 94 GLU CB C 91 29.400 29.400 29.805 -0.405 18318 417 1 . 1 1 94 94 GLU H H 91 7.880 7.880 7.862 0.018 18318 418 1 . 1 1 95 95 GLN N N 92 115.500 115.500 118.150 -2.650 18318 419 1 . 1 1 95 95 GLN HA H 92 4.290 4.290 4.179 0.111 18318 420 1 . 1 1 95 95 GLN C C 92 176.600 176.600 176.374 0.227 18318 421 1 . 1 1 95 95 GLN CA C 92 56.300 56.300 57.343 -1.043 18318 422 1 . 1 1 95 95 GLN CB C 92 28.900 28.900 29.337 -0.437 18318 423 1 . 1 1 95 95 GLN H H 92 7.450 7.450 7.868 -0.418 18318 stop_ save_