data_25588 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25588 _Entry.PDB_ID 2N27 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 25588 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP N N 2 118.400 118.400 120.695 -2.295 25588 2 1 1 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.736 -0.122 25588 3 1 1 . 1 1 2 2 ASP C C 2 173.000 173.000 176.478 -3.478 25588 4 1 1 . 1 1 2 2 ASP CA C 2 52.020 52.020 53.941 -1.921 25588 5 1 1 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.326 -2.506 25588 6 1 1 . 1 1 2 2 ASP H H 2 8.311 8.311 8.476 -0.165 25588 7 1 1 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.234 0.120 25588 8 1 1 . 1 1 3 3 GLN C C 3 173.000 173.000 175.982 -2.982 25588 9 1 1 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.435 -3.525 25588 10 1 1 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.564 -2.414 25588 11 1 1 . 1 1 3 3 GLN H H 3 8.321 8.321 8.615 -0.294 25588 12 1 1 . 1 1 4 4 LEU N N 4 123.200 123.200 121.489 1.711 25588 13 1 1 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.866 -0.216 25588 14 1 1 . 1 1 4 4 LEU C C 4 175.100 175.100 175.960 -0.860 25588 15 1 1 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.208 -2.418 25588 16 1 1 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.446 -2.586 25588 17 1 1 . 1 1 4 4 LEU H H 4 8.268 8.268 7.640 0.628 25588 18 1 1 . 1 1 5 5 THR N N 5 113.000 113.000 115.964 -2.964 25588 19 1 1 . 1 1 5 5 THR HA H 5 4.754 4.754 4.663 0.091 25588 20 1 1 . 1 1 5 5 THR C C 5 172.800 172.800 174.790 -1.990 25588 21 1 1 . 1 1 5 5 THR CA C 5 57.880 57.880 59.906 -2.026 25588 22 1 1 . 1 1 5 5 THR CB C 5 68.480 68.480 71.966 -3.486 25588 23 1 1 . 1 1 5 5 THR H H 5 8.682 8.682 8.452 0.230 25588 24 1 1 . 1 1 6 6 GLU N N 6 120.500 120.500 122.536 -2.036 25588 25 1 1 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.013 -0.050 25588 26 1 1 . 1 1 6 6 GLU C C 6 176.800 176.800 178.312 -1.512 25588 27 1 1 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.782 -2.352 25588 28 1 1 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.719 -3.199 25588 29 1 1 . 1 1 6 6 GLU H H 6 8.990 8.990 8.995 -0.005 25588 30 1 1 . 1 1 7 7 GLU N N 7 119.600 119.600 118.890 0.710 25588 31 1 1 . 1 1 7 7 GLU HA H 7 4.069 4.069 3.966 0.103 25588 32 1 1 . 1 1 7 7 GLU C C 7 176.500 176.500 179.059 -2.559 25588 33 1 1 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.428 -2.047 25588 34 1 1 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.274 -2.844 25588 35 1 1 . 1 1 7 7 GLU H H 7 8.668 8.668 8.585 0.083 25588 36 1 1 . 1 1 8 8 GLN N N 8 120.100 120.100 117.992 2.108 25588 37 1 1 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.049 -0.180 25588 38 1 1 . 1 1 8 8 GLN C C 8 175.700 175.700 178.789 -3.089 25588 39 1 1 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.826 -2.876 25588 40 1 1 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.681 -1.871 25588 41 1 1 . 1 1 8 8 GLN H H 8 7.721 7.721 7.594 0.127 25588 42 1 1 . 1 1 9 9 ILE N N 9 119.600 119.600 119.043 0.557 25588 43 1 1 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.949 -0.237 25588 44 1 1 . 1 1 9 9 ILE C C 9 175.100 175.100 177.838 -2.738 25588 45 1 1 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.297 -0.767 25588 46 1 1 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.767 -2.687 25588 47 1 1 . 1 1 9 9 ILE H H 9 8.373 8.373 7.293 1.079 25588 48 1 1 . 1 1 10 10 ALA N N 10 121.300 121.300 122.261 -0.961 25588 49 1 1 . 1 1 10 10 ALA C C 10 178.400 178.400 179.263 -0.863 25588 50 1 1 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.233 -2.443 25588 51 1 1 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.916 -2.555 25588 52 1 1 . 1 1 10 10 ALA H H 10 7.984 7.984 8.268 -0.284 25588 53 1 1 . 1 1 11 11 GLU N N 11 119.500 119.500 119.234 0.266 25588 54 1 1 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.858 0.289 25588 55 1 1 . 1 1 11 11 GLU C C 11 177.900 177.900 179.055 -1.155 25588 56 1 1 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.167 -2.498 25588 57 1 1 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.166 -2.666 25588 58 1 1 . 1 1 11 11 GLU H H 11 7.779 7.779 7.748 0.031 25588 59 1 1 . 1 1 12 12 PHE N N 12 120.200 120.200 118.150 2.050 25588 60 1 1 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.309 0.711 25588 61 1 1 . 1 1 12 12 PHE C C 12 176.100 176.100 177.906 -1.806 25588 62 1 1 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.099 -4.489 25588 63 1 1 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.810 -3.530 25588 64 1 1 . 1 1 12 12 PHE H H 12 8.562 8.562 7.703 0.859 25588 65 1 1 . 1 1 13 13 LYS N N 13 123.500 123.500 120.059 3.441 25588 66 1 1 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.072 -0.083 25588 67 1 1 . 1 1 13 13 LYS C C 13 176.700 176.700 179.119 -2.419 25588 68 1 1 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.774 -2.254 25588 69 1 1 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.399 -3.089 25588 70 1 1 . 1 1 13 13 LYS H H 13 9.161 9.161 7.538 1.623 25588 71 1 1 . 1 1 14 14 GLU N N 14 120.400 120.400 118.339 2.061 25588 72 1 1 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.160 -0.035 25588 73 1 1 . 1 1 14 14 GLU C C 14 176.800 176.800 179.017 -2.217 25588 74 1 1 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.814 -2.084 25588 75 1 1 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.413 -2.813 25588 76 1 1 . 1 1 14 14 GLU H H 14 7.786 7.786 8.407 -0.621 25588 77 1 1 . 1 1 15 15 ALA N N 15 122.600 122.600 121.800 0.800 25588 78 1 1 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.945 0.338 25588 79 1 1 . 1 1 15 15 ALA C C 15 176.400 176.400 179.196 -2.796 25588 80 1 1 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.830 -2.240 25588 81 1 1 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.094 -2.554 25588 82 1 1 . 1 1 15 15 ALA H H 15 7.981 7.981 8.021 -0.040 25588 83 1 1 . 1 1 16 16 PHE N N 16 119.400 119.400 118.086 1.314 25588 84 1 1 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.497 -1.291 25588 85 1 1 . 1 1 16 16 PHE C C 16 174.600 174.600 177.360 -2.760 25588 86 1 1 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.877 -2.517 25588 87 1 1 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.332 -2.292 25588 88 1 1 . 1 1 16 16 PHE H H 16 8.796 8.796 7.701 1.095 25588 89 1 1 . 1 1 17 17 SER N N 17 112.600 112.600 114.536 -1.936 25588 90 1 1 . 1 1 17 17 SER HA H 17 4.028 4.028 4.370 -0.342 25588 91 1 1 . 1 1 17 17 SER C C 17 172.400 172.400 175.907 -3.507 25588 92 1 1 . 1 1 17 17 SER CA C 17 58.820 58.820 61.286 -2.466 25588 93 1 1 . 1 1 17 17 SER CB C 17 60.680 60.680 63.351 -2.671 25588 94 1 1 . 1 1 17 17 SER H H 17 7.898 7.898 7.923 -0.025 25588 95 1 1 . 1 1 18 18 LEU N N 18 121.000 121.000 123.830 -2.830 25588 96 1 1 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.915 0.080 25588 97 1 1 . 1 1 18 18 LEU C C 18 175.300 175.300 177.650 -2.350 25588 98 1 1 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.753 -3.263 25588 99 1 1 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.405 -2.535 25588 100 1 1 . 1 1 18 18 LEU H H 18 7.426 7.426 7.354 0.072 25588 101 1 1 . 1 1 19 19 PHE N N 19 115.200 115.200 115.562 -0.362 25588 102 1 1 . 1 1 19 19 PHE C C 19 174.100 174.100 178.143 -4.043 25588 103 1 1 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.542 -4.902 25588 104 1 1 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.296 -0.046 25588 105 1 1 . 1 1 19 19 PHE H H 19 7.309 7.309 7.444 -0.135 25588 106 1 1 . 1 1 20 20 ASP N N 20 117.700 117.700 118.629 -0.929 25588 107 1 1 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.550 -0.010 25588 108 1 1 . 1 1 20 20 ASP C C 20 174.500 174.500 178.204 -3.704 25588 109 1 1 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.687 -4.967 25588 110 1 1 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.881 -4.681 25588 111 1 1 . 1 1 20 20 ASP H H 20 7.814 7.814 7.780 0.034 25588 112 1 1 . 1 1 21 21 LYS N N 21 124.400 124.400 119.212 5.188 25588 113 1 1 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.917 0.037 25588 114 1 1 . 1 1 21 21 LYS C C 21 175.500 175.500 177.668 -2.168 25588 115 1 1 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.033 -3.143 25588 116 1 1 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.269 -2.209 25588 117 1 1 . 1 1 21 21 LYS H H 21 7.652 7.652 7.764 -0.112 25588 118 1 1 . 1 1 22 22 ASP N N 22 113.900 113.900 117.034 -3.134 25588 119 1 1 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.386 0.199 25588 120 1 1 . 1 1 22 22 ASP C C 22 175.000 175.000 177.090 -2.090 25588 121 1 1 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.713 -5.583 25588 122 1 1 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.962 -4.053 25588 123 1 1 . 1 1 22 22 ASP H H 22 8.056 8.056 7.730 0.326 25588 124 1 1 . 1 1 23 23 GLY N N 23 109.200 109.200 108.921 0.279 25588 125 1 1 . 1 1 23 23 GLY C C 23 172.300 172.300 173.723 -1.423 25588 126 1 1 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.496 0.094 25588 127 1 1 . 1 1 23 23 GLY H H 23 7.660 7.660 7.663 -0.003 25588 128 1 1 . 1 1 24 24 ASP N N 24 118.600 118.600 118.038 0.562 25588 129 1 1 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.551 0.066 25588 130 1 1 . 1 1 24 24 ASP C C 24 174.200 174.200 175.733 -1.533 25588 131 1 1 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.313 -5.343 25588 132 1 1 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.007 -5.917 25588 133 1 1 . 1 1 24 24 ASP H H 24 8.052 8.052 8.416 -0.364 25588 134 1 1 . 1 1 25 25 GLY N N 25 113.400 113.400 107.678 5.722 25588 135 1 1 . 1 1 25 25 GLY C C 25 170.600 170.600 173.126 -2.526 25588 136 1 1 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.908 -1.748 25588 137 1 1 . 1 1 25 25 GLY H H 25 10.570 10.570 7.941 2.629 25588 138 1 1 . 1 1 26 26 THR N N 26 109.100 109.100 117.449 -8.349 25588 139 1 1 . 1 1 26 26 THR HA H 26 5.271 5.271 4.421 0.850 25588 140 1 1 . 1 1 26 26 THR C C 26 170.200 170.200 172.673 -2.473 25588 141 1 1 . 1 1 26 26 THR CA C 26 57.170 57.170 62.071 -4.901 25588 142 1 1 . 1 1 26 26 THR CB C 26 69.920 69.920 72.436 -2.515 25588 143 1 1 . 1 1 26 26 THR H H 26 7.661 7.661 8.124 -0.463 25588 144 1 1 . 1 1 27 27 ILE N N 27 127.100 127.100 127.057 0.043 25588 145 1 1 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.620 0.351 25588 146 1 1 . 1 1 27 27 ILE C C 27 173.400 173.400 174.850 -1.450 25588 147 1 1 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.983 -2.163 25588 148 1 1 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.244 -2.524 25588 149 1 1 . 1 1 27 27 ILE H H 27 9.766 9.766 8.163 1.603 25588 150 1 1 . 1 1 28 28 THR N N 28 116.500 116.500 117.521 -1.021 25588 151 1 1 . 1 1 28 28 THR HA H 28 4.802 4.802 4.990 -0.188 25588 152 1 1 . 1 1 28 28 THR C C 28 173.900 173.900 176.043 -2.143 25588 153 1 1 . 1 1 28 28 THR CA C 28 56.980 56.980 59.464 -2.484 25588 154 1 1 . 1 1 28 28 THR CB C 28 69.730 69.730 72.063 -2.333 25588 155 1 1 . 1 1 28 28 THR H H 28 8.458 8.458 8.373 0.085 25588 156 1 1 . 1 1 29 29 THR N N 29 112.900 112.900 112.919 -0.019 25588 157 1 1 . 1 1 29 29 THR HA H 29 4.169 4.169 4.018 0.151 25588 158 1 1 . 1 1 29 29 THR C C 29 174.500 174.500 176.429 -1.929 25588 159 1 1 . 1 1 29 29 THR CA C 29 63.940 63.940 66.234 -2.294 25588 160 1 1 . 1 1 29 29 THR CB C 29 65.170 65.170 68.562 -3.392 25588 161 1 1 . 1 1 29 29 THR H H 29 9.066 9.066 8.733 0.333 25588 162 1 1 . 1 1 30 30 LYS N N 30 120.800 120.800 121.923 -1.123 25588 163 1 1 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.991 0.120 25588 164 1 1 . 1 1 30 30 LYS C C 30 177.200 177.200 179.024 -1.824 25588 165 1 1 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.410 -2.880 25588 166 1 1 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.211 -2.251 25588 167 1 1 . 1 1 30 30 LYS H H 30 7.664 7.664 7.698 -0.034 25588 168 1 1 . 1 1 31 31 GLU N N 31 121.400 121.400 119.189 2.211 25588 169 1 1 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.009 0.056 25588 170 1 1 . 1 1 31 31 GLU C C 31 176.500 176.500 179.193 -2.693 25588 171 1 1 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.071 -2.491 25588 172 1 1 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.751 -2.591 25588 173 1 1 . 1 1 31 31 GLU H H 31 7.635 7.635 7.466 0.169 25588 174 1 1 . 1 1 32 32 LEU N N 32 120.600 120.600 121.022 -0.422 25588 175 1 1 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.333 -0.251 25588 176 1 1 . 1 1 32 32 LEU C C 32 176.300 176.300 178.937 -2.637 25588 177 1 1 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.424 -2.014 25588 178 1 1 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.866 -1.896 25588 179 1 1 . 1 1 32 32 LEU H H 32 8.699 8.699 7.705 0.994 25588 180 1 1 . 1 1 33 33 GLY N N 33 105.600 105.600 104.689 0.911 25588 181 1 1 . 1 1 33 33 GLY C C 33 172.500 172.500 176.056 -3.556 25588 182 1 1 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.494 -1.774 25588 183 1 1 . 1 1 33 33 GLY H H 33 8.616 8.616 8.811 -0.195 25588 184 1 1 . 1 1 34 34 THR N N 34 118.000 118.000 119.212 -1.212 25588 185 1 1 . 1 1 34 34 THR HA H 34 3.913 3.913 3.981 -0.068 25588 186 1 1 . 1 1 34 34 THR C C 34 174.500 174.500 176.372 -1.872 25588 187 1 1 . 1 1 34 34 THR CA C 34 64.250 64.250 66.606 -2.356 25588 188 1 1 . 1 1 34 34 THR CB C 34 66.100 66.100 68.590 -2.490 25588 189 1 1 . 1 1 34 34 THR H H 34 7.867 7.867 7.325 0.542 25588 190 1 1 . 1 1 35 35 VAL N N 35 122.100 122.100 121.334 0.766 25588 191 1 1 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.635 -0.177 25588 192 1 1 . 1 1 35 35 VAL C C 35 176.500 176.500 177.320 -0.820 25588 193 1 1 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.969 -2.339 25588 194 1 1 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.223 -3.103 25588 195 1 1 . 1 1 35 35 VAL H H 35 7.613 7.613 7.732 -0.119 25588 196 1 1 . 1 1 36 36 MET N N 36 118.400 118.400 117.569 0.831 25588 197 1 1 . 1 1 36 36 MET HA H 36 4.095 4.095 4.040 0.055 25588 198 1 1 . 1 1 36 36 MET C C 36 176.500 176.500 177.799 -1.299 25588 199 1 1 . 1 1 36 36 MET CA C 36 56.420 56.420 57.604 -1.184 25588 200 1 1 . 1 1 36 36 MET H H 36 8.440 8.440 7.502 0.938 25588 201 1 1 . 1 1 37 37 ARG N N 37 119.000 119.000 118.141 0.859 25588 202 1 1 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.037 0.764 25588 203 1 1 . 1 1 37 37 ARG C C 37 178.500 178.500 179.359 -0.859 25588 204 1 1 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.322 -2.902 25588 205 1 1 . 1 1 37 37 ARG H H 37 8.474 8.474 8.066 0.408 25588 206 1 1 . 1 1 38 38 SER N N 38 118.800 118.800 115.113 3.687 25588 207 1 1 . 1 1 38 38 SER HA H 38 4.380 4.380 4.265 0.115 25588 208 1 1 . 1 1 38 38 SER C C 38 172.200 172.200 175.629 -3.429 25588 209 1 1 . 1 1 38 38 SER CA C 38 58.930 58.930 61.545 -2.615 25588 210 1 1 . 1 1 38 38 SER CB C 38 60.200 60.200 62.791 -2.591 25588 211 1 1 . 1 1 38 38 SER H H 38 7.899 7.899 8.009 -0.110 25588 212 1 1 . 1 1 39 39 LEU N N 39 120.600 120.600 118.232 2.368 25588 213 1 1 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.623 -0.128 25588 214 1 1 . 1 1 39 39 LEU C C 39 174.800 174.800 177.585 -2.785 25588 215 1 1 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.973 -2.043 25588 216 1 1 . 1 1 39 39 LEU H H 39 7.364 7.364 7.373 -0.009 25588 217 1 1 . 1 1 40 40 GLY N N 40 106.800 106.800 109.421 -2.621 25588 218 1 1 . 1 1 40 40 GLY C C 40 171.700 171.700 174.367 -2.667 25588 219 1 1 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.629 -3.659 25588 220 1 1 . 1 1 40 40 GLY H H 40 7.862 7.862 8.008 -0.146 25588 221 1 1 . 1 1 41 41 GLN N N 41 118.400 118.400 122.524 -4.124 25588 222 1 1 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.427 0.053 25588 223 1 1 . 1 1 41 41 GLN C C 41 171.400 171.400 173.443 -2.043 25588 224 1 1 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.294 -3.404 25588 225 1 1 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.261 -3.181 25588 226 1 1 . 1 1 41 41 GLN H H 41 7.788 7.788 8.571 -0.783 25588 227 1 1 . 1 1 42 42 ASN N N 42 116.300 116.300 123.081 -6.781 25588 228 1 1 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.385 -0.192 25588 229 1 1 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.589 -0.969 25588 230 1 1 . 1 1 42 42 ASN H H 42 8.665 8.665 8.179 0.486 25588 231 1 1 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.085 0.650 25588 232 1 1 . 1 1 43 43 PRO C C 43 175.100 175.100 178.157 -3.057 25588 233 1 1 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.555 -5.774 25588 234 1 1 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.652 -2.262 25588 235 1 1 . 1 1 44 44 THR N N 44 112.900 112.900 113.088 -0.188 25588 236 1 1 . 1 1 44 44 THR HA H 44 4.707 4.707 3.958 0.749 25588 237 1 1 . 1 1 44 44 THR C C 44 172.600 172.600 176.832 -4.232 25588 238 1 1 . 1 1 44 44 THR CA C 44 57.830 57.830 66.650 -8.820 25588 239 1 1 . 1 1 44 44 THR CB C 44 68.490 68.490 68.339 0.151 25588 240 1 1 . 1 1 44 44 THR H H 44 8.702 8.702 7.888 0.814 25588 241 1 1 . 1 1 45 45 GLU N N 45 120.800 120.800 120.275 0.525 25588 242 1 1 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.294 -0.319 25588 243 1 1 . 1 1 45 45 GLU C C 45 176.300 176.300 178.453 -2.153 25588 244 1 1 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.389 -0.929 25588 245 1 1 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.529 -3.109 25588 246 1 1 . 1 1 45 45 GLU H H 45 8.789 8.789 8.480 0.309 25588 247 1 1 . 1 1 46 46 ALA N N 46 120.700 120.700 123.782 -3.082 25588 248 1 1 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.050 0.039 25588 249 1 1 . 1 1 46 46 ALA C C 46 177.700 177.700 179.741 -2.041 25588 250 1 1 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.336 -2.926 25588 251 1 1 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.919 -2.269 25588 252 1 1 . 1 1 46 46 ALA H H 46 8.241 8.241 8.271 -0.030 25588 253 1 1 . 1 1 47 47 GLU N N 47 118.900 118.900 118.080 0.820 25588 254 1 1 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.145 -0.143 25588 255 1 1 . 1 1 47 47 GLU C C 47 177.500 177.500 179.253 -1.753 25588 256 1 1 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.825 -2.416 25588 257 1 1 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.673 -2.613 25588 258 1 1 . 1 1 47 47 GLU H H 47 7.682 7.682 7.881 -0.200 25588 259 1 1 . 1 1 48 48 LEU N N 48 120.600 120.600 120.306 0.294 25588 260 1 1 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.010 0.051 25588 261 1 1 . 1 1 48 48 LEU C C 48 175.900 175.900 178.793 -2.893 25588 262 1 1 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.069 -1.800 25588 263 1 1 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.692 -1.952 25588 264 1 1 . 1 1 48 48 LEU H H 48 8.169 8.169 7.479 0.690 25588 265 1 1 . 1 1 49 49 GLN N N 49 118.200 118.200 119.542 -1.342 25588 266 1 1 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.831 -0.004 25588 267 1 1 . 1 1 49 49 GLN C C 49 175.900 175.900 177.557 -1.657 25588 268 1 1 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.233 -3.263 25588 269 1 1 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.758 -2.238 25588 270 1 1 . 1 1 49 49 GLN H H 49 8.179 8.179 8.691 -0.512 25588 271 1 1 . 1 1 50 50 ASP N N 50 119.900 119.900 118.935 0.965 25588 272 1 1 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.423 -0.040 25588 273 1 1 . 1 1 50 50 ASP C C 50 175.900 175.900 178.255 -2.355 25588 274 1 1 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.663 -1.713 25588 275 1 1 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.547 -2.757 25588 276 1 1 . 1 1 50 50 ASP H H 50 8.037 8.037 7.746 0.291 25588 277 1 1 . 1 1 51 51 MET N N 51 119.300 119.300 120.590 -1.290 25588 278 1 1 . 1 1 51 51 MET HA H 51 4.028 4.028 4.120 -0.092 25588 279 1 1 . 1 1 51 51 MET C C 51 176.200 176.200 178.349 -2.149 25588 280 1 1 . 1 1 51 51 MET CA C 51 56.710 56.710 59.095 -2.385 25588 281 1 1 . 1 1 51 51 MET CB C 51 30.570 30.570 32.759 -2.189 25588 282 1 1 . 1 1 51 51 MET H H 51 7.855 7.855 7.256 0.599 25588 283 1 1 . 1 1 52 52 ILE N N 52 118.200 118.200 119.663 -1.463 25588 284 1 1 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.489 0.000 25588 285 1 1 . 1 1 52 52 ILE C C 52 175.100 175.100 177.967 -2.867 25588 286 1 1 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.692 -3.472 25588 287 1 1 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.594 1.736 25588 288 1 1 . 1 1 52 52 ILE H H 52 7.701 7.701 8.853 -1.152 25588 289 1 1 . 1 1 53 53 ASN N N 53 117.700 117.700 117.537 0.163 25588 290 1 1 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.402 -0.041 25588 291 1 1 . 1 1 53 53 ASN C C 53 174.800 174.800 177.705 -2.905 25588 292 1 1 . 1 1 53 53 ASN CA C 53 53.290 53.290 55.951 -2.661 25588 293 1 1 . 1 1 53 53 ASN CB C 53 35.440 35.440 37.797 -2.357 25588 294 1 1 . 1 1 53 53 ASN H H 53 8.529 8.529 7.927 0.602 25588 295 1 1 . 1 1 54 54 GLU N N 54 116.400 116.400 120.611 -4.211 25588 296 1 1 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.058 -0.037 25588 297 1 1 . 1 1 54 54 GLU C C 54 175.000 175.000 179.007 -4.007 25588 298 1 1 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.416 -3.176 25588 299 1 1 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.738 -1.908 25588 300 1 1 . 1 1 54 54 GLU H H 54 7.573 7.573 7.978 -0.405 25588 301 1 1 . 1 1 55 55 VAL N N 55 108.400 108.400 118.681 -10.281 25588 302 1 1 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.866 0.580 25588 303 1 1 . 1 1 55 55 VAL C C 55 173.100 173.100 177.600 -4.500 25588 304 1 1 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.174 -7.083 25588 305 1 1 . 1 1 55 55 VAL H H 55 7.204 7.204 7.737 -0.533 25588 306 1 1 . 1 1 56 56 ASP N N 56 126.900 126.900 119.419 7.481 25588 307 1 1 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.525 0.113 25588 308 1 1 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.962 -3.912 25588 309 1 1 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.931 -3.451 25588 310 1 1 . 1 1 56 56 ASP H H 56 7.649 7.649 8.197 -0.548 25588 311 1 1 . 1 1 57 57 ALA N N 57 131.900 131.900 121.144 10.756 25588 312 1 1 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.187 -0.005 25588 313 1 1 . 1 1 57 57 ALA C C 57 176.000 176.000 177.719 -1.719 25588 314 1 1 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.230 -1.540 25588 315 1 1 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.107 -1.206 25588 316 1 1 . 1 1 57 57 ALA H H 57 8.458 8.458 7.913 0.545 25588 317 1 1 . 1 1 58 58 ASP N N 58 113.800 113.800 118.554 -4.754 25588 318 1 1 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.417 0.194 25588 319 1 1 . 1 1 58 58 ASP C C 58 175.200 175.200 177.098 -1.898 25588 320 1 1 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.471 -5.431 25588 321 1 1 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.687 -3.487 25588 322 1 1 . 1 1 58 58 ASP H H 58 8.125 8.125 7.658 0.467 25588 323 1 1 . 1 1 59 59 GLY N N 59 108.400 108.400 105.966 2.434 25588 324 1 1 . 1 1 59 59 GLY C C 59 172.500 172.500 173.381 -0.881 25588 325 1 1 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.205 -0.545 25588 326 1 1 . 1 1 59 59 GLY H H 59 7.550 7.550 7.792 -0.242 25588 327 1 1 . 1 1 60 60 ASN N N 60 120.600 120.600 116.739 3.861 25588 328 1 1 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.707 -0.220 25588 329 1 1 . 1 1 60 60 ASN C C 60 174.800 174.800 174.774 0.026 25588 330 1 1 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.704 -1.524 25588 331 1 1 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.140 -1.300 25588 332 1 1 . 1 1 60 60 ASN H H 60 8.356 8.356 8.181 0.175 25588 333 1 1 . 1 1 61 61 GLY N N 61 113.300 113.300 106.374 6.926 25588 334 1 1 . 1 1 61 61 GLY C C 61 171.100 171.100 173.806 -2.706 25588 335 1 1 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.753 -2.923 25588 336 1 1 . 1 1 61 61 GLY H H 61 10.610 10.610 8.725 1.885 25588 337 1 1 . 1 1 62 62 THR N N 62 112.900 112.900 112.067 0.833 25588 338 1 1 . 1 1 62 62 THR HA H 62 4.756 4.756 4.994 -0.238 25588 339 1 1 . 1 1 62 62 THR C C 62 170.500 170.500 173.313 -2.813 25588 340 1 1 . 1 1 62 62 THR CA C 62 57.050 57.050 59.749 -2.700 25588 341 1 1 . 1 1 62 62 THR CB C 62 69.100 69.100 72.164 -3.064 25588 342 1 1 . 1 1 62 62 THR H H 62 8.111 8.111 7.746 0.365 25588 343 1 1 . 1 1 63 63 ILE N N 63 123.900 123.900 123.547 0.353 25588 344 1 1 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.328 0.824 25588 345 1 1 . 1 1 63 63 ILE C C 63 172.900 172.900 174.389 -1.489 25588 346 1 1 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.316 -2.956 25588 347 1 1 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.609 -4.749 25588 348 1 1 . 1 1 63 63 ILE H H 63 8.905 8.905 8.974 -0.069 25588 349 1 1 . 1 1 64 64 ASP N N 64 128.200 128.200 126.316 1.884 25588 350 1 1 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.686 0.656 25588 351 1 1 . 1 1 64 64 ASP C C 64 173.700 173.700 176.963 -3.263 25588 352 1 1 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.760 -5.290 25588 353 1 1 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.685 -2.035 25588 354 1 1 . 1 1 64 64 ASP H H 64 8.778 8.778 8.643 0.135 25588 355 1 1 . 1 1 65 65 PHE N N 65 118.700 118.700 120.498 -1.798 25588 356 1 1 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.229 -2.209 25588 357 1 1 . 1 1 65 65 PHE H H 65 8.903 8.903 8.996 -0.093 25588 358 1 1 . 1 1 66 66 PRO C C 66 177.400 177.400 178.885 -1.485 25588 359 1 1 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.162 -2.202 25588 360 1 1 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.411 -3.351 25588 361 1 1 . 1 1 67 67 GLU N N 67 117.600 117.600 116.880 0.720 25588 362 1 1 . 1 1 67 67 GLU C C 67 176.100 176.100 178.612 -2.512 25588 363 1 1 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.319 -2.249 25588 364 1 1 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.316 -2.566 25588 365 1 1 . 1 1 67 67 GLU H H 67 7.894 7.894 8.689 -0.795 25588 366 1 1 . 1 1 68 68 PHE N N 68 123.500 123.500 123.016 0.484 25588 367 1 1 . 1 1 68 68 PHE C C 68 174.400 174.400 176.593 -2.193 25588 368 1 1 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.706 -3.096 25588 369 1 1 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.927 -1.407 25588 370 1 1 . 1 1 68 68 PHE H H 68 8.826 8.826 8.042 0.784 25588 371 1 1 . 1 1 69 69 LEU N N 69 119.000 119.000 118.112 0.888 25588 372 1 1 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.785 -0.451 25588 373 1 1 . 1 1 69 69 LEU C C 69 176.600 176.600 179.085 -2.485 25588 374 1 1 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.209 -2.859 25588 375 1 1 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.540 -3.360 25588 376 1 1 . 1 1 69 69 LEU H H 69 8.321 8.321 8.185 0.136 25588 377 1 1 . 1 1 70 70 THR N N 70 115.500 115.500 115.337 0.163 25588 378 1 1 . 1 1 70 70 THR HA H 70 4.317 4.317 3.911 0.406 25588 379 1 1 . 1 1 70 70 THR C C 70 173.400 173.400 176.263 -2.863 25588 380 1 1 . 1 1 70 70 THR CA C 70 63.720 63.720 66.764 -3.044 25588 381 1 1 . 1 1 70 70 THR CB C 70 65.630 65.630 68.521 -2.891 25588 382 1 1 . 1 1 70 70 THR H H 70 7.476 7.476 7.593 -0.117 25588 383 1 1 . 1 1 71 71 MET N N 71 121.700 121.700 121.522 0.178 25588 384 1 1 . 1 1 71 71 MET HA H 71 3.758 3.758 3.989 -0.231 25588 385 1 1 . 1 1 71 71 MET C C 71 175.600 175.600 177.767 -2.167 25588 386 1 1 . 1 1 71 71 MET CA C 71 56.370 56.370 59.345 -2.975 25588 387 1 1 . 1 1 71 71 MET CB C 71 30.590 30.590 32.593 -2.002 25588 388 1 1 . 1 1 71 71 MET H H 71 7.774 7.774 8.355 -0.581 25588 389 1 1 . 1 1 72 72 MET N N 72 116.900 116.900 117.099 -0.199 25588 390 1 1 . 1 1 72 72 MET HA H 72 3.993 3.993 3.997 -0.004 25588 391 1 1 . 1 1 72 72 MET C C 72 175.900 175.900 178.433 -2.533 25588 392 1 1 . 1 1 72 72 MET CA C 72 53.200 53.200 57.143 -3.943 25588 393 1 1 . 1 1 72 72 MET CB C 72 28.520 28.520 30.774 -2.254 25588 394 1 1 . 1 1 72 72 MET H H 72 8.082 8.082 8.129 -0.047 25588 395 1 1 . 1 1 73 73 ALA N N 73 122.300 122.300 123.267 -0.967 25588 396 1 1 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.949 0.125 25588 397 1 1 . 1 1 73 73 ALA C C 73 177.200 177.200 179.310 -2.110 25588 398 1 1 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.092 -3.122 25588 399 1 1 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.385 -2.645 25588 400 1 1 . 1 1 73 73 ALA H H 73 8.149 8.149 8.226 -0.077 25588 401 1 1 . 1 1 74 74 ARG N N 74 116.600 116.600 117.087 -0.487 25588 402 1 1 . 1 1 74 74 ARG C C 74 175.200 175.200 178.661 -3.461 25588 403 1 1 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.783 -3.223 25588 404 1 1 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.242 -2.592 25588 405 1 1 . 1 1 74 74 ARG H H 74 7.564 7.564 7.823 -0.259 25588 406 1 1 . 1 1 75 75 LYS N N 75 118.800 118.800 117.258 1.542 25588 407 1 1 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.148 0.047 25588 408 1 1 . 1 1 75 75 LYS C C 75 175.100 175.100 177.561 -2.461 25588 409 1 1 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.661 -2.931 25588 410 1 1 . 1 1 75 75 LYS H H 75 7.668 7.668 8.063 -0.395 25588 411 1 1 . 1 1 76 76 MET N N 76 118.300 118.300 118.247 0.053 25588 412 1 1 . 1 1 76 76 MET HA H 76 4.331 4.331 4.577 -0.246 25588 413 1 1 . 1 1 76 76 MET C C 76 173.900 173.900 174.751 -0.851 25588 414 1 1 . 1 1 76 76 MET CA C 76 54.010 54.010 52.818 1.192 25588 415 1 1 . 1 1 76 76 MET H H 76 7.861 7.861 8.220 -0.359 25588 416 1 1 . 1 1 77 77 LYS N N 77 120.200 120.200 124.051 -3.851 25588 417 1 1 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.316 -0.018 25588 418 1 1 . 1 1 77 77 LYS C C 77 173.800 173.800 176.938 -3.138 25588 419 1 1 . 1 1 77 77 LYS CA C 77 54.070 54.070 56.120 -2.050 25588 420 1 1 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.636 -3.266 25588 421 1 1 . 1 1 77 77 LYS H H 77 7.797 7.797 8.429 -0.632 25588 422 1 1 . 1 1 78 78 ASP N N 78 121.400 121.400 124.339 -2.939 25588 423 1 1 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.391 0.282 25588 424 1 1 . 1 1 78 78 ASP C C 78 173.900 173.900 177.577 -3.677 25588 425 1 1 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.170 -3.270 25588 426 1 1 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.463 -2.953 25588 427 1 1 . 1 1 78 78 ASP H H 78 8.191 8.191 8.614 -0.423 25588 428 1 1 . 1 1 79 79 THR N N 79 114.600 114.600 109.725 4.875 25588 429 1 1 . 1 1 79 79 THR HA H 79 4.263 4.263 4.089 0.174 25588 430 1 1 . 1 1 79 79 THR C C 79 171.900 171.900 175.444 -3.544 25588 431 1 1 . 1 1 79 79 THR CA C 79 59.510 59.510 65.028 -5.518 25588 432 1 1 . 1 1 79 79 THR CB C 79 67.090 67.090 68.704 -1.614 25588 433 1 1 . 1 1 79 79 THR H H 79 8.063 8.063 8.379 -0.316 25588 434 1 1 . 1 1 80 80 ASP N N 80 123.100 123.100 122.388 0.712 25588 435 1 1 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.551 0.161 25588 436 1 1 . 1 1 80 80 ASP C C 80 173.900 173.900 178.191 -4.291 25588 437 1 1 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.505 -4.605 25588 438 1 1 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.526 -0.856 25588 439 1 1 . 1 1 80 80 ASP H H 80 8.423 8.423 8.652 -0.229 25588 440 1 1 . 1 1 81 81 SER N N 81 116.900 116.900 115.832 1.068 25588 441 1 1 . 1 1 81 81 SER HA H 81 4.498 4.498 4.184 0.314 25588 442 1 1 . 1 1 81 81 SER C C 81 172.700 172.700 175.771 -3.071 25588 443 1 1 . 1 1 81 81 SER CA C 81 56.360 56.360 60.870 -4.510 25588 444 1 1 . 1 1 81 81 SER CB C 81 61.310 61.310 62.728 -1.418 25588 445 1 1 . 1 1 81 81 SER H H 81 8.357 8.357 7.706 0.651 25588 446 1 1 . 1 1 82 82 GLU N N 82 122.800 122.800 122.754 0.046 25588 447 1 1 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.811 0.317 25588 448 1 1 . 1 1 82 82 GLU C C 82 175.300 175.300 178.604 -3.304 25588 449 1 1 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.709 -3.438 25588 450 1 1 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.471 -2.721 25588 451 1 1 . 1 1 82 82 GLU H H 82 8.532 8.532 7.813 0.719 25588 452 1 1 . 1 1 83 83 GLU N N 83 119.400 119.400 117.231 2.169 25588 453 1 1 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.137 -0.103 25588 454 1 1 . 1 1 83 83 GLU C C 83 176.000 176.000 178.999 -2.999 25588 455 1 1 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.889 -1.819 25588 456 1 1 . 1 1 83 83 GLU H H 83 8.365 8.365 7.698 0.667 25588 457 1 1 . 1 1 84 84 GLU N N 84 118.700 118.700 119.515 -0.815 25588 458 1 1 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.124 0.023 25588 459 1 1 . 1 1 84 84 GLU C C 84 177.000 177.000 179.357 -2.357 25588 460 1 1 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.646 -1.976 25588 461 1 1 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.594 -2.794 25588 462 1 1 . 1 1 84 84 GLU H H 84 8.073 8.073 7.482 0.591 25588 463 1 1 . 1 1 85 85 ILE N N 85 122.200 122.200 119.528 2.672 25588 464 1 1 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.631 0.363 25588 465 1 1 . 1 1 85 85 ILE C C 85 175.300 175.300 177.635 -2.335 25588 466 1 1 . 1 1 85 85 ILE CA C 85 62.130 62.130 63.907 -1.777 25588 467 1 1 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.322 -2.822 25588 468 1 1 . 1 1 85 85 ILE H H 85 8.043 8.043 8.762 -0.719 25588 469 1 1 . 1 1 86 86 ARG N N 86 121.700 121.700 120.078 1.622 25588 470 1 1 . 1 1 86 86 ARG C C 86 176.700 176.700 178.960 -2.260 25588 471 1 1 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.879 -2.519 25588 472 1 1 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.746 -2.696 25588 473 1 1 . 1 1 86 86 ARG H H 86 8.415 8.415 7.774 0.641 25588 474 1 1 . 1 1 87 87 GLU N N 87 118.600 118.600 119.628 -1.028 25588 475 1 1 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.159 -0.050 25588 476 1 1 . 1 1 87 87 GLU C C 87 175.900 175.900 177.790 -1.890 25588 477 1 1 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.865 -2.435 25588 478 1 1 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.320 -2.771 25588 479 1 1 . 1 1 87 87 GLU H H 87 8.056 8.056 7.833 0.223 25588 480 1 1 . 1 1 88 88 ALA N N 88 122.000 122.000 120.895 1.105 25588 481 1 1 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.219 -0.001 25588 482 1 1 . 1 1 88 88 ALA C C 88 176.600 176.600 179.134 -2.534 25588 483 1 1 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.053 -1.603 25588 484 1 1 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.053 -2.753 25588 485 1 1 . 1 1 88 88 ALA H H 88 7.934 7.934 7.477 0.457 25588 486 1 1 . 1 1 89 89 PHE N N 89 118.900 118.900 120.679 -1.779 25588 487 1 1 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.203 -1.052 25588 488 1 1 . 1 1 89 89 PHE C C 89 173.800 173.800 177.287 -3.487 25588 489 1 1 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.689 -2.189 25588 490 1 1 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.076 -2.706 25588 491 1 1 . 1 1 89 89 PHE H H 89 8.537 8.537 7.864 0.673 25588 492 1 1 . 1 1 90 90 ARG N N 90 115.600 115.600 118.838 -3.238 25588 493 1 1 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.726 0.138 25588 494 1 1 . 1 1 90 90 ARG C C 90 175.500 175.500 177.956 -2.456 25588 495 1 1 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.266 -3.156 25588 496 1 1 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.109 -2.459 25588 497 1 1 . 1 1 90 90 ARG H H 90 7.656 7.656 7.835 -0.179 25588 498 1 1 . 1 1 91 91 VAL N N 91 118.300 118.300 118.067 0.233 25588 499 1 1 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.771 -0.284 25588 500 1 1 . 1 1 91 91 VAL C C 91 174.700 174.700 178.382 -3.682 25588 501 1 1 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.933 -2.922 25588 502 1 1 . 1 1 91 91 VAL H H 91 7.496 7.496 7.419 0.077 25588 503 1 1 . 1 1 92 92 PHE N N 92 116.300 116.300 119.399 -3.099 25588 504 1 1 . 1 1 92 92 PHE C C 92 174.300 174.300 176.038 -1.738 25588 505 1 1 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.854 -3.444 25588 506 1 1 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.612 -1.992 25588 507 1 1 . 1 1 92 92 PHE H H 92 7.460 7.460 8.631 -1.171 25588 508 1 1 . 1 1 93 93 ASP N N 93 116.900 116.900 117.975 -1.075 25588 509 1 1 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.722 -0.218 25588 510 1 1 . 1 1 93 93 ASP C C 93 174.900 174.900 175.672 -0.772 25588 511 1 1 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.543 -3.003 25588 512 1 1 . 1 1 93 93 ASP H H 93 7.821 7.821 8.119 -0.298 25588 513 1 1 . 1 1 94 94 LYS N N 94 125.900 125.900 123.801 2.099 25588 514 1 1 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.108 -0.220 25588 515 1 1 . 1 1 94 94 LYS C C 94 175.700 175.700 177.517 -1.817 25588 516 1 1 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.451 -2.041 25588 517 1 1 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.647 -2.477 25588 518 1 1 . 1 1 94 94 LYS H H 94 7.689 7.689 8.237 -0.548 25588 519 1 1 . 1 1 95 95 ASP N N 95 114.000 114.000 116.997 -2.997 25588 520 1 1 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.377 0.177 25588 521 1 1 . 1 1 95 95 ASP C C 95 175.100 175.100 177.912 -2.812 25588 522 1 1 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.555 -5.235 25588 523 1 1 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.128 -3.138 25588 524 1 1 . 1 1 95 95 ASP H H 95 8.179 8.179 8.205 -0.026 25588 525 1 1 . 1 1 96 96 GLY N N 96 109.300 109.300 109.864 -0.564 25588 526 1 1 . 1 1 96 96 GLY C C 96 172.500 172.500 175.638 -3.138 25588 527 1 1 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.642 -2.142 25588 528 1 1 . 1 1 96 96 GLY H H 96 7.765 7.765 8.407 -0.642 25588 529 1 1 . 1 1 97 97 ASN N N 97 119.600 119.600 122.975 -3.375 25588 530 1 1 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.604 0.040 25588 531 1 1 . 1 1 97 97 ASN C C 97 173.400 173.400 174.936 -1.536 25588 532 1 1 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.034 -3.964 25588 533 1 1 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.929 -3.409 25588 534 1 1 . 1 1 97 97 ASN H H 97 8.302 8.302 8.548 -0.246 25588 535 1 1 . 1 1 98 98 GLY N N 98 113.000 113.000 105.487 7.513 25588 536 1 1 . 1 1 98 98 GLY C C 98 169.800 169.800 171.957 -2.157 25588 537 1 1 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.538 -1.028 25588 538 1 1 . 1 1 98 98 GLY H H 98 10.620 10.620 7.390 3.230 25588 539 1 1 . 1 1 99 99 TYR N N 99 115.900 115.900 117.133 -1.233 25588 540 1 1 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.838 0.198 25588 541 1 1 . 1 1 99 99 TYR C C 99 171.900 171.900 175.694 -3.794 25588 542 1 1 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.171 -2.781 25588 543 1 1 . 1 1 99 99 TYR CB C 99 40.530 40.530 40.779 -0.249 25588 544 1 1 . 1 1 99 99 TYR H H 99 7.597 7.597 7.731 -0.134 25588 545 1 1 . 1 1 100 100 ILE N N 100 127.400 127.400 122.883 4.517 25588 546 1 1 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.232 0.547 25588 547 1 1 . 1 1 100 100 ILE C C 100 172.900 172.900 176.497 -3.597 25588 548 1 1 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.645 -3.985 25588 549 1 1 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.529 -2.579 25588 550 1 1 . 1 1 100 100 ILE H H 100 10.120 10.120 8.390 1.730 25588 551 1 1 . 1 1 101 101 SER N N 101 123.800 123.800 123.016 0.784 25588 552 1 1 . 1 1 101 101 SER C C 101 172.600 172.600 175.764 -3.164 25588 553 1 1 . 1 1 101 101 SER CA C 101 53.180 53.180 56.817 -3.637 25588 554 1 1 . 1 1 101 101 SER CB C 101 63.970 63.970 65.589 -1.619 25588 555 1 1 . 1 1 101 101 SER H H 101 8.944 8.944 8.201 0.743 25588 556 1 1 . 1 1 102 102 ALA N N 102 122.900 122.900 124.032 -1.132 25588 557 1 1 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.056 -0.142 25588 558 1 1 . 1 1 102 102 ALA C C 102 176.700 176.700 179.060 -2.360 25588 559 1 1 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.275 -1.975 25588 560 1 1 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.242 -2.792 25588 561 1 1 . 1 1 102 102 ALA H H 102 9.178 9.178 9.067 0.111 25588 562 1 1 . 1 1 103 103 ALA N N 103 118.400 118.400 121.816 -3.416 25588 563 1 1 . 1 1 103 103 ALA C C 103 178.700 178.700 179.861 -1.161 25588 564 1 1 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.883 -2.333 25588 565 1 1 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.314 -2.434 25588 566 1 1 . 1 1 103 103 ALA H H 103 8.205 8.205 7.856 0.349 25588 567 1 1 . 1 1 104 104 GLU N N 104 119.700 119.700 118.567 1.133 25588 568 1 1 . 1 1 104 104 GLU C C 104 176.600 176.600 178.994 -2.394 25588 569 1 1 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.909 -2.269 25588 570 1 1 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.636 -2.996 25588 571 1 1 . 1 1 104 104 GLU H H 104 7.835 7.835 7.722 0.113 25588 572 1 1 . 1 1 105 105 LEU N N 105 121.000 121.000 121.262 -0.262 25588 573 1 1 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.053 0.046 25588 574 1 1 . 1 1 105 105 LEU C C 105 175.800 175.800 178.111 -2.311 25588 575 1 1 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.904 -2.244 25588 576 1 1 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.947 -7.386 25588 577 1 1 . 1 1 105 105 LEU H H 105 8.571 8.571 8.212 0.359 25588 578 1 1 . 1 1 106 106 ARG N N 106 117.500 117.500 118.814 -1.314 25588 579 1 1 . 1 1 106 106 ARG C C 106 176.000 176.000 178.092 -2.092 25588 580 1 1 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.096 -2.866 25588 581 1 1 . 1 1 106 106 ARG H H 106 8.522 8.522 7.891 0.631 25588 582 1 1 . 1 1 107 107 HIS N N 107 119.000 119.000 118.061 0.939 25588 583 1 1 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.320 -0.034 25588 584 1 1 . 1 1 107 107 HIS C C 107 174.900 174.900 177.600 -2.700 25588 585 1 1 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.705 -2.615 25588 586 1 1 . 1 1 107 107 HIS H H 107 7.889 7.889 7.743 0.146 25588 587 1 1 . 1 1 108 108 VAL N N 108 118.900 118.900 119.680 -0.780 25588 588 1 1 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.646 -0.161 25588 589 1 1 . 1 1 108 108 VAL C C 108 175.400 175.400 178.153 -2.753 25588 590 1 1 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.424 -2.904 25588 591 1 1 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.454 -2.254 25588 592 1 1 . 1 1 108 108 VAL H H 108 7.958 7.958 7.504 0.454 25588 593 1 1 . 1 1 109 109 MET N N 109 116.400 116.400 118.152 -1.752 25588 594 1 1 . 1 1 109 109 MET HA H 109 4.331 4.331 4.213 0.118 25588 595 1 1 . 1 1 109 109 MET C C 109 176.000 176.000 178.786 -2.786 25588 596 1 1 . 1 1 109 109 MET CA C 109 54.910 54.910 57.764 -2.854 25588 597 1 1 . 1 1 109 109 MET CB C 109 28.750 28.750 31.211 -2.461 25588 598 1 1 . 1 1 109 109 MET H H 109 8.247 8.247 8.476 -0.229 25588 599 1 1 . 1 1 110 110 THR N N 110 114.900 114.900 115.594 -0.694 25588 600 1 1 . 1 1 110 110 THR HA H 110 4.152 4.152 4.240 -0.088 25588 601 1 1 . 1 1 110 110 THR C C 110 175.000 175.000 175.963 -0.963 25588 602 1 1 . 1 1 110 110 THR CA C 110 63.270 63.270 65.858 -2.588 25588 603 1 1 . 1 1 110 110 THR CB C 110 66.230 66.230 68.387 -2.157 25588 604 1 1 . 1 1 110 110 THR H H 110 8.125 8.125 8.192 -0.067 25588 605 1 1 . 1 1 111 111 ASN N N 111 122.200 122.200 117.917 4.283 25588 606 1 1 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.458 -0.021 25588 607 1 1 . 1 1 111 111 ASN C C 111 173.700 173.700 177.589 -3.889 25588 608 1 1 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.240 -2.170 25588 609 1 1 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.461 -2.640 25588 610 1 1 . 1 1 111 111 ASN H H 111 7.867 7.867 7.493 0.374 25588 611 1 1 . 1 1 112 112 LEU N N 112 119.100 119.100 119.103 -0.003 25588 612 1 1 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.102 0.231 25588 613 1 1 . 1 1 112 112 LEU C C 112 174.700 174.700 176.906 -2.206 25588 614 1 1 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.562 -3.802 25588 615 1 1 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.699 -3.249 25588 616 1 1 . 1 1 112 112 LEU H H 112 7.850 7.850 7.301 0.549 25588 617 1 1 . 1 1 113 113 GLY N N 113 106.800 106.800 103.988 2.812 25588 618 1 1 . 1 1 113 113 GLY C C 113 171.700 171.700 172.171 -0.471 25588 619 1 1 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.061 -2.271 25588 620 1 1 . 1 1 113 113 GLY H H 113 7.830 7.830 7.472 0.358 25588 621 1 1 . 1 1 114 114 GLU N N 114 120.600 120.600 119.214 1.386 25588 622 1 1 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.650 -0.250 25588 623 1 1 . 1 1 114 114 GLU C C 114 172.800 172.800 177.181 -4.381 25588 624 1 1 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.070 -3.400 25588 625 1 1 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.519 -2.559 25588 626 1 1 . 1 1 114 114 GLU H H 114 7.914 7.914 8.683 -0.769 25588 627 1 1 . 1 1 115 115 LYS N N 115 124.000 124.000 120.101 3.899 25588 628 1 1 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.143 0.214 25588 629 1 1 . 1 1 115 115 LYS C C 115 173.000 173.000 176.626 -3.626 25588 630 1 1 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.330 -5.310 25588 631 1 1 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.736 -3.326 25588 632 1 1 . 1 1 115 115 LYS H H 115 8.505 8.505 8.415 0.090 25588 633 1 1 . 1 1 116 116 LEU N N 116 125.000 125.000 117.198 7.802 25588 634 1 1 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.658 0.101 25588 635 1 1 . 1 1 116 116 LEU C C 116 175.300 175.300 176.809 -1.509 25588 636 1 1 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.214 -1.794 25588 637 1 1 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.687 -1.577 25588 638 1 1 . 1 1 116 116 LEU H H 116 8.076 8.076 7.701 0.375 25588 639 1 1 . 1 1 117 117 THR N N 117 114.500 114.500 109.921 4.579 25588 640 1 1 . 1 1 117 117 THR HA H 117 4.453 4.453 4.272 0.181 25588 641 1 1 . 1 1 117 117 THR C C 117 172.800 172.800 174.269 -1.469 25588 642 1 1 . 1 1 117 117 THR CA C 117 57.970 57.970 61.663 -3.693 25588 643 1 1 . 1 1 117 117 THR CB C 117 68.610 68.610 69.957 -1.347 25588 644 1 1 . 1 1 117 117 THR H H 117 9.116 9.116 8.216 0.900 25588 645 1 1 . 1 1 118 118 ASP N N 118 121.000 121.000 119.484 1.516 25588 646 1 1 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.622 -0.426 25588 647 1 1 . 1 1 118 118 ASP C C 118 175.900 175.900 177.680 -1.780 25588 648 1 1 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.609 -1.249 25588 649 1 1 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.959 -3.849 25588 650 1 1 . 1 1 118 118 ASP H H 118 8.847 8.847 8.664 0.183 25588 651 1 1 . 1 1 119 119 GLU N N 119 119.100 119.100 119.675 -0.575 25588 652 1 1 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.418 -0.348 25588 653 1 1 . 1 1 119 119 GLU C C 119 176.500 176.500 177.537 -1.037 25588 654 1 1 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.715 -1.435 25588 655 1 1 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.593 -3.163 25588 656 1 1 . 1 1 119 119 GLU H H 119 8.626 8.626 8.477 0.149 25588 657 1 1 . 1 1 120 120 GLU N N 120 120.500 120.500 118.539 1.961 25588 658 1 1 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.063 -0.073 25588 659 1 1 . 1 1 120 120 GLU C C 120 177.400 177.400 178.686 -1.286 25588 660 1 1 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.401 -2.811 25588 661 1 1 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.111 -0.321 25588 662 1 1 . 1 1 120 120 GLU H H 120 7.724 7.724 8.892 -1.168 25588 663 1 1 . 1 1 121 121 VAL N N 121 121.100 121.100 115.273 5.827 25588 664 1 1 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.837 -0.250 25588 665 1 1 . 1 1 121 121 VAL C C 121 174.600 174.600 177.605 -3.005 25588 666 1 1 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.385 -1.075 25588 667 1 1 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.058 -2.678 25588 668 1 1 . 1 1 121 121 VAL H H 121 8.062 8.062 7.860 0.202 25588 669 1 1 . 1 1 122 122 ASP N N 122 119.600 119.600 121.375 -1.775 25588 670 1 1 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.349 -0.040 25588 671 1 1 . 1 1 122 122 ASP C C 122 176.500 176.500 178.074 -1.574 25588 672 1 1 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.267 -2.267 25588 673 1 1 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.296 -2.396 25588 674 1 1 . 1 1 122 122 ASP H H 122 8.007 8.007 7.925 0.082 25588 675 1 1 . 1 1 123 123 GLU N N 123 119.300 119.300 117.409 1.891 25588 676 1 1 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.290 -0.292 25588 677 1 1 . 1 1 123 123 GLU C C 123 175.400 175.400 178.256 -2.856 25588 678 1 1 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.836 -1.176 25588 679 1 1 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.384 -3.594 25588 680 1 1 . 1 1 123 123 GLU H H 123 7.967 7.967 8.245 -0.278 25588 681 1 1 . 1 1 124 124 MET N N 124 119.600 119.600 120.700 -1.100 25588 682 1 1 . 1 1 124 124 MET HA H 124 4.033 4.033 4.191 -0.158 25588 683 1 1 . 1 1 124 124 MET C C 124 176.500 176.500 178.356 -1.856 25588 684 1 1 . 1 1 124 124 MET CA C 124 56.970 56.970 58.235 -1.265 25588 685 1 1 . 1 1 124 124 MET CB C 124 30.470 30.470 32.501 -2.031 25588 686 1 1 . 1 1 124 124 MET H H 124 7.789 7.789 8.388 -0.599 25588 687 1 1 . 1 1 125 125 ILE N N 125 118.500 118.500 116.730 1.770 25588 688 1 1 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.758 -0.259 25588 689 1 1 . 1 1 125 125 ILE C C 125 174.600 174.600 177.458 -2.858 25588 690 1 1 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.675 -2.485 25588 691 1 1 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.436 -3.926 25588 692 1 1 . 1 1 125 125 ILE H H 125 7.940 7.940 7.975 -0.035 25588 693 1 1 . 1 1 126 126 ARG N N 126 118.300 118.300 119.734 -1.434 25588 694 1 1 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.059 -0.051 25588 695 1 1 . 1 1 126 126 ARG C C 126 176.800 176.800 178.328 -1.528 25588 696 1 1 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.414 -2.314 25588 697 1 1 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.389 -2.819 25588 698 1 1 . 1 1 126 126 ARG H H 126 8.168 8.168 7.337 0.831 25588 699 1 1 . 1 1 127 127 GLU N N 127 116.300 116.300 119.399 -3.099 25588 700 1 1 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.207 -0.224 25588 701 1 1 . 1 1 127 127 GLU C C 127 174.700 174.700 177.480 -2.780 25588 702 1 1 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.201 -2.321 25588 703 1 1 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.575 -2.635 25588 704 1 1 . 1 1 127 127 GLU H H 127 7.918 7.918 7.816 0.102 25588 705 1 1 . 1 1 128 128 ALA N N 128 119.100 119.100 120.284 -1.184 25588 706 1 1 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.171 0.247 25588 707 1 1 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.754 -4.244 25588 708 1 1 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.852 -0.112 25588 709 1 1 . 1 1 128 128 ALA H H 128 7.354 7.354 7.602 -0.248 25588 710 1 1 . 1 1 129 129 ASP N N 129 117.400 117.400 117.462 -0.062 25588 711 1 1 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.642 -0.140 25588 712 1 1 . 1 1 129 129 ASP C C 129 173.400 173.400 177.132 -3.732 25588 713 1 1 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.028 -1.618 25588 714 1 1 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.035 -4.335 25588 715 1 1 . 1 1 129 129 ASP H H 129 7.871 7.871 7.665 0.206 25588 716 1 1 . 1 1 130 130 ILE N N 130 128.000 128.000 121.656 6.344 25588 717 1 1 . 1 1 130 130 ILE HA H 130 3.917 3.917 3.920 -0.003 25588 718 1 1 . 1 1 130 130 ILE C C 130 175.300 175.300 176.714 -1.414 25588 719 1 1 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.914 -2.204 25588 720 1 1 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.498 -1.688 25588 721 1 1 . 1 1 130 130 ILE H H 130 8.384 8.384 8.481 -0.097 25588 722 1 1 . 1 1 131 131 ASP N N 131 116.800 116.800 119.966 -3.166 25588 723 1 1 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.475 0.075 25588 724 1 1 . 1 1 131 131 ASP C C 131 175.600 175.600 177.554 -1.954 25588 725 1 1 . 1 1 131 131 ASP CA C 131 51.220 51.220 55.836 -4.616 25588 726 1 1 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.295 -4.065 25588 727 1 1 . 1 1 131 131 ASP H H 131 8.281 8.281 7.937 0.344 25588 728 1 1 . 1 1 132 132 GLY N N 132 108.500 108.500 107.443 1.057 25588 729 1 1 . 1 1 132 132 GLY C C 132 172.600 172.600 175.154 -2.554 25588 730 1 1 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.062 -1.212 25588 731 1 1 . 1 1 132 132 GLY H H 132 7.575 7.575 8.262 -0.687 25588 732 1 1 . 1 1 133 133 ASP N N 133 120.800 120.800 119.481 1.319 25588 733 1 1 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.583 -0.119 25588 734 1 1 . 1 1 133 133 ASP C C 133 174.900 174.900 177.124 -2.224 25588 735 1 1 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.022 -2.032 25588 736 1 1 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.925 -3.335 25588 737 1 1 . 1 1 133 133 ASP H H 133 8.326 8.326 7.739 0.587 25588 738 1 1 . 1 1 134 134 GLY N N 134 112.900 112.900 109.442 3.458 25588 739 1 1 . 1 1 134 134 GLY C C 134 170.200 170.200 172.508 -2.308 25588 740 1 1 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.548 -2.498 25588 741 1 1 . 1 1 134 134 GLY H H 134 10.310 10.310 7.818 2.492 25588 742 1 1 . 1 1 135 135 GLN N N 135 115.400 115.400 120.745 -5.345 25588 743 1 1 . 1 1 135 135 GLN HA H 135 4.860 4.860 5.212 -0.352 25588 744 1 1 . 1 1 135 135 GLN C C 135 172.100 172.100 173.638 -1.538 25588 745 1 1 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.179 -3.649 25588 746 1 1 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.885 -2.865 25588 747 1 1 . 1 1 135 135 GLN H H 135 7.937 7.937 8.052 -0.115 25588 748 1 1 . 1 1 136 136 VAL N N 136 125.500 125.500 122.537 2.963 25588 749 1 1 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.659 0.531 25588 750 1 1 . 1 1 136 136 VAL C C 136 173.200 173.200 174.479 -1.279 25588 751 1 1 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.598 -1.498 25588 752 1 1 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.803 -3.883 25588 753 1 1 . 1 1 136 136 VAL H H 136 9.112 9.112 8.676 0.436 25588 754 1 1 . 1 1 137 137 ASN N N 137 129.000 129.000 122.621 6.379 25588 755 1 1 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.277 -0.045 25588 756 1 1 . 1 1 137 137 ASN C C 137 172.200 172.200 174.852 -2.652 25588 757 1 1 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.861 -3.401 25588 758 1 1 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.816 -6.126 25588 759 1 1 . 1 1 137 137 ASN H H 137 9.509 9.509 8.235 1.274 25588 760 1 1 . 1 1 138 138 TYR N N 138 118.400 118.400 123.033 -4.633 25588 761 1 1 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.310 -0.886 25588 762 1 1 . 1 1 138 138 TYR C C 138 173.500 173.500 177.145 -3.645 25588 763 1 1 . 1 1 138 138 TYR CA C 138 60.030 60.030 63.014 -2.984 25588 764 1 1 . 1 1 138 138 TYR H H 138 8.420 8.420 9.313 -0.893 25588 765 1 1 . 1 1 139 139 GLU N N 139 118.400 118.400 118.330 0.070 25588 766 1 1 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.902 -0.261 25588 767 1 1 . 1 1 139 139 GLU C C 139 177.900 177.900 179.053 -1.153 25588 768 1 1 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.081 -2.341 25588 769 1 1 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.774 -2.384 25588 770 1 1 . 1 1 139 139 GLU H H 139 8.066 8.066 8.957 -0.891 25588 771 1 1 . 1 1 140 140 GLU N N 140 119.900 119.900 119.403 0.497 25588 772 1 1 . 1 1 140 140 GLU C C 140 176.700 176.700 178.738 -2.038 25588 773 1 1 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.646 -2.746 25588 774 1 1 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.262 -2.062 25588 775 1 1 . 1 1 140 140 GLU H H 140 8.728 8.728 8.407 0.321 25588 776 1 1 . 1 1 141 141 PHE N N 141 124.600 124.600 120.766 3.834 25588 777 1 1 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.092 -0.108 25588 778 1 1 . 1 1 141 141 PHE C C 141 174.200 174.200 177.480 -3.280 25588 779 1 1 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.213 -3.253 25588 780 1 1 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.700 -1.430 25588 781 1 1 . 1 1 141 141 PHE H H 141 8.920 8.920 8.429 0.491 25588 782 1 1 . 1 1 142 142 VAL N N 142 119.300 119.300 117.863 1.437 25588 783 1 1 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.488 -0.367 25588 784 1 1 . 1 1 142 142 VAL C C 142 176.900 176.900 177.441 -0.541 25588 785 1 1 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.530 -2.100 25588 786 1 1 . 1 1 142 142 VAL H H 142 8.536 8.536 7.259 1.277 25588 787 1 1 . 1 1 143 143 GLN N N 143 118.200 118.200 117.534 0.666 25588 788 1 1 . 1 1 143 143 GLN HA H 143 3.851 3.851 3.991 -0.140 25588 789 1 1 . 1 1 143 143 GLN C C 143 175.300 175.300 178.881 -3.581 25588 790 1 1 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.951 -1.691 25588 791 1 1 . 1 1 143 143 GLN H H 143 7.404 7.404 7.426 -0.022 25588 792 1 1 . 1 1 144 144 MET N N 144 119.400 119.400 118.990 0.410 25588 793 1 1 . 1 1 144 144 MET HA H 144 4.107 4.107 4.163 -0.056 25588 794 1 1 . 1 1 144 144 MET C C 144 175.400 175.400 176.536 -1.136 25588 795 1 1 . 1 1 144 144 MET CA C 144 55.500 55.500 58.177 -2.677 25588 796 1 1 . 1 1 144 144 MET CB C 144 30.460 30.460 33.285 -2.825 25588 797 1 1 . 1 1 144 144 MET H H 144 7.878 7.878 7.878 -0.000 25588 798 1 1 . 1 1 145 145 MET N N 145 115.000 115.000 117.008 -2.008 25588 799 1 1 . 1 1 145 145 MET HA H 145 4.281 4.281 4.645 -0.364 25588 800 1 1 . 1 1 145 145 MET C C 145 174.900 174.900 174.744 0.156 25588 801 1 1 . 1 1 145 145 MET CA C 145 52.740 52.740 55.279 -2.539 25588 802 1 1 . 1 1 145 145 MET H H 145 7.852 7.852 7.426 0.426 25588 803 1 1 . 1 1 146 146 THR N N 146 111.100 111.100 117.381 -6.281 25588 804 1 1 . 1 1 146 146 THR HA H 146 4.306 4.306 4.441 -0.135 25588 805 1 1 . 1 1 146 146 THR C C 146 171.600 171.600 173.516 -1.916 25588 806 1 1 . 1 1 146 146 THR CA C 146 59.830 59.830 61.623 -1.792 25588 807 1 1 . 1 1 146 146 THR CB C 146 67.510 67.510 69.221 -1.711 25588 808 1 1 . 1 1 146 146 THR H H 146 7.571 7.571 8.406 -0.835 25588 809 1 1 . 1 1 147 147 ALA N N 147 126.300 126.300 126.621 -0.321 25588 810 1 1 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.094 0.206 25588 811 1 1 . 1 1 147 147 ALA C C 147 174.000 174.000 176.528 -2.528 25588 812 1 1 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.072 -3.882 25588 813 1 1 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.481 -3.001 25588 814 1 1 . 1 1 147 147 ALA H H 147 7.723 7.723 7.803 -0.080 25588 815 1 2 . 1 1 2 2 ASP N N 2 118.400 118.400 122.176 -3.776 25588 816 1 2 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.790 -0.176 25588 817 1 2 . 1 1 2 2 ASP C C 2 173.000 173.000 176.059 -3.059 25588 818 1 2 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.018 -1.998 25588 819 1 2 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.417 -2.597 25588 820 1 2 . 1 1 2 2 ASP H H 2 8.311 8.311 8.424 -0.113 25588 821 1 2 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.199 0.155 25588 822 1 2 . 1 1 3 3 GLN C C 3 173.000 173.000 175.744 -2.744 25588 823 1 2 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.027 -3.117 25588 824 1 2 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.497 -2.347 25588 825 1 2 . 1 1 3 3 GLN H H 3 8.321 8.321 8.597 -0.276 25588 826 1 2 . 1 1 4 4 LEU N N 4 123.200 123.200 120.847 2.353 25588 827 1 2 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.805 -0.155 25588 828 1 2 . 1 1 4 4 LEU C C 4 175.100 175.100 175.497 -0.397 25588 829 1 2 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.046 -2.256 25588 830 1 2 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.308 -2.448 25588 831 1 2 . 1 1 4 4 LEU H H 4 8.268 8.268 8.122 0.146 25588 832 1 2 . 1 1 5 5 THR N N 5 113.000 113.000 116.938 -3.938 25588 833 1 2 . 1 1 5 5 THR HA H 5 4.754 4.754 4.678 0.076 25588 834 1 2 . 1 1 5 5 THR C C 5 172.800 172.800 174.805 -2.005 25588 835 1 2 . 1 1 5 5 THR CA C 5 57.880 57.880 60.058 -2.178 25588 836 1 2 . 1 1 5 5 THR CB C 5 68.480 68.480 71.602 -3.122 25588 837 1 2 . 1 1 5 5 THR H H 5 8.682 8.682 7.676 1.006 25588 838 1 2 . 1 1 6 6 GLU N N 6 120.500 120.500 121.595 -1.095 25588 839 1 2 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.013 -0.050 25588 840 1 2 . 1 1 6 6 GLU C C 6 176.800 176.800 178.370 -1.570 25588 841 1 2 . 1 1 6 6 GLU CA C 6 57.430 57.430 60.041 -2.611 25588 842 1 2 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.567 -3.047 25588 843 1 2 . 1 1 6 6 GLU H H 6 8.990 8.990 8.888 0.102 25588 844 1 2 . 1 1 7 7 GLU N N 7 119.600 119.600 118.460 1.140 25588 845 1 2 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.005 0.064 25588 846 1 2 . 1 1 7 7 GLU C C 7 176.500 176.500 179.125 -2.625 25588 847 1 2 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.452 -2.072 25588 848 1 2 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.306 -2.876 25588 849 1 2 . 1 1 7 7 GLU H H 7 8.668 8.668 8.618 0.050 25588 850 1 2 . 1 1 8 8 GLN N N 8 120.100 120.100 118.644 1.456 25588 851 1 2 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.031 -0.162 25588 852 1 2 . 1 1 8 8 GLN C C 8 175.700 175.700 178.791 -3.091 25588 853 1 2 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.646 -2.696 25588 854 1 2 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.888 -2.078 25588 855 1 2 . 1 1 8 8 GLN H H 8 7.721 7.721 7.521 0.200 25588 856 1 2 . 1 1 9 9 ILE N N 9 119.600 119.600 120.186 -0.586 25588 857 1 2 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.864 -0.152 25588 858 1 2 . 1 1 9 9 ILE C C 9 175.100 175.100 177.862 -2.762 25588 859 1 2 . 1 1 9 9 ILE CA C 9 63.530 63.530 65.023 -1.493 25588 860 1 2 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.858 -2.777 25588 861 1 2 . 1 1 9 9 ILE H H 9 8.373 8.373 7.757 0.616 25588 862 1 2 . 1 1 10 10 ALA N N 10 121.300 121.300 122.282 -0.982 25588 863 1 2 . 1 1 10 10 ALA C C 10 178.400 178.400 179.285 -0.885 25588 864 1 2 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.437 -2.647 25588 865 1 2 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.942 -2.582 25588 866 1 2 . 1 1 10 10 ALA H H 10 7.984 7.984 8.442 -0.458 25588 867 1 2 . 1 1 11 11 GLU N N 11 119.500 119.500 119.689 -0.189 25588 868 1 2 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.836 0.311 25588 869 1 2 . 1 1 11 11 GLU C C 11 177.900 177.900 179.110 -1.210 25588 870 1 2 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.207 -2.537 25588 871 1 2 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.209 -2.709 25588 872 1 2 . 1 1 11 11 GLU H H 11 7.779 7.779 7.697 0.082 25588 873 1 2 . 1 1 12 12 PHE N N 12 120.200 120.200 118.041 2.159 25588 874 1 2 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.291 0.729 25588 875 1 2 . 1 1 12 12 PHE C C 12 176.100 176.100 177.943 -1.843 25588 876 1 2 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.417 -4.808 25588 877 1 2 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.626 -3.346 25588 878 1 2 . 1 1 12 12 PHE H H 12 8.562 8.562 7.406 1.156 25588 879 1 2 . 1 1 13 13 LYS N N 13 123.500 123.500 120.145 3.355 25588 880 1 2 . 1 1 13 13 LYS HA H 13 3.989 3.989 3.964 0.025 25588 881 1 2 . 1 1 13 13 LYS C C 13 176.700 176.700 178.820 -2.120 25588 882 1 2 . 1 1 13 13 LYS CA C 13 57.520 57.520 60.007 -2.487 25588 883 1 2 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.416 -3.107 25588 884 1 2 . 1 1 13 13 LYS H H 13 9.161 9.161 8.039 1.122 25588 885 1 2 . 1 1 14 14 GLU N N 14 120.400 120.400 118.474 1.926 25588 886 1 2 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.148 -0.023 25588 887 1 2 . 1 1 14 14 GLU C C 14 176.800 176.800 179.024 -2.224 25588 888 1 2 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.809 -2.079 25588 889 1 2 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.410 -2.810 25588 890 1 2 . 1 1 14 14 GLU H H 14 7.786 7.786 8.633 -0.847 25588 891 1 2 . 1 1 15 15 ALA N N 15 122.600 122.600 122.591 0.009 25588 892 1 2 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.907 0.376 25588 893 1 2 . 1 1 15 15 ALA C C 15 176.400 176.400 179.496 -3.096 25588 894 1 2 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.927 -2.337 25588 895 1 2 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.131 -2.591 25588 896 1 2 . 1 1 15 15 ALA H H 15 7.981 7.981 8.362 -0.381 25588 897 1 2 . 1 1 16 16 PHE N N 16 119.400 119.400 118.561 0.839 25588 898 1 2 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.436 -1.230 25588 899 1 2 . 1 1 16 16 PHE C C 16 174.600 174.600 177.382 -2.782 25588 900 1 2 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.356 -1.996 25588 901 1 2 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.345 -2.305 25588 902 1 2 . 1 1 16 16 PHE H H 16 8.796 8.796 8.228 0.568 25588 903 1 2 . 1 1 17 17 SER N N 17 112.600 112.600 114.761 -2.161 25588 904 1 2 . 1 1 17 17 SER HA H 17 4.028 4.028 4.162 -0.134 25588 905 1 2 . 1 1 17 17 SER C C 17 172.400 172.400 176.006 -3.606 25588 906 1 2 . 1 1 17 17 SER CA C 17 58.820 58.820 60.622 -1.802 25588 907 1 2 . 1 1 17 17 SER CB C 17 60.680 60.680 63.370 -2.690 25588 908 1 2 . 1 1 17 17 SER H H 17 7.898 7.898 7.745 0.153 25588 909 1 2 . 1 1 18 18 LEU N N 18 121.000 121.000 123.918 -2.918 25588 910 1 2 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.913 0.082 25588 911 1 2 . 1 1 18 18 LEU C C 18 175.300 175.300 177.548 -2.248 25588 912 1 2 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.410 -2.920 25588 913 1 2 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.276 -2.406 25588 914 1 2 . 1 1 18 18 LEU H H 18 7.426 7.426 7.582 -0.156 25588 915 1 2 . 1 1 19 19 PHE N N 19 115.200 115.200 115.137 0.063 25588 916 1 2 . 1 1 19 19 PHE C C 19 174.100 174.100 178.089 -3.989 25588 917 1 2 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.547 -4.907 25588 918 1 2 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.351 -0.101 25588 919 1 2 . 1 1 19 19 PHE H H 19 7.309 7.309 7.379 -0.070 25588 920 1 2 . 1 1 20 20 ASP N N 20 117.700 117.700 117.842 -0.142 25588 921 1 2 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.555 -0.015 25588 922 1 2 . 1 1 20 20 ASP C C 20 174.500 174.500 178.106 -3.606 25588 923 1 2 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.983 -5.263 25588 924 1 2 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.690 -4.490 25588 925 1 2 . 1 1 20 20 ASP H H 20 7.814 7.814 8.076 -0.262 25588 926 1 2 . 1 1 21 21 LYS N N 21 124.400 124.400 118.951 5.449 25588 927 1 2 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.905 0.049 25588 928 1 2 . 1 1 21 21 LYS C C 21 175.500 175.500 177.763 -2.263 25588 929 1 2 . 1 1 21 21 LYS CA C 21 55.890 55.890 58.840 -2.950 25588 930 1 2 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.230 -2.170 25588 931 1 2 . 1 1 21 21 LYS H H 21 7.652 7.652 7.335 0.317 25588 932 1 2 . 1 1 22 22 ASP N N 22 113.900 113.900 116.671 -2.771 25588 933 1 2 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.382 0.203 25588 934 1 2 . 1 1 22 22 ASP C C 22 175.000 175.000 177.106 -2.106 25588 935 1 2 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.656 -5.526 25588 936 1 2 . 1 1 22 22 ASP CB C 22 36.910 36.910 41.117 -4.207 25588 937 1 2 . 1 1 22 22 ASP H H 22 8.056 8.056 7.732 0.324 25588 938 1 2 . 1 1 23 23 GLY N N 23 109.200 109.200 109.071 0.129 25588 939 1 2 . 1 1 23 23 GLY C C 23 172.300 172.300 173.681 -1.381 25588 940 1 2 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.594 -0.004 25588 941 1 2 . 1 1 23 23 GLY H H 23 7.660 7.660 7.706 -0.046 25588 942 1 2 . 1 1 24 24 ASP N N 24 118.600 118.600 119.406 -0.806 25588 943 1 2 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.468 0.149 25588 944 1 2 . 1 1 24 24 ASP C C 24 174.200 174.200 176.354 -2.154 25588 945 1 2 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.608 -5.638 25588 946 1 2 . 1 1 24 24 ASP CB C 24 35.090 35.090 40.899 -5.809 25588 947 1 2 . 1 1 24 24 ASP H H 24 8.052 8.052 8.441 -0.389 25588 948 1 2 . 1 1 25 25 GLY N N 25 113.400 113.400 108.908 4.492 25588 949 1 2 . 1 1 25 25 GLY C C 25 170.600 170.600 172.950 -2.350 25588 950 1 2 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.338 -2.178 25588 951 1 2 . 1 1 25 25 GLY H H 25 10.570 10.570 8.005 2.565 25588 952 1 2 . 1 1 26 26 THR N N 26 109.100 109.100 117.938 -8.838 25588 953 1 2 . 1 1 26 26 THR HA H 26 5.271 5.271 4.507 0.764 25588 954 1 2 . 1 1 26 26 THR C C 26 170.200 170.200 172.811 -2.611 25588 955 1 2 . 1 1 26 26 THR CA C 26 57.170 57.170 62.202 -5.032 25588 956 1 2 . 1 1 26 26 THR CB C 26 69.920 69.920 72.510 -2.590 25588 957 1 2 . 1 1 26 26 THR H H 26 7.661 7.661 8.223 -0.562 25588 958 1 2 . 1 1 27 27 ILE N N 27 127.100 127.100 126.794 0.306 25588 959 1 2 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.680 0.291 25588 960 1 2 . 1 1 27 27 ILE C C 27 173.400 173.400 174.751 -1.351 25588 961 1 2 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.171 -2.351 25588 962 1 2 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.493 -2.773 25588 963 1 2 . 1 1 27 27 ILE H H 27 9.766 9.766 8.263 1.503 25588 964 1 2 . 1 1 28 28 THR N N 28 116.500 116.500 117.206 -0.706 25588 965 1 2 . 1 1 28 28 THR HA H 28 4.802 4.802 5.001 -0.199 25588 966 1 2 . 1 1 28 28 THR C C 28 173.900 173.900 175.972 -2.072 25588 967 1 2 . 1 1 28 28 THR CA C 28 56.980 56.980 59.609 -2.629 25588 968 1 2 . 1 1 28 28 THR CB C 28 69.730 69.730 72.116 -2.386 25588 969 1 2 . 1 1 28 28 THR H H 28 8.458 8.458 8.380 0.078 25588 970 1 2 . 1 1 29 29 THR N N 29 112.900 112.900 112.989 -0.089 25588 971 1 2 . 1 1 29 29 THR HA H 29 4.169 4.169 4.024 0.145 25588 972 1 2 . 1 1 29 29 THR C C 29 174.500 174.500 176.613 -2.113 25588 973 1 2 . 1 1 29 29 THR CA C 29 63.940 63.940 66.459 -2.519 25588 974 1 2 . 1 1 29 29 THR CB C 29 65.170 65.170 68.553 -3.383 25588 975 1 2 . 1 1 29 29 THR H H 29 9.066 9.066 8.709 0.357 25588 976 1 2 . 1 1 30 30 LYS N N 30 120.800 120.800 121.749 -0.949 25588 977 1 2 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.986 0.125 25588 978 1 2 . 1 1 30 30 LYS C C 30 177.200 177.200 179.066 -1.866 25588 979 1 2 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.425 -2.895 25588 980 1 2 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.282 -2.322 25588 981 1 2 . 1 1 30 30 LYS H H 30 7.664 7.664 7.697 -0.033 25588 982 1 2 . 1 1 31 31 GLU N N 31 121.400 121.400 119.267 2.133 25588 983 1 2 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.044 0.021 25588 984 1 2 . 1 1 31 31 GLU C C 31 176.500 176.500 179.223 -2.723 25588 985 1 2 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.936 -2.356 25588 986 1 2 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.829 -2.669 25588 987 1 2 . 1 1 31 31 GLU H H 31 7.635 7.635 7.477 0.158 25588 988 1 2 . 1 1 32 32 LEU N N 32 120.600 120.600 121.173 -0.573 25588 989 1 2 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.341 -0.259 25588 990 1 2 . 1 1 32 32 LEU C C 32 176.300 176.300 178.976 -2.676 25588 991 1 2 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.405 -1.995 25588 992 1 2 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.944 -1.974 25588 993 1 2 . 1 1 32 32 LEU H H 32 8.699 8.699 7.998 0.701 25588 994 1 2 . 1 1 33 33 GLY N N 33 105.600 105.600 104.225 1.375 25588 995 1 2 . 1 1 33 33 GLY C C 33 172.500 172.500 176.347 -3.847 25588 996 1 2 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.410 -1.690 25588 997 1 2 . 1 1 33 33 GLY H H 33 8.616 8.616 8.871 -0.255 25588 998 1 2 . 1 1 34 34 THR N N 34 118.000 118.000 119.285 -1.285 25588 999 1 2 . 1 1 34 34 THR HA H 34 3.913 3.913 4.017 -0.104 25588 1000 1 2 . 1 1 34 34 THR C C 34 174.500 174.500 176.581 -2.081 25588 1001 1 2 . 1 1 34 34 THR CA C 34 64.250 64.250 66.108 -1.857 25588 1002 1 2 . 1 1 34 34 THR CB C 34 66.100 66.100 68.458 -2.358 25588 1003 1 2 . 1 1 34 34 THR H H 34 7.867 7.867 7.516 0.351 25588 1004 1 2 . 1 1 35 35 VAL N N 35 122.100 122.100 121.482 0.618 25588 1005 1 2 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.671 -0.213 25588 1006 1 2 . 1 1 35 35 VAL C C 35 176.500 176.500 177.310 -0.810 25588 1007 1 2 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.815 -2.185 25588 1008 1 2 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.927 -2.807 25588 1009 1 2 . 1 1 35 35 VAL H H 35 7.613 7.613 7.852 -0.239 25588 1010 1 2 . 1 1 36 36 MET N N 36 118.400 118.400 117.464 0.936 25588 1011 1 2 . 1 1 36 36 MET HA H 36 4.095 4.095 4.051 0.044 25588 1012 1 2 . 1 1 36 36 MET C C 36 176.500 176.500 177.857 -1.357 25588 1013 1 2 . 1 1 36 36 MET CA C 36 56.420 56.420 57.687 -1.267 25588 1014 1 2 . 1 1 36 36 MET H H 36 8.440 8.440 7.434 1.006 25588 1015 1 2 . 1 1 37 37 ARG N N 37 119.000 119.000 117.542 1.458 25588 1016 1 2 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.034 0.767 25588 1017 1 2 . 1 1 37 37 ARG C C 37 178.500 178.500 179.353 -0.853 25588 1018 1 2 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.353 -2.933 25588 1019 1 2 . 1 1 37 37 ARG H H 37 8.474 8.474 8.096 0.378 25588 1020 1 2 . 1 1 38 38 SER N N 38 118.800 118.800 116.062 2.738 25588 1021 1 2 . 1 1 38 38 SER HA H 38 4.380 4.380 4.253 0.127 25588 1022 1 2 . 1 1 38 38 SER C C 38 172.200 172.200 175.954 -3.754 25588 1023 1 2 . 1 1 38 38 SER CA C 38 58.930 58.930 61.245 -2.315 25588 1024 1 2 . 1 1 38 38 SER CB C 38 60.200 60.200 62.390 -2.190 25588 1025 1 2 . 1 1 38 38 SER H H 38 7.899 7.899 7.962 -0.063 25588 1026 1 2 . 1 1 39 39 LEU N N 39 120.600 120.600 118.396 2.204 25588 1027 1 2 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.532 -0.037 25588 1028 1 2 . 1 1 39 39 LEU C C 39 174.800 174.800 177.953 -3.153 25588 1029 1 2 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.394 -2.464 25588 1030 1 2 . 1 1 39 39 LEU H H 39 7.364 7.364 7.487 -0.123 25588 1031 1 2 . 1 1 40 40 GLY N N 40 106.800 106.800 109.098 -2.298 25588 1032 1 2 . 1 1 40 40 GLY C C 40 171.700 171.700 174.351 -2.651 25588 1033 1 2 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.589 -3.619 25588 1034 1 2 . 1 1 40 40 GLY H H 40 7.862 7.862 8.076 -0.214 25588 1035 1 2 . 1 1 41 41 GLN N N 41 118.400 118.400 122.621 -4.221 25588 1036 1 2 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.456 0.024 25588 1037 1 2 . 1 1 41 41 GLN C C 41 171.400 171.400 173.499 -2.099 25588 1038 1 2 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.240 -3.350 25588 1039 1 2 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.274 -3.194 25588 1040 1 2 . 1 1 41 41 GLN H H 41 7.788 7.788 8.587 -0.799 25588 1041 1 2 . 1 1 42 42 ASN N N 42 116.300 116.300 123.951 -7.651 25588 1042 1 2 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.382 -0.189 25588 1043 1 2 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.919 -1.299 25588 1044 1 2 . 1 1 42 42 ASN H H 42 8.665 8.665 8.357 0.308 25588 1045 1 2 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.090 0.645 25588 1046 1 2 . 1 1 43 43 PRO C C 43 175.100 175.100 178.597 -3.497 25588 1047 1 2 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.859 -6.079 25588 1048 1 2 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.704 -2.314 25588 1049 1 2 . 1 1 44 44 THR N N 44 112.900 112.900 112.975 -0.075 25588 1050 1 2 . 1 1 44 44 THR HA H 44 4.707 4.707 3.949 0.758 25588 1051 1 2 . 1 1 44 44 THR C C 44 172.600 172.600 176.823 -4.223 25588 1052 1 2 . 1 1 44 44 THR CA C 44 57.830 57.830 66.604 -8.774 25588 1053 1 2 . 1 1 44 44 THR CB C 44 68.490 68.490 68.327 0.163 25588 1054 1 2 . 1 1 44 44 THR H H 44 8.702 8.702 7.977 0.725 25588 1055 1 2 . 1 1 45 45 GLU N N 45 120.800 120.800 120.186 0.614 25588 1056 1 2 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.290 -0.315 25588 1057 1 2 . 1 1 45 45 GLU C C 45 176.300 176.300 178.470 -2.170 25588 1058 1 2 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.314 -0.854 25588 1059 1 2 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.584 -3.164 25588 1060 1 2 . 1 1 45 45 GLU H H 45 8.789 8.789 8.623 0.166 25588 1061 1 2 . 1 1 46 46 ALA N N 46 120.700 120.700 123.683 -2.983 25588 1062 1 2 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.056 0.033 25588 1063 1 2 . 1 1 46 46 ALA C C 46 177.700 177.700 179.771 -2.071 25588 1064 1 2 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.301 -2.891 25588 1065 1 2 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.931 -2.281 25588 1066 1 2 . 1 1 46 46 ALA H H 46 8.241 8.241 8.220 0.021 25588 1067 1 2 . 1 1 47 47 GLU N N 47 118.900 118.900 117.955 0.945 25588 1068 1 2 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.153 -0.151 25588 1069 1 2 . 1 1 47 47 GLU C C 47 177.500 177.500 179.419 -1.919 25588 1070 1 2 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.740 -2.330 25588 1071 1 2 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.654 -2.594 25588 1072 1 2 . 1 1 47 47 GLU H H 47 7.682 7.682 7.919 -0.237 25588 1073 1 2 . 1 1 48 48 LEU N N 48 120.600 120.600 120.182 0.418 25588 1074 1 2 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.003 0.058 25588 1075 1 2 . 1 1 48 48 LEU C C 48 175.900 175.900 178.699 -2.799 25588 1076 1 2 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.212 -1.942 25588 1077 1 2 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.477 -1.737 25588 1078 1 2 . 1 1 48 48 LEU H H 48 8.169 8.169 7.483 0.686 25588 1079 1 2 . 1 1 49 49 GLN N N 49 118.200 118.200 119.766 -1.566 25588 1080 1 2 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.848 -0.021 25588 1081 1 2 . 1 1 49 49 GLN C C 49 175.900 175.900 178.065 -2.165 25588 1082 1 2 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.225 -3.255 25588 1083 1 2 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.879 -2.359 25588 1084 1 2 . 1 1 49 49 GLN H H 49 8.179 8.179 8.504 -0.325 25588 1085 1 2 . 1 1 50 50 ASP N N 50 119.900 119.900 118.792 1.108 25588 1086 1 2 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.466 -0.083 25588 1087 1 2 . 1 1 50 50 ASP C C 50 175.900 175.900 178.151 -2.251 25588 1088 1 2 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.777 -1.827 25588 1089 1 2 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.792 -3.002 25588 1090 1 2 . 1 1 50 50 ASP H H 50 8.037 8.037 7.610 0.427 25588 1091 1 2 . 1 1 51 51 MET N N 51 119.300 119.300 120.796 -1.496 25588 1092 1 2 . 1 1 51 51 MET HA H 51 4.028 4.028 4.109 -0.081 25588 1093 1 2 . 1 1 51 51 MET C C 51 176.200 176.200 178.273 -2.073 25588 1094 1 2 . 1 1 51 51 MET CA C 51 56.710 56.710 59.181 -2.471 25588 1095 1 2 . 1 1 51 51 MET CB C 51 30.570 30.570 32.749 -2.179 25588 1096 1 2 . 1 1 51 51 MET H H 51 7.855 7.855 7.321 0.534 25588 1097 1 2 . 1 1 52 52 ILE N N 52 118.200 118.200 119.547 -1.347 25588 1098 1 2 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.484 0.005 25588 1099 1 2 . 1 1 52 52 ILE C C 52 175.100 175.100 177.897 -2.797 25588 1100 1 2 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.932 -3.712 25588 1101 1 2 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.751 1.579 25588 1102 1 2 . 1 1 52 52 ILE H H 52 7.701 7.701 8.866 -1.165 25588 1103 1 2 . 1 1 53 53 ASN N N 53 117.700 117.700 117.300 0.400 25588 1104 1 2 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.317 0.044 25588 1105 1 2 . 1 1 53 53 ASN C C 53 174.800 174.800 177.233 -2.433 25588 1106 1 2 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.675 -3.385 25588 1107 1 2 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.449 -3.009 25588 1108 1 2 . 1 1 53 53 ASN H H 53 8.529 8.529 7.837 0.692 25588 1109 1 2 . 1 1 54 54 GLU N N 54 116.400 116.400 120.367 -3.967 25588 1110 1 2 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.991 0.030 25588 1111 1 2 . 1 1 54 54 GLU C C 54 175.000 175.000 177.594 -2.594 25588 1112 1 2 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.225 -2.985 25588 1113 1 2 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.879 -2.049 25588 1114 1 2 . 1 1 54 54 GLU H H 54 7.573 7.573 8.057 -0.484 25588 1115 1 2 . 1 1 55 55 VAL N N 55 108.400 108.400 116.863 -8.463 25588 1116 1 2 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.888 0.558 25588 1117 1 2 . 1 1 55 55 VAL C C 55 173.100 173.100 177.801 -4.701 25588 1118 1 2 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.177 -7.087 25588 1119 1 2 . 1 1 55 55 VAL H H 55 7.204 7.204 7.732 -0.528 25588 1120 1 2 . 1 1 56 56 ASP N N 56 126.900 126.900 120.128 6.772 25588 1121 1 2 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.509 0.129 25588 1122 1 2 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.142 -4.092 25588 1123 1 2 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.797 -3.317 25588 1124 1 2 . 1 1 56 56 ASP H H 56 7.649 7.649 8.302 -0.653 25588 1125 1 2 . 1 1 57 57 ALA N N 57 131.900 131.900 121.102 10.798 25588 1126 1 2 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.227 -0.045 25588 1127 1 2 . 1 1 57 57 ALA C C 57 176.000 176.000 177.778 -1.778 25588 1128 1 2 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.073 -1.383 25588 1129 1 2 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.043 -1.143 25588 1130 1 2 . 1 1 57 57 ALA H H 57 8.458 8.458 7.926 0.532 25588 1131 1 2 . 1 1 58 58 ASP N N 58 113.800 113.800 118.517 -4.717 25588 1132 1 2 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.432 0.179 25588 1133 1 2 . 1 1 58 58 ASP C C 58 175.200 175.200 176.951 -1.751 25588 1134 1 2 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.355 -5.315 25588 1135 1 2 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.708 -3.508 25588 1136 1 2 . 1 1 58 58 ASP H H 58 8.125 8.125 7.645 0.480 25588 1137 1 2 . 1 1 59 59 GLY N N 59 108.400 108.400 106.596 1.804 25588 1138 1 2 . 1 1 59 59 GLY C C 59 172.500 172.500 173.371 -0.871 25588 1139 1 2 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.285 -0.625 25588 1140 1 2 . 1 1 59 59 GLY H H 59 7.550 7.550 7.821 -0.271 25588 1141 1 2 . 1 1 60 60 ASN N N 60 120.600 120.600 117.221 3.379 25588 1142 1 2 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.752 -0.265 25588 1143 1 2 . 1 1 60 60 ASN C C 60 174.800 174.800 174.898 -0.098 25588 1144 1 2 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.554 -1.374 25588 1145 1 2 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.356 -1.516 25588 1146 1 2 . 1 1 60 60 ASN H H 60 8.356 8.356 7.975 0.381 25588 1147 1 2 . 1 1 61 61 GLY N N 61 113.300 113.300 106.688 6.612 25588 1148 1 2 . 1 1 61 61 GLY C C 61 171.100 171.100 173.764 -2.664 25588 1149 1 2 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.823 -2.993 25588 1150 1 2 . 1 1 61 61 GLY H H 61 10.610 10.610 8.734 1.876 25588 1151 1 2 . 1 1 62 62 THR N N 62 112.900 112.900 111.874 1.026 25588 1152 1 2 . 1 1 62 62 THR HA H 62 4.756 4.756 4.924 -0.168 25588 1153 1 2 . 1 1 62 62 THR C C 62 170.500 170.500 173.353 -2.853 25588 1154 1 2 . 1 1 62 62 THR CA C 62 57.050 57.050 59.628 -2.578 25588 1155 1 2 . 1 1 62 62 THR CB C 62 69.100 69.100 72.030 -2.930 25588 1156 1 2 . 1 1 62 62 THR H H 62 8.111 8.111 7.701 0.410 25588 1157 1 2 . 1 1 63 63 ILE N N 63 123.900 123.900 123.784 0.116 25588 1158 1 2 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.274 0.878 25588 1159 1 2 . 1 1 63 63 ILE C C 63 172.900 172.900 174.534 -1.634 25588 1160 1 2 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.344 -2.985 25588 1161 1 2 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.130 -4.270 25588 1162 1 2 . 1 1 63 63 ILE H H 63 8.905 8.905 9.074 -0.169 25588 1163 1 2 . 1 1 64 64 ASP N N 64 128.200 128.200 126.593 1.607 25588 1164 1 2 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.829 0.513 25588 1165 1 2 . 1 1 64 64 ASP C C 64 173.700 173.700 177.160 -3.460 25588 1166 1 2 . 1 1 64 64 ASP CA C 64 49.470 49.470 53.626 -4.156 25588 1167 1 2 . 1 1 64 64 ASP CB C 64 39.650 39.650 42.032 -2.382 25588 1168 1 2 . 1 1 64 64 ASP H H 64 8.778 8.778 8.446 0.332 25588 1169 1 2 . 1 1 65 65 PHE N N 65 118.700 118.700 120.822 -2.122 25588 1170 1 2 . 1 1 65 65 PHE CA C 65 61.020 61.020 64.186 -3.166 25588 1171 1 2 . 1 1 65 65 PHE H H 65 8.903 8.903 9.070 -0.167 25588 1172 1 2 . 1 1 66 66 PRO C C 66 177.400 177.400 178.689 -1.289 25588 1173 1 2 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.528 -2.567 25588 1174 1 2 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.325 -3.265 25588 1175 1 2 . 1 1 67 67 GLU N N 67 117.600 117.600 117.346 0.254 25588 1176 1 2 . 1 1 67 67 GLU C C 67 176.100 176.100 179.014 -2.914 25588 1177 1 2 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.322 -3.252 25588 1178 1 2 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.263 -2.513 25588 1179 1 2 . 1 1 67 67 GLU H H 67 7.894 7.894 8.627 -0.733 25588 1180 1 2 . 1 1 68 68 PHE N N 68 123.500 123.500 122.065 1.435 25588 1181 1 2 . 1 1 68 68 PHE C C 68 174.400 174.400 177.015 -2.615 25588 1182 1 2 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.872 -3.262 25588 1183 1 2 . 1 1 68 68 PHE CB C 68 37.520 37.520 39.009 -1.489 25588 1184 1 2 . 1 1 68 68 PHE H H 68 8.826 8.826 8.074 0.752 25588 1185 1 2 . 1 1 69 69 LEU N N 69 119.000 119.000 118.958 0.042 25588 1186 1 2 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.899 -0.565 25588 1187 1 2 . 1 1 69 69 LEU C C 69 176.600 176.600 179.175 -2.575 25588 1188 1 2 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.383 -3.033 25588 1189 1 2 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.616 -3.436 25588 1190 1 2 . 1 1 69 69 LEU H H 69 8.321 8.321 8.799 -0.478 25588 1191 1 2 . 1 1 70 70 THR N N 70 115.500 115.500 115.169 0.331 25588 1192 1 2 . 1 1 70 70 THR HA H 70 4.317 4.317 3.928 0.389 25588 1193 1 2 . 1 1 70 70 THR C C 70 173.400 173.400 176.389 -2.989 25588 1194 1 2 . 1 1 70 70 THR CA C 70 63.720 63.720 66.740 -3.020 25588 1195 1 2 . 1 1 70 70 THR CB C 70 65.630 65.630 68.614 -2.984 25588 1196 1 2 . 1 1 70 70 THR H H 70 7.476 7.476 7.675 -0.199 25588 1197 1 2 . 1 1 71 71 MET N N 71 121.700 121.700 121.483 0.217 25588 1198 1 2 . 1 1 71 71 MET HA H 71 3.758 3.758 3.965 -0.207 25588 1199 1 2 . 1 1 71 71 MET C C 71 175.600 175.600 177.569 -1.969 25588 1200 1 2 . 1 1 71 71 MET CA C 71 56.370 56.370 59.131 -2.761 25588 1201 1 2 . 1 1 71 71 MET CB C 71 30.590 30.590 32.524 -1.934 25588 1202 1 2 . 1 1 71 71 MET H H 71 7.774 7.774 8.358 -0.584 25588 1203 1 2 . 1 1 72 72 MET N N 72 116.900 116.900 117.488 -0.588 25588 1204 1 2 . 1 1 72 72 MET HA H 72 3.993 3.993 3.948 0.045 25588 1205 1 2 . 1 1 72 72 MET C C 72 175.900 175.900 178.680 -2.780 25588 1206 1 2 . 1 1 72 72 MET CA C 72 53.200 53.200 57.503 -4.303 25588 1207 1 2 . 1 1 72 72 MET CB C 72 28.520 28.520 31.082 -2.562 25588 1208 1 2 . 1 1 72 72 MET H H 72 8.082 8.082 8.230 -0.148 25588 1209 1 2 . 1 1 73 73 ALA N N 73 122.300 122.300 121.621 0.679 25588 1210 1 2 . 1 1 73 73 ALA HA H 73 4.074 4.074 4.011 0.063 25588 1211 1 2 . 1 1 73 73 ALA C C 73 177.200 177.200 179.427 -2.227 25588 1212 1 2 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.872 -2.902 25588 1213 1 2 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.524 -2.784 25588 1214 1 2 . 1 1 73 73 ALA H H 73 8.149 8.149 7.880 0.269 25588 1215 1 2 . 1 1 74 74 ARG N N 74 116.600 116.600 117.618 -1.018 25588 1216 1 2 . 1 1 74 74 ARG C C 74 175.200 175.200 178.397 -3.197 25588 1217 1 2 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.440 -2.880 25588 1218 1 2 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.388 -2.738 25588 1219 1 2 . 1 1 74 74 ARG H H 74 7.564 7.564 7.428 0.136 25588 1220 1 2 . 1 1 75 75 LYS N N 75 118.800 118.800 117.134 1.666 25588 1221 1 2 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.117 0.078 25588 1222 1 2 . 1 1 75 75 LYS C C 75 175.100 175.100 177.472 -2.372 25588 1223 1 2 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.658 -2.928 25588 1224 1 2 . 1 1 75 75 LYS H H 75 7.668 7.668 8.236 -0.568 25588 1225 1 2 . 1 1 76 76 MET N N 76 118.300 118.300 118.108 0.192 25588 1226 1 2 . 1 1 76 76 MET HA H 76 4.331 4.331 4.574 -0.243 25588 1227 1 2 . 1 1 76 76 MET C C 76 173.900 173.900 174.758 -0.858 25588 1228 1 2 . 1 1 76 76 MET CA C 76 54.010 54.010 53.011 0.999 25588 1229 1 2 . 1 1 76 76 MET H H 76 7.861 7.861 7.776 0.085 25588 1230 1 2 . 1 1 77 77 LYS N N 77 120.200 120.200 123.664 -3.464 25588 1231 1 2 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.293 0.005 25588 1232 1 2 . 1 1 77 77 LYS C C 77 173.800 173.800 176.769 -2.969 25588 1233 1 2 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.946 -1.876 25588 1234 1 2 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.769 -3.399 25588 1235 1 2 . 1 1 77 77 LYS H H 77 7.797 7.797 8.454 -0.657 25588 1236 1 2 . 1 1 78 78 ASP N N 78 121.400 121.400 123.700 -2.300 25588 1237 1 2 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.397 0.276 25588 1238 1 2 . 1 1 78 78 ASP C C 78 173.900 173.900 176.999 -3.099 25588 1239 1 2 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.683 -3.783 25588 1240 1 2 . 1 1 78 78 ASP CB C 78 38.510 38.510 40.961 -2.451 25588 1241 1 2 . 1 1 78 78 ASP H H 78 8.191 8.191 8.572 -0.381 25588 1242 1 2 . 1 1 79 79 THR N N 79 114.600 114.600 107.019 7.581 25588 1243 1 2 . 1 1 79 79 THR HA H 79 4.263 4.263 4.254 0.009 25588 1244 1 2 . 1 1 79 79 THR C C 79 171.900 171.900 174.825 -2.925 25588 1245 1 2 . 1 1 79 79 THR CA C 79 59.510 59.510 63.812 -4.302 25588 1246 1 2 . 1 1 79 79 THR CB C 79 67.090 67.090 68.975 -1.885 25588 1247 1 2 . 1 1 79 79 THR H H 79 8.063 8.063 8.241 -0.178 25588 1248 1 2 . 1 1 80 80 ASP N N 80 123.100 123.100 122.313 0.787 25588 1249 1 2 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.670 0.042 25588 1250 1 2 . 1 1 80 80 ASP C C 80 173.900 173.900 177.749 -3.849 25588 1251 1 2 . 1 1 80 80 ASP CA C 80 51.900 51.900 54.738 -2.838 25588 1252 1 2 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.911 -1.242 25588 1253 1 2 . 1 1 80 80 ASP H H 80 8.423 8.423 8.521 -0.098 25588 1254 1 2 . 1 1 81 81 SER N N 81 116.900 116.900 116.651 0.249 25588 1255 1 2 . 1 1 81 81 SER HA H 81 4.498 4.498 4.155 0.343 25588 1256 1 2 . 1 1 81 81 SER C C 81 172.700 172.700 175.896 -3.196 25588 1257 1 2 . 1 1 81 81 SER CA C 81 56.360 56.360 61.832 -5.472 25588 1258 1 2 . 1 1 81 81 SER CB C 81 61.310 61.310 62.946 -1.635 25588 1259 1 2 . 1 1 81 81 SER H H 81 8.357 8.357 7.940 0.417 25588 1260 1 2 . 1 1 82 82 GLU N N 82 122.800 122.800 122.017 0.783 25588 1261 1 2 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.840 0.288 25588 1262 1 2 . 1 1 82 82 GLU C C 82 175.300 175.300 177.946 -2.646 25588 1263 1 2 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.489 -3.219 25588 1264 1 2 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.301 -2.551 25588 1265 1 2 . 1 1 82 82 GLU H H 82 8.532 8.532 8.036 0.496 25588 1266 1 2 . 1 1 83 83 GLU N N 83 119.400 119.400 117.390 2.010 25588 1267 1 2 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.133 -0.099 25588 1268 1 2 . 1 1 83 83 GLU C C 83 176.000 176.000 179.657 -3.657 25588 1269 1 2 . 1 1 83 83 GLU CA C 83 57.070 57.070 59.058 -1.988 25588 1270 1 2 . 1 1 83 83 GLU H H 83 8.365 8.365 7.704 0.661 25588 1271 1 2 . 1 1 84 84 GLU N N 84 118.700 118.700 120.487 -1.787 25588 1272 1 2 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.147 -0.000 25588 1273 1 2 . 1 1 84 84 GLU C C 84 177.000 177.000 179.297 -2.297 25588 1274 1 2 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.770 -2.100 25588 1275 1 2 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.187 -2.387 25588 1276 1 2 . 1 1 84 84 GLU H H 84 8.073 8.073 7.737 0.336 25588 1277 1 2 . 1 1 85 85 ILE N N 85 122.200 122.200 119.706 2.494 25588 1278 1 2 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.704 0.290 25588 1279 1 2 . 1 1 85 85 ILE C C 85 175.300 175.300 177.251 -1.951 25588 1280 1 2 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.110 -1.980 25588 1281 1 2 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.444 -2.944 25588 1282 1 2 . 1 1 85 85 ILE H H 85 8.043 8.043 8.815 -0.772 25588 1283 1 2 . 1 1 86 86 ARG N N 86 121.700 121.700 120.031 1.669 25588 1284 1 2 . 1 1 86 86 ARG C C 86 176.700 176.700 178.361 -1.661 25588 1285 1 2 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.872 -2.512 25588 1286 1 2 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.936 -2.886 25588 1287 1 2 . 1 1 86 86 ARG H H 86 8.415 8.415 7.793 0.622 25588 1288 1 2 . 1 1 87 87 GLU N N 87 118.600 118.600 118.687 -0.087 25588 1289 1 2 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.147 -0.038 25588 1290 1 2 . 1 1 87 87 GLU C C 87 175.900 175.900 178.174 -2.274 25588 1291 1 2 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.863 -2.433 25588 1292 1 2 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.292 -2.742 25588 1293 1 2 . 1 1 87 87 GLU H H 87 8.056 8.056 7.805 0.251 25588 1294 1 2 . 1 1 88 88 ALA N N 88 122.000 122.000 122.021 -0.021 25588 1295 1 2 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.099 0.119 25588 1296 1 2 . 1 1 88 88 ALA C C 88 176.600 176.600 179.658 -3.058 25588 1297 1 2 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.730 -2.280 25588 1298 1 2 . 1 1 88 88 ALA CB C 88 15.300 15.300 17.824 -2.524 25588 1299 1 2 . 1 1 88 88 ALA H H 88 7.934 7.934 7.415 0.519 25588 1300 1 2 . 1 1 89 89 PHE N N 89 118.900 118.900 119.849 -0.949 25588 1301 1 2 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.298 -1.147 25588 1302 1 2 . 1 1 89 89 PHE C C 89 173.800 173.800 177.291 -3.491 25588 1303 1 2 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.081 -1.581 25588 1304 1 2 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.046 -2.676 25588 1305 1 2 . 1 1 89 89 PHE H H 89 8.537 8.537 7.975 0.562 25588 1306 1 2 . 1 1 90 90 ARG N N 90 115.600 115.600 119.376 -3.776 25588 1307 1 2 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.832 0.032 25588 1308 1 2 . 1 1 90 90 ARG C C 90 175.500 175.500 178.322 -2.822 25588 1309 1 2 . 1 1 90 90 ARG CA C 90 56.110 56.110 58.934 -2.824 25588 1310 1 2 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.246 -2.596 25588 1311 1 2 . 1 1 90 90 ARG H H 90 7.656 7.656 7.529 0.127 25588 1312 1 2 . 1 1 91 91 VAL N N 91 118.300 118.300 118.672 -0.372 25588 1313 1 2 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.688 -0.201 25588 1314 1 2 . 1 1 91 91 VAL C C 91 174.700 174.700 177.674 -2.974 25588 1315 1 2 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.073 -3.063 25588 1316 1 2 . 1 1 91 91 VAL H H 91 7.496 7.496 7.657 -0.161 25588 1317 1 2 . 1 1 92 92 PHE N N 92 116.300 116.300 118.056 -1.756 25588 1318 1 2 . 1 1 92 92 PHE C C 92 174.300 174.300 175.771 -1.471 25588 1319 1 2 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.272 -2.862 25588 1320 1 2 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.812 -2.192 25588 1321 1 2 . 1 1 92 92 PHE H H 92 7.460 7.460 8.151 -0.691 25588 1322 1 2 . 1 1 93 93 ASP N N 93 116.900 116.900 116.820 0.080 25588 1323 1 2 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.685 -0.181 25588 1324 1 2 . 1 1 93 93 ASP C C 93 174.900 174.900 175.607 -0.707 25588 1325 1 2 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.807 -3.267 25588 1326 1 2 . 1 1 93 93 ASP H H 93 7.821 7.821 7.734 0.087 25588 1327 1 2 . 1 1 94 94 LYS N N 94 125.900 125.900 124.849 1.051 25588 1328 1 2 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.054 -0.166 25588 1329 1 2 . 1 1 94 94 LYS C C 94 175.700 175.700 177.468 -1.768 25588 1330 1 2 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.667 -2.257 25588 1331 1 2 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.557 -2.388 25588 1332 1 2 . 1 1 94 94 LYS H H 94 7.689 7.689 8.517 -0.828 25588 1333 1 2 . 1 1 95 95 ASP N N 95 114.000 114.000 115.992 -1.992 25588 1334 1 2 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.356 0.198 25588 1335 1 2 . 1 1 95 95 ASP C C 95 175.100 175.100 178.245 -3.145 25588 1336 1 2 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.207 -4.887 25588 1337 1 2 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.748 -3.758 25588 1338 1 2 . 1 1 95 95 ASP H H 95 8.179 8.179 8.096 0.083 25588 1339 1 2 . 1 1 96 96 GLY N N 96 109.300 109.300 109.720 -0.420 25588 1340 1 2 . 1 1 96 96 GLY C C 96 172.500 172.500 175.102 -2.602 25588 1341 1 2 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.833 -2.333 25588 1342 1 2 . 1 1 96 96 GLY H H 96 7.765 7.765 8.901 -1.136 25588 1343 1 2 . 1 1 97 97 ASN N N 97 119.600 119.600 122.492 -2.892 25588 1344 1 2 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.603 0.041 25588 1345 1 2 . 1 1 97 97 ASN C C 97 173.400 173.400 175.503 -2.103 25588 1346 1 2 . 1 1 97 97 ASN CA C 97 50.070 50.070 53.800 -3.730 25588 1347 1 2 . 1 1 97 97 ASN CB C 97 35.520 35.520 39.241 -3.721 25588 1348 1 2 . 1 1 97 97 ASN H H 97 8.302 8.302 8.321 -0.019 25588 1349 1 2 . 1 1 98 98 GLY N N 98 113.000 113.000 106.567 6.433 25588 1350 1 2 . 1 1 98 98 GLY C C 98 169.800 169.800 172.362 -2.562 25588 1351 1 2 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.396 -1.886 25588 1352 1 2 . 1 1 98 98 GLY H H 98 10.620 10.620 7.520 3.100 25588 1353 1 2 . 1 1 99 99 TYR N N 99 115.900 115.900 118.062 -2.162 25588 1354 1 2 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.699 0.337 25588 1355 1 2 . 1 1 99 99 TYR C C 99 171.900 171.900 175.847 -3.947 25588 1356 1 2 . 1 1 99 99 TYR CA C 99 53.390 53.390 57.455 -4.065 25588 1357 1 2 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.479 -0.949 25588 1358 1 2 . 1 1 99 99 TYR H H 99 7.597 7.597 8.097 -0.500 25588 1359 1 2 . 1 1 100 100 ILE N N 100 127.400 127.400 123.925 3.475 25588 1360 1 2 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.627 0.152 25588 1361 1 2 . 1 1 100 100 ILE C C 100 172.900 172.900 176.202 -3.302 25588 1362 1 2 . 1 1 100 100 ILE CA C 100 57.660 57.660 60.693 -3.033 25588 1363 1 2 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.732 -2.782 25588 1364 1 2 . 1 1 100 100 ILE H H 100 10.120 10.120 8.418 1.702 25588 1365 1 2 . 1 1 101 101 SER N N 101 123.800 123.800 123.375 0.425 25588 1366 1 2 . 1 1 101 101 SER C C 101 172.600 172.600 175.533 -2.933 25588 1367 1 2 . 1 1 101 101 SER CA C 101 53.180 53.180 56.946 -3.766 25588 1368 1 2 . 1 1 101 101 SER CB C 101 63.970 63.970 65.458 -1.488 25588 1369 1 2 . 1 1 101 101 SER H H 101 8.944 8.944 8.230 0.714 25588 1370 1 2 . 1 1 102 102 ALA N N 102 122.900 122.900 123.613 -0.713 25588 1371 1 2 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.028 -0.114 25588 1372 1 2 . 1 1 102 102 ALA C C 102 176.700 176.700 178.856 -2.156 25588 1373 1 2 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.475 -2.175 25588 1374 1 2 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.324 -2.874 25588 1375 1 2 . 1 1 102 102 ALA H H 102 9.178 9.178 8.722 0.456 25588 1376 1 2 . 1 1 103 103 ALA N N 103 118.400 118.400 120.488 -2.088 25588 1377 1 2 . 1 1 103 103 ALA C C 103 178.700 178.700 179.943 -1.243 25588 1378 1 2 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.120 -2.570 25588 1379 1 2 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.265 -2.385 25588 1380 1 2 . 1 1 103 103 ALA H H 103 8.205 8.205 8.391 -0.186 25588 1381 1 2 . 1 1 104 104 GLU N N 104 119.700 119.700 118.426 1.274 25588 1382 1 2 . 1 1 104 104 GLU C C 104 176.600 176.600 178.895 -2.295 25588 1383 1 2 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.883 -2.244 25588 1384 1 2 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.615 -2.975 25588 1385 1 2 . 1 1 104 104 GLU H H 104 7.835 7.835 7.690 0.145 25588 1386 1 2 . 1 1 105 105 LEU N N 105 121.000 121.000 121.383 -0.383 25588 1387 1 2 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.084 0.015 25588 1388 1 2 . 1 1 105 105 LEU C C 105 175.800 175.800 178.069 -2.269 25588 1389 1 2 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.732 -2.072 25588 1390 1 2 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.896 -7.336 25588 1391 1 2 . 1 1 105 105 LEU H H 105 8.571 8.571 8.086 0.485 25588 1392 1 2 . 1 1 106 106 ARG N N 106 117.500 117.500 118.967 -1.467 25588 1393 1 2 . 1 1 106 106 ARG C C 106 176.000 176.000 178.274 -2.274 25588 1394 1 2 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.422 -3.192 25588 1395 1 2 . 1 1 106 106 ARG H H 106 8.522 8.522 8.191 0.331 25588 1396 1 2 . 1 1 107 107 HIS N N 107 119.000 119.000 117.679 1.321 25588 1397 1 2 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.356 -0.070 25588 1398 1 2 . 1 1 107 107 HIS C C 107 174.900 174.900 177.323 -2.423 25588 1399 1 2 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.713 -2.623 25588 1400 1 2 . 1 1 107 107 HIS H H 107 7.889 7.889 7.902 -0.013 25588 1401 1 2 . 1 1 108 108 VAL N N 108 118.900 118.900 120.038 -1.138 25588 1402 1 2 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.617 -0.132 25588 1403 1 2 . 1 1 108 108 VAL C C 108 175.400 175.400 178.302 -2.902 25588 1404 1 2 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.506 -2.986 25588 1405 1 2 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.456 -2.256 25588 1406 1 2 . 1 1 108 108 VAL H H 108 7.958 7.958 7.539 0.419 25588 1407 1 2 . 1 1 109 109 MET N N 109 116.400 116.400 117.924 -1.524 25588 1408 1 2 . 1 1 109 109 MET HA H 109 4.331 4.331 4.189 0.142 25588 1409 1 2 . 1 1 109 109 MET C C 109 176.000 176.000 178.820 -2.820 25588 1410 1 2 . 1 1 109 109 MET CA C 109 54.910 54.910 57.919 -3.009 25588 1411 1 2 . 1 1 109 109 MET CB C 109 28.750 28.750 31.450 -2.700 25588 1412 1 2 . 1 1 109 109 MET H H 109 8.247 8.247 8.795 -0.548 25588 1413 1 2 . 1 1 110 110 THR N N 110 114.900 114.900 115.835 -0.935 25588 1414 1 2 . 1 1 110 110 THR HA H 110 4.152 4.152 3.958 0.194 25588 1415 1 2 . 1 1 110 110 THR C C 110 175.000 175.000 176.647 -1.647 25588 1416 1 2 . 1 1 110 110 THR CA C 110 63.270 63.270 66.423 -3.153 25588 1417 1 2 . 1 1 110 110 THR CB C 110 66.230 66.230 68.536 -2.306 25588 1418 1 2 . 1 1 110 110 THR H H 110 8.125 8.125 8.242 -0.117 25588 1419 1 2 . 1 1 111 111 ASN N N 111 122.200 122.200 118.845 3.355 25588 1420 1 2 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.449 -0.012 25588 1421 1 2 . 1 1 111 111 ASN C C 111 173.700 173.700 177.193 -3.493 25588 1422 1 2 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.293 -2.223 25588 1423 1 2 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.668 -2.848 25588 1424 1 2 . 1 1 111 111 ASN H H 111 7.867 7.867 7.686 0.181 25588 1425 1 2 . 1 1 112 112 LEU N N 112 119.100 119.100 120.012 -0.912 25588 1426 1 2 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.060 0.273 25588 1427 1 2 . 1 1 112 112 LEU C C 112 174.700 174.700 176.697 -1.997 25588 1428 1 2 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.410 -3.650 25588 1429 1 2 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.641 -3.191 25588 1430 1 2 . 1 1 112 112 LEU H H 112 7.850 7.850 7.322 0.528 25588 1431 1 2 . 1 1 113 113 GLY N N 113 106.800 106.800 104.333 2.467 25588 1432 1 2 . 1 1 113 113 GLY C C 113 171.700 171.700 172.287 -0.587 25588 1433 1 2 . 1 1 113 113 GLY CA C 113 42.790 42.790 44.944 -2.154 25588 1434 1 2 . 1 1 113 113 GLY H H 113 7.830 7.830 7.415 0.415 25588 1435 1 2 . 1 1 114 114 GLU N N 114 120.600 120.600 119.838 0.762 25588 1436 1 2 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.653 -0.253 25588 1437 1 2 . 1 1 114 114 GLU C C 114 172.800 172.800 177.224 -4.424 25588 1438 1 2 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.051 -3.381 25588 1439 1 2 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.346 -2.386 25588 1440 1 2 . 1 1 114 114 GLU H H 114 7.914 7.914 8.648 -0.734 25588 1441 1 2 . 1 1 115 115 LYS N N 115 124.000 124.000 120.160 3.840 25588 1442 1 2 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.129 0.228 25588 1443 1 2 . 1 1 115 115 LYS C C 115 173.000 173.000 176.136 -3.136 25588 1444 1 2 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.572 -5.552 25588 1445 1 2 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.882 -3.472 25588 1446 1 2 . 1 1 115 115 LYS H H 115 8.505 8.505 8.476 0.029 25588 1447 1 2 . 1 1 116 116 LEU N N 116 125.000 125.000 116.199 8.801 25588 1448 1 2 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.628 0.131 25588 1449 1 2 . 1 1 116 116 LEU C C 116 175.300 175.300 176.327 -1.027 25588 1450 1 2 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.387 -0.967 25588 1451 1 2 . 1 1 116 116 LEU CB C 116 42.110 42.110 44.825 -2.715 25588 1452 1 2 . 1 1 116 116 LEU H H 116 8.076 8.076 7.633 0.443 25588 1453 1 2 . 1 1 117 117 THR N N 117 114.500 114.500 110.726 3.774 25588 1454 1 2 . 1 1 117 117 THR HA H 117 4.453 4.453 4.247 0.206 25588 1455 1 2 . 1 1 117 117 THR C C 117 172.800 172.800 174.355 -1.555 25588 1456 1 2 . 1 1 117 117 THR CA C 117 57.970 57.970 61.954 -3.984 25588 1457 1 2 . 1 1 117 117 THR CB C 117 68.610 68.610 69.892 -1.282 25588 1458 1 2 . 1 1 117 117 THR H H 117 9.116 9.116 8.298 0.818 25588 1459 1 2 . 1 1 118 118 ASP N N 118 121.000 121.000 119.312 1.688 25588 1460 1 2 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.638 -0.442 25588 1461 1 2 . 1 1 118 118 ASP C C 118 175.900 175.900 177.531 -1.631 25588 1462 1 2 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.283 -0.923 25588 1463 1 2 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.978 -3.868 25588 1464 1 2 . 1 1 118 118 ASP H H 118 8.847 8.847 8.659 0.188 25588 1465 1 2 . 1 1 119 119 GLU N N 119 119.100 119.100 119.089 0.011 25588 1466 1 2 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.414 -0.344 25588 1467 1 2 . 1 1 119 119 GLU C C 119 176.500 176.500 177.401 -0.901 25588 1468 1 2 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.436 -1.156 25588 1469 1 2 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.583 -3.153 25588 1470 1 2 . 1 1 119 119 GLU H H 119 8.626 8.626 8.416 0.210 25588 1471 1 2 . 1 1 120 120 GLU N N 120 120.500 120.500 118.467 2.033 25588 1472 1 2 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.062 -0.072 25588 1473 1 2 . 1 1 120 120 GLU C C 120 177.400 177.400 178.685 -1.285 25588 1474 1 2 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.326 -2.736 25588 1475 1 2 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.142 -0.351 25588 1476 1 2 . 1 1 120 120 GLU H H 120 7.724 7.724 8.783 -1.059 25588 1477 1 2 . 1 1 121 121 VAL N N 121 121.100 121.100 115.141 5.959 25588 1478 1 2 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.822 -0.235 25588 1479 1 2 . 1 1 121 121 VAL C C 121 174.600 174.600 177.547 -2.947 25588 1480 1 2 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.450 -1.140 25588 1481 1 2 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.222 -2.842 25588 1482 1 2 . 1 1 121 121 VAL H H 121 8.062 8.062 7.909 0.153 25588 1483 1 2 . 1 1 122 122 ASP N N 122 119.600 119.600 121.722 -2.122 25588 1484 1 2 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.330 -0.021 25588 1485 1 2 . 1 1 122 122 ASP C C 122 176.500 176.500 178.825 -2.325 25588 1486 1 2 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.408 -2.408 25588 1487 1 2 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.106 -2.206 25588 1488 1 2 . 1 1 122 122 ASP H H 122 8.007 8.007 7.678 0.329 25588 1489 1 2 . 1 1 123 123 GLU N N 123 119.300 119.300 119.176 0.124 25588 1490 1 2 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.030 -0.032 25588 1491 1 2 . 1 1 123 123 GLU C C 123 175.400 175.400 178.827 -3.427 25588 1492 1 2 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.818 -2.158 25588 1493 1 2 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.394 -2.604 25588 1494 1 2 . 1 1 123 123 GLU H H 123 7.967 7.967 8.053 -0.086 25588 1495 1 2 . 1 1 124 124 MET N N 124 119.600 119.600 120.507 -0.907 25588 1496 1 2 . 1 1 124 124 MET HA H 124 4.033 4.033 4.206 -0.173 25588 1497 1 2 . 1 1 124 124 MET C C 124 176.500 176.500 178.620 -2.120 25588 1498 1 2 . 1 1 124 124 MET CA C 124 56.970 56.970 58.145 -1.175 25588 1499 1 2 . 1 1 124 124 MET CB C 124 30.470 30.470 32.423 -1.953 25588 1500 1 2 . 1 1 124 124 MET H H 124 7.789 7.789 7.924 -0.135 25588 1501 1 2 . 1 1 125 125 ILE N N 125 118.500 118.500 116.999 1.501 25588 1502 1 2 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.726 -0.227 25588 1503 1 2 . 1 1 125 125 ILE C C 125 174.600 174.600 177.665 -3.065 25588 1504 1 2 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.874 -2.684 25588 1505 1 2 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.514 -4.004 25588 1506 1 2 . 1 1 125 125 ILE H H 125 7.940 7.940 7.978 -0.038 25588 1507 1 2 . 1 1 126 126 ARG N N 126 118.300 118.300 118.990 -0.690 25588 1508 1 2 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.115 -0.107 25588 1509 1 2 . 1 1 126 126 ARG C C 126 176.800 176.800 178.421 -1.621 25588 1510 1 2 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.084 -1.984 25588 1511 1 2 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.586 -3.016 25588 1512 1 2 . 1 1 126 126 ARG H H 126 8.168 8.168 7.584 0.584 25588 1513 1 2 . 1 1 127 127 GLU N N 127 116.300 116.300 119.751 -3.451 25588 1514 1 2 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.199 -0.216 25588 1515 1 2 . 1 1 127 127 GLU C C 127 174.700 174.700 177.593 -2.893 25588 1516 1 2 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.224 -2.344 25588 1517 1 2 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.514 -2.574 25588 1518 1 2 . 1 1 127 127 GLU H H 127 7.918 7.918 8.267 -0.349 25588 1519 1 2 . 1 1 128 128 ALA N N 128 119.100 119.100 121.230 -2.130 25588 1520 1 2 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.173 0.245 25588 1521 1 2 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.085 -4.575 25588 1522 1 2 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.840 -0.100 25588 1523 1 2 . 1 1 128 128 ALA H H 128 7.354 7.354 7.560 -0.206 25588 1524 1 2 . 1 1 129 129 ASP N N 129 117.400 117.400 117.277 0.123 25588 1525 1 2 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.660 -0.158 25588 1526 1 2 . 1 1 129 129 ASP C C 129 173.400 173.400 176.305 -2.905 25588 1527 1 2 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.075 -1.665 25588 1528 1 2 . 1 1 129 129 ASP CB C 129 37.700 37.700 43.022 -5.322 25588 1529 1 2 . 1 1 129 129 ASP H H 129 7.871 7.871 7.558 0.313 25588 1530 1 2 . 1 1 130 130 ILE N N 130 128.000 128.000 117.374 10.626 25588 1531 1 2 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.215 -0.298 25588 1532 1 2 . 1 1 130 130 ILE C C 130 175.300 175.300 176.131 -0.831 25588 1533 1 2 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.305 -0.595 25588 1534 1 2 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.880 -2.070 25588 1535 1 2 . 1 1 130 130 ILE H H 130 8.384 8.384 8.307 0.077 25588 1536 1 2 . 1 1 131 131 ASP N N 131 116.800 116.800 122.127 -5.327 25588 1537 1 2 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.465 0.085 25588 1538 1 2 . 1 1 131 131 ASP C C 131 175.600 175.600 177.677 -2.077 25588 1539 1 2 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.382 -5.162 25588 1540 1 2 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.002 -3.772 25588 1541 1 2 . 1 1 131 131 ASP H H 131 8.281 8.281 7.922 0.359 25588 1542 1 2 . 1 1 132 132 GLY N N 132 108.500 108.500 106.837 1.663 25588 1543 1 2 . 1 1 132 132 GLY C C 132 172.600 172.600 174.924 -2.324 25588 1544 1 2 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.416 -1.566 25588 1545 1 2 . 1 1 132 132 GLY H H 132 7.575 7.575 8.805 -1.230 25588 1546 1 2 . 1 1 133 133 ASP N N 133 120.800 120.800 119.763 1.037 25588 1547 1 2 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.541 -0.077 25588 1548 1 2 . 1 1 133 133 ASP C C 133 174.900 174.900 177.036 -2.136 25588 1549 1 2 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.544 -2.554 25588 1550 1 2 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.471 -2.881 25588 1551 1 2 . 1 1 133 133 ASP H H 133 8.326 8.326 8.104 0.222 25588 1552 1 2 . 1 1 134 134 GLY N N 134 112.900 112.900 108.362 4.538 25588 1553 1 2 . 1 1 134 134 GLY C C 134 170.200 170.200 172.978 -2.778 25588 1554 1 2 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.535 -2.485 25588 1555 1 2 . 1 1 134 134 GLY H H 134 10.310 10.310 8.403 1.907 25588 1556 1 2 . 1 1 135 135 GLN N N 135 115.400 115.400 121.914 -6.514 25588 1557 1 2 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.635 0.225 25588 1558 1 2 . 1 1 135 135 GLN C C 135 172.100 172.100 173.528 -1.428 25588 1559 1 2 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.131 -3.601 25588 1560 1 2 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.433 -2.413 25588 1561 1 2 . 1 1 135 135 GLN H H 135 7.937 7.937 8.054 -0.117 25588 1562 1 2 . 1 1 136 136 VAL N N 136 125.500 125.500 122.778 2.722 25588 1563 1 2 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.533 0.657 25588 1564 1 2 . 1 1 136 136 VAL C C 136 173.200 173.200 174.799 -1.599 25588 1565 1 2 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.797 -1.697 25588 1566 1 2 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.023 -3.103 25588 1567 1 2 . 1 1 136 136 VAL H H 136 9.112 9.112 8.777 0.335 25588 1568 1 2 . 1 1 137 137 ASN N N 137 129.000 129.000 122.750 6.250 25588 1569 1 2 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.257 -0.025 25588 1570 1 2 . 1 1 137 137 ASN C C 137 172.200 172.200 175.117 -2.917 25588 1571 1 2 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.810 -3.350 25588 1572 1 2 . 1 1 137 137 ASN CB C 137 35.690 35.690 42.050 -6.361 25588 1573 1 2 . 1 1 137 137 ASN H H 137 9.509 9.509 7.911 1.598 25588 1574 1 2 . 1 1 138 138 TYR N N 138 118.400 118.400 122.567 -4.167 25588 1575 1 2 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.425 -1.001 25588 1576 1 2 . 1 1 138 138 TYR C C 138 173.500 173.500 177.355 -3.855 25588 1577 1 2 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.502 -2.472 25588 1578 1 2 . 1 1 138 138 TYR H H 138 8.420 8.420 9.248 -0.828 25588 1579 1 2 . 1 1 139 139 GLU N N 139 118.400 118.400 118.411 -0.011 25588 1580 1 2 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.831 -0.190 25588 1581 1 2 . 1 1 139 139 GLU C C 139 177.900 177.900 178.961 -1.061 25588 1582 1 2 . 1 1 139 139 GLU CA C 139 57.740 57.740 59.922 -2.182 25588 1583 1 2 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.696 -2.306 25588 1584 1 2 . 1 1 139 139 GLU H H 139 8.066 8.066 8.927 -0.861 25588 1585 1 2 . 1 1 140 140 GLU N N 140 119.900 119.900 119.068 0.832 25588 1586 1 2 . 1 1 140 140 GLU C C 140 176.700 176.700 178.664 -1.964 25588 1587 1 2 . 1 1 140 140 GLU CA C 140 55.900 55.900 59.000 -3.100 25588 1588 1 2 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.116 -1.916 25588 1589 1 2 . 1 1 140 140 GLU H H 140 8.728 8.728 8.392 0.336 25588 1590 1 2 . 1 1 141 141 PHE N N 141 124.600 124.600 119.369 5.231 25588 1591 1 2 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.143 -0.159 25588 1592 1 2 . 1 1 141 141 PHE C C 141 174.200 174.200 177.602 -3.402 25588 1593 1 2 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.813 -2.853 25588 1594 1 2 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.554 -1.284 25588 1595 1 2 . 1 1 141 141 PHE H H 141 8.920 8.920 7.670 1.250 25588 1596 1 2 . 1 1 142 142 VAL N N 142 119.300 119.300 117.863 1.437 25588 1597 1 2 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.489 -0.368 25588 1598 1 2 . 1 1 142 142 VAL C C 142 176.900 176.900 177.367 -0.467 25588 1599 1 2 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.368 -1.938 25588 1600 1 2 . 1 1 142 142 VAL H H 142 8.536 8.536 7.240 1.296 25588 1601 1 2 . 1 1 143 143 GLN N N 143 118.200 118.200 116.477 1.723 25588 1602 1 2 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.087 -0.236 25588 1603 1 2 . 1 1 143 143 GLN C C 143 175.300 175.300 177.911 -2.611 25588 1604 1 2 . 1 1 143 143 GLN CA C 143 56.260 56.260 56.936 -0.676 25588 1605 1 2 . 1 1 143 143 GLN H H 143 7.404 7.404 7.345 0.059 25588 1606 1 2 . 1 1 144 144 MET N N 144 119.400 119.400 118.685 0.715 25588 1607 1 2 . 1 1 144 144 MET HA H 144 4.107 4.107 4.188 -0.081 25588 1608 1 2 . 1 1 144 144 MET C C 144 175.400 175.400 176.133 -0.733 25588 1609 1 2 . 1 1 144 144 MET CA C 144 55.500 55.500 58.220 -2.720 25588 1610 1 2 . 1 1 144 144 MET CB C 144 30.460 30.460 33.430 -2.970 25588 1611 1 2 . 1 1 144 144 MET H H 144 7.878 7.878 7.662 0.216 25588 1612 1 2 . 1 1 145 145 MET N N 145 115.000 115.000 116.751 -1.751 25588 1613 1 2 . 1 1 145 145 MET HA H 145 4.281 4.281 4.632 -0.351 25588 1614 1 2 . 1 1 145 145 MET C C 145 174.900 174.900 174.454 0.446 25588 1615 1 2 . 1 1 145 145 MET CA C 145 52.740 52.740 55.276 -2.537 25588 1616 1 2 . 1 1 145 145 MET H H 145 7.852 7.852 7.453 0.399 25588 1617 1 2 . 1 1 146 146 THR N N 146 111.100 111.100 116.288 -5.188 25588 1618 1 2 . 1 1 146 146 THR HA H 146 4.306 4.306 4.427 -0.121 25588 1619 1 2 . 1 1 146 146 THR C C 146 171.600 171.600 173.923 -2.323 25588 1620 1 2 . 1 1 146 146 THR CA C 146 59.830 59.830 62.368 -2.538 25588 1621 1 2 . 1 1 146 146 THR CB C 146 67.510 67.510 69.082 -1.572 25588 1622 1 2 . 1 1 146 146 THR H H 146 7.571 7.571 8.146 -0.575 25588 1623 1 2 . 1 1 147 147 ALA N N 147 126.300 126.300 128.271 -1.971 25588 1624 1 2 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.136 0.164 25588 1625 1 2 . 1 1 147 147 ALA C C 147 174.000 174.000 176.772 -2.772 25588 1626 1 2 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.015 -3.825 25588 1627 1 2 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.498 -3.018 25588 1628 1 2 . 1 1 147 147 ALA H H 147 7.723 7.723 8.076 -0.353 25588 1629 1 3 . 1 1 2 2 ASP N N 2 118.400 118.400 120.879 -2.479 25588 1630 1 3 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.728 -0.114 25588 1631 1 3 . 1 1 2 2 ASP C C 2 173.000 173.000 176.438 -3.438 25588 1632 1 3 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.015 -1.995 25588 1633 1 3 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.406 -2.586 25588 1634 1 3 . 1 1 2 2 ASP H H 2 8.311 8.311 8.456 -0.145 25588 1635 1 3 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.159 0.195 25588 1636 1 3 . 1 1 3 3 GLN C C 3 173.000 173.000 176.088 -3.088 25588 1637 1 3 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.239 -3.329 25588 1638 1 3 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.451 -2.301 25588 1639 1 3 . 1 1 3 3 GLN H H 3 8.321 8.321 8.589 -0.268 25588 1640 1 3 . 1 1 4 4 LEU N N 4 123.200 123.200 120.728 2.472 25588 1641 1 3 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.461 0.189 25588 1642 1 3 . 1 1 4 4 LEU C C 4 175.100 175.100 175.584 -0.484 25588 1643 1 3 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.590 -2.800 25588 1644 1 3 . 1 1 4 4 LEU CB C 4 40.860 40.860 42.844 -1.984 25588 1645 1 3 . 1 1 4 4 LEU H H 4 8.268 8.268 8.178 0.090 25588 1646 1 3 . 1 1 5 5 THR N N 5 113.000 113.000 117.134 -4.134 25588 1647 1 3 . 1 1 5 5 THR HA H 5 4.754 4.754 4.633 0.121 25588 1648 1 3 . 1 1 5 5 THR C C 5 172.800 172.800 174.862 -2.062 25588 1649 1 3 . 1 1 5 5 THR CA C 5 57.880 57.880 60.445 -2.565 25588 1650 1 3 . 1 1 5 5 THR CB C 5 68.480 68.480 71.498 -3.018 25588 1651 1 3 . 1 1 5 5 THR H H 5 8.682 8.682 7.603 1.079 25588 1652 1 3 . 1 1 6 6 GLU N N 6 120.500 120.500 122.205 -1.705 25588 1653 1 3 . 1 1 6 6 GLU HA H 6 3.963 3.963 3.977 -0.014 25588 1654 1 3 . 1 1 6 6 GLU C C 6 176.800 176.800 177.931 -1.131 25588 1655 1 3 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.181 -1.751 25588 1656 1 3 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.347 -2.827 25588 1657 1 3 . 1 1 6 6 GLU H H 6 8.990 8.990 9.035 -0.045 25588 1658 1 3 . 1 1 7 7 GLU N N 7 119.600 119.600 118.161 1.439 25588 1659 1 3 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.012 0.057 25588 1660 1 3 . 1 1 7 7 GLU C C 7 176.500 176.500 178.900 -2.400 25588 1661 1 3 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.198 -1.818 25588 1662 1 3 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.248 -2.818 25588 1663 1 3 . 1 1 7 7 GLU H H 7 8.668 8.668 8.699 -0.031 25588 1664 1 3 . 1 1 8 8 GLN N N 8 120.100 120.100 117.893 2.207 25588 1665 1 3 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.200 -0.331 25588 1666 1 3 . 1 1 8 8 GLN C C 8 175.700 175.700 178.908 -3.208 25588 1667 1 3 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.472 -2.522 25588 1668 1 3 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.819 -2.009 25588 1669 1 3 . 1 1 8 8 GLN H H 8 7.721 7.721 7.577 0.144 25588 1670 1 3 . 1 1 9 9 ILE N N 9 119.600 119.600 120.719 -1.119 25588 1671 1 3 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.931 -0.219 25588 1672 1 3 . 1 1 9 9 ILE C C 9 175.100 175.100 177.740 -2.640 25588 1673 1 3 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.784 -1.254 25588 1674 1 3 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.919 -2.838 25588 1675 1 3 . 1 1 9 9 ILE H H 9 8.373 8.373 7.502 0.871 25588 1676 1 3 . 1 1 10 10 ALA N N 10 121.300 121.300 121.377 -0.077 25588 1677 1 3 . 1 1 10 10 ALA C C 10 178.400 178.400 179.109 -0.709 25588 1678 1 3 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.050 -2.260 25588 1679 1 3 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.779 -2.419 25588 1680 1 3 . 1 1 10 10 ALA H H 10 7.984 7.984 8.454 -0.470 25588 1681 1 3 . 1 1 11 11 GLU N N 11 119.500 119.500 119.643 -0.143 25588 1682 1 3 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.893 0.254 25588 1683 1 3 . 1 1 11 11 GLU C C 11 177.900 177.900 179.078 -1.178 25588 1684 1 3 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.093 -2.422 25588 1685 1 3 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.236 -2.736 25588 1686 1 3 . 1 1 11 11 GLU H H 11 7.779 7.779 7.567 0.212 25588 1687 1 3 . 1 1 12 12 PHE N N 12 120.200 120.200 118.250 1.950 25588 1688 1 3 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.169 0.851 25588 1689 1 3 . 1 1 12 12 PHE C C 12 176.100 176.100 177.957 -1.857 25588 1690 1 3 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.471 -4.861 25588 1691 1 3 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.692 -3.412 25588 1692 1 3 . 1 1 12 12 PHE H H 12 8.562 8.562 8.401 0.161 25588 1693 1 3 . 1 1 13 13 LYS N N 13 123.500 123.500 119.641 3.859 25588 1694 1 3 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.058 -0.069 25588 1695 1 3 . 1 1 13 13 LYS C C 13 176.700 176.700 179.754 -3.054 25588 1696 1 3 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.510 -1.990 25588 1697 1 3 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.337 -3.027 25588 1698 1 3 . 1 1 13 13 LYS H H 13 9.161 9.161 7.661 1.500 25588 1699 1 3 . 1 1 14 14 GLU N N 14 120.400 120.400 119.028 1.372 25588 1700 1 3 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.196 -0.071 25588 1701 1 3 . 1 1 14 14 GLU C C 14 176.800 176.800 178.693 -1.893 25588 1702 1 3 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.834 -2.104 25588 1703 1 3 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.487 -2.887 25588 1704 1 3 . 1 1 14 14 GLU H H 14 7.786 7.786 8.544 -0.758 25588 1705 1 3 . 1 1 15 15 ALA N N 15 122.600 122.600 121.350 1.250 25588 1706 1 3 . 1 1 15 15 ALA HA H 15 4.283 4.283 4.298 -0.015 25588 1707 1 3 . 1 1 15 15 ALA C C 15 176.400 176.400 178.855 -2.455 25588 1708 1 3 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.144 -1.554 25588 1709 1 3 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.172 -2.632 25588 1710 1 3 . 1 1 15 15 ALA H H 15 7.981 7.981 8.337 -0.356 25588 1711 1 3 . 1 1 16 16 PHE N N 16 119.400 119.400 119.609 -0.209 25588 1712 1 3 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.056 -0.850 25588 1713 1 3 . 1 1 16 16 PHE C C 16 174.600 174.600 176.847 -2.247 25588 1714 1 3 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.101 -1.741 25588 1715 1 3 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.148 -2.108 25588 1716 1 3 . 1 1 16 16 PHE H H 16 8.796 8.796 7.744 1.052 25588 1717 1 3 . 1 1 17 17 SER N N 17 112.600 112.600 114.645 -2.045 25588 1718 1 3 . 1 1 17 17 SER HA H 17 4.028 4.028 4.096 -0.068 25588 1719 1 3 . 1 1 17 17 SER C C 17 172.400 172.400 176.110 -3.710 25588 1720 1 3 . 1 1 17 17 SER CA C 17 58.820 58.820 60.970 -2.150 25588 1721 1 3 . 1 1 17 17 SER CB C 17 60.680 60.680 63.423 -2.743 25588 1722 1 3 . 1 1 17 17 SER H H 17 7.898 7.898 7.935 -0.037 25588 1723 1 3 . 1 1 18 18 LEU N N 18 121.000 121.000 123.592 -2.592 25588 1724 1 3 . 1 1 18 18 LEU HA H 18 3.995 3.995 4.060 -0.065 25588 1725 1 3 . 1 1 18 18 LEU C C 18 175.300 175.300 178.284 -2.984 25588 1726 1 3 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.881 -3.391 25588 1727 1 3 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.822 -2.952 25588 1728 1 3 . 1 1 18 18 LEU H H 18 7.426 7.426 7.348 0.078 25588 1729 1 3 . 1 1 19 19 PHE N N 19 115.200 115.200 116.002 -0.802 25588 1730 1 3 . 1 1 19 19 PHE C C 19 174.100 174.100 178.261 -4.161 25588 1731 1 3 . 1 1 19 19 PHE CA C 19 56.640 56.640 60.499 -3.859 25588 1732 1 3 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.473 -0.223 25588 1733 1 3 . 1 1 19 19 PHE H H 19 7.309 7.309 8.225 -0.916 25588 1734 1 3 . 1 1 20 20 ASP N N 20 117.700 117.700 118.737 -1.037 25588 1735 1 3 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.636 -0.096 25588 1736 1 3 . 1 1 20 20 ASP C C 20 174.500 174.500 178.235 -3.735 25588 1737 1 3 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.907 -5.187 25588 1738 1 3 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.852 -4.652 25588 1739 1 3 . 1 1 20 20 ASP H H 20 7.814 7.814 7.645 0.169 25588 1740 1 3 . 1 1 21 21 LYS N N 21 124.400 124.400 119.281 5.119 25588 1741 1 3 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.895 0.059 25588 1742 1 3 . 1 1 21 21 LYS C C 21 175.500 175.500 177.581 -2.081 25588 1743 1 3 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.077 -3.187 25588 1744 1 3 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.253 -2.193 25588 1745 1 3 . 1 1 21 21 LYS H H 21 7.652 7.652 7.735 -0.083 25588 1746 1 3 . 1 1 22 22 ASP N N 22 113.900 113.900 116.943 -3.043 25588 1747 1 3 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.370 0.215 25588 1748 1 3 . 1 1 22 22 ASP C C 22 175.000 175.000 177.110 -2.110 25588 1749 1 3 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.611 -5.481 25588 1750 1 3 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.849 -3.939 25588 1751 1 3 . 1 1 22 22 ASP H H 22 8.056 8.056 7.695 0.361 25588 1752 1 3 . 1 1 23 23 GLY N N 23 109.200 109.200 108.385 0.815 25588 1753 1 3 . 1 1 23 23 GLY C C 23 172.300 172.300 173.113 -0.813 25588 1754 1 3 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.304 0.286 25588 1755 1 3 . 1 1 23 23 GLY H H 23 7.660 7.660 7.762 -0.102 25588 1756 1 3 . 1 1 24 24 ASP N N 24 118.600 118.600 119.424 -0.824 25588 1757 1 3 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.520 0.097 25588 1758 1 3 . 1 1 24 24 ASP C C 24 174.200 174.200 175.948 -1.748 25588 1759 1 3 . 1 1 24 24 ASP CA C 24 49.970 49.970 54.988 -5.018 25588 1760 1 3 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.151 -6.061 25588 1761 1 3 . 1 1 24 24 ASP H H 24 8.052 8.052 8.426 -0.374 25588 1762 1 3 . 1 1 25 25 GLY N N 25 113.400 113.400 106.495 6.905 25588 1763 1 3 . 1 1 25 25 GLY C C 25 170.600 170.600 172.929 -2.329 25588 1764 1 3 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.287 -2.127 25588 1765 1 3 . 1 1 25 25 GLY H H 25 10.570 10.570 7.694 2.876 25588 1766 1 3 . 1 1 26 26 THR N N 26 109.100 109.100 116.496 -7.396 25588 1767 1 3 . 1 1 26 26 THR HA H 26 5.271 5.271 4.376 0.895 25588 1768 1 3 . 1 1 26 26 THR C C 26 170.200 170.200 172.574 -2.374 25588 1769 1 3 . 1 1 26 26 THR CA C 26 57.170 57.170 61.910 -4.740 25588 1770 1 3 . 1 1 26 26 THR CB C 26 69.920 69.920 72.794 -2.874 25588 1771 1 3 . 1 1 26 26 THR H H 26 7.661 7.661 7.748 -0.087 25588 1772 1 3 . 1 1 27 27 ILE N N 27 127.100 127.100 124.694 2.406 25588 1773 1 3 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.591 0.380 25588 1774 1 3 . 1 1 27 27 ILE C C 27 173.400 173.400 175.136 -1.736 25588 1775 1 3 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.951 -2.131 25588 1776 1 3 . 1 1 27 27 ILE CB C 27 36.720 36.720 38.788 -2.068 25588 1777 1 3 . 1 1 27 27 ILE H H 27 9.766 9.766 8.133 1.633 25588 1778 1 3 . 1 1 28 28 THR N N 28 116.500 116.500 116.262 0.238 25588 1779 1 3 . 1 1 28 28 THR HA H 28 4.802 4.802 4.882 -0.080 25588 1780 1 3 . 1 1 28 28 THR C C 28 173.900 173.900 176.195 -2.295 25588 1781 1 3 . 1 1 28 28 THR CA C 28 56.980 56.980 59.827 -2.847 25588 1782 1 3 . 1 1 28 28 THR CB C 28 69.730 69.730 71.560 -1.830 25588 1783 1 3 . 1 1 28 28 THR H H 28 8.458 8.458 8.022 0.436 25588 1784 1 3 . 1 1 29 29 THR N N 29 112.900 112.900 112.387 0.513 25588 1785 1 3 . 1 1 29 29 THR HA H 29 4.169 4.169 4.009 0.160 25588 1786 1 3 . 1 1 29 29 THR C C 29 174.500 174.500 176.764 -2.264 25588 1787 1 3 . 1 1 29 29 THR CA C 29 63.940 63.940 66.193 -2.253 25588 1788 1 3 . 1 1 29 29 THR CB C 29 65.170 65.170 68.563 -3.393 25588 1789 1 3 . 1 1 29 29 THR H H 29 9.066 9.066 8.805 0.261 25588 1790 1 3 . 1 1 30 30 LYS N N 30 120.800 120.800 121.386 -0.586 25588 1791 1 3 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.873 0.238 25588 1792 1 3 . 1 1 30 30 LYS C C 30 177.200 177.200 178.396 -1.196 25588 1793 1 3 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.172 -2.642 25588 1794 1 3 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.272 -2.312 25588 1795 1 3 . 1 1 30 30 LYS H H 30 7.664 7.664 7.653 0.011 25588 1796 1 3 . 1 1 31 31 GLU N N 31 121.400 121.400 118.490 2.910 25588 1797 1 3 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.603 0.462 25588 1798 1 3 . 1 1 31 31 GLU C C 31 176.500 176.500 179.190 -2.690 25588 1799 1 3 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.502 -1.922 25588 1800 1 3 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.474 -2.314 25588 1801 1 3 . 1 1 31 31 GLU H H 31 7.635 7.635 7.260 0.375 25588 1802 1 3 . 1 1 32 32 LEU N N 32 120.600 120.600 121.933 -1.333 25588 1803 1 3 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.206 -0.124 25588 1804 1 3 . 1 1 32 32 LEU C C 32 176.300 176.300 178.350 -2.050 25588 1805 1 3 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.224 -1.814 25588 1806 1 3 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.791 -1.821 25588 1807 1 3 . 1 1 32 32 LEU H H 32 8.699 8.699 7.897 0.802 25588 1808 1 3 . 1 1 33 33 GLY N N 33 105.600 105.600 104.290 1.310 25588 1809 1 3 . 1 1 33 33 GLY C C 33 172.500 172.500 176.079 -3.579 25588 1810 1 3 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.608 -1.888 25588 1811 1 3 . 1 1 33 33 GLY H H 33 8.616 8.616 8.686 -0.070 25588 1812 1 3 . 1 1 34 34 THR N N 34 118.000 118.000 119.367 -1.367 25588 1813 1 3 . 1 1 34 34 THR HA H 34 3.913 3.913 3.920 -0.007 25588 1814 1 3 . 1 1 34 34 THR C C 34 174.500 174.500 176.446 -1.946 25588 1815 1 3 . 1 1 34 34 THR CA C 34 64.250 64.250 66.378 -2.128 25588 1816 1 3 . 1 1 34 34 THR CB C 34 66.100 66.100 68.239 -2.139 25588 1817 1 3 . 1 1 34 34 THR H H 34 7.867 7.867 7.278 0.589 25588 1818 1 3 . 1 1 35 35 VAL N N 35 122.100 122.100 122.395 -0.295 25588 1819 1 3 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.908 -0.450 25588 1820 1 3 . 1 1 35 35 VAL C C 35 176.500 176.500 177.607 -1.107 25588 1821 1 3 . 1 1 35 35 VAL CA C 35 63.630 63.630 66.236 -2.606 25588 1822 1 3 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.053 -2.933 25588 1823 1 3 . 1 1 35 35 VAL H H 35 7.613 7.613 8.616 -1.003 25588 1824 1 3 . 1 1 36 36 MET N N 36 118.400 118.400 118.110 0.290 25588 1825 1 3 . 1 1 36 36 MET HA H 36 4.095 4.095 4.113 -0.018 25588 1826 1 3 . 1 1 36 36 MET C C 36 176.500 176.500 178.261 -1.761 25588 1827 1 3 . 1 1 36 36 MET CA C 36 56.420 56.420 57.791 -1.371 25588 1828 1 3 . 1 1 36 36 MET H H 36 8.440 8.440 7.623 0.817 25588 1829 1 3 . 1 1 37 37 ARG N N 37 119.000 119.000 118.798 0.202 25588 1830 1 3 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.091 0.710 25588 1831 1 3 . 1 1 37 37 ARG C C 37 178.500 178.500 179.370 -0.870 25588 1832 1 3 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.404 -2.983 25588 1833 1 3 . 1 1 37 37 ARG H H 37 8.474 8.474 8.433 0.041 25588 1834 1 3 . 1 1 38 38 SER N N 38 118.800 118.800 116.288 2.512 25588 1835 1 3 . 1 1 38 38 SER HA H 38 4.380 4.380 4.208 0.172 25588 1836 1 3 . 1 1 38 38 SER C C 38 172.200 172.200 175.736 -3.536 25588 1837 1 3 . 1 1 38 38 SER CA C 38 58.930 58.930 61.158 -2.228 25588 1838 1 3 . 1 1 38 38 SER CB C 38 60.200 60.200 62.715 -2.515 25588 1839 1 3 . 1 1 38 38 SER H H 38 7.899 7.899 7.927 -0.028 25588 1840 1 3 . 1 1 39 39 LEU N N 39 120.600 120.600 119.942 0.658 25588 1841 1 3 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.535 -0.040 25588 1842 1 3 . 1 1 39 39 LEU C C 39 174.800 174.800 176.329 -1.529 25588 1843 1 3 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.028 -2.098 25588 1844 1 3 . 1 1 39 39 LEU H H 39 7.364 7.364 7.508 -0.144 25588 1845 1 3 . 1 1 40 40 GLY N N 40 106.800 106.800 107.922 -1.122 25588 1846 1 3 . 1 1 40 40 GLY C C 40 171.700 171.700 173.832 -2.132 25588 1847 1 3 . 1 1 40 40 GLY CA C 40 42.970 42.970 45.242 -2.272 25588 1848 1 3 . 1 1 40 40 GLY H H 40 7.862 7.862 7.829 0.033 25588 1849 1 3 . 1 1 41 41 GLN N N 41 118.400 118.400 121.132 -2.732 25588 1850 1 3 . 1 1 41 41 GLN HA H 41 4.480 4.480 3.785 0.695 25588 1851 1 3 . 1 1 41 41 GLN C C 41 171.400 171.400 174.309 -2.909 25588 1852 1 3 . 1 1 41 41 GLN CA C 41 51.890 51.890 56.749 -4.859 25588 1853 1 3 . 1 1 41 41 GLN CB C 41 28.080 28.080 27.743 0.337 25588 1854 1 3 . 1 1 41 41 GLN H H 41 7.788 7.788 8.317 -0.529 25588 1855 1 3 . 1 1 42 42 ASN N N 42 116.300 116.300 121.019 -4.719 25588 1856 1 3 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.299 -0.106 25588 1857 1 3 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.659 -1.039 25588 1858 1 3 . 1 1 42 42 ASN H H 42 8.665 8.665 7.995 0.670 25588 1859 1 3 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.042 0.693 25588 1860 1 3 . 1 1 43 43 PRO C C 43 175.100 175.100 178.374 -3.274 25588 1861 1 3 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.666 -5.886 25588 1862 1 3 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.588 -2.198 25588 1863 1 3 . 1 1 44 44 THR N N 44 112.900 112.900 112.887 0.013 25588 1864 1 3 . 1 1 44 44 THR HA H 44 4.707 4.707 3.921 0.786 25588 1865 1 3 . 1 1 44 44 THR C C 44 172.600 172.600 176.553 -3.953 25588 1866 1 3 . 1 1 44 44 THR CA C 44 57.830 57.830 66.227 -8.396 25588 1867 1 3 . 1 1 44 44 THR CB C 44 68.490 68.490 68.598 -0.108 25588 1868 1 3 . 1 1 44 44 THR H H 44 8.702 8.702 7.789 0.913 25588 1869 1 3 . 1 1 45 45 GLU N N 45 120.800 120.800 119.999 0.801 25588 1870 1 3 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.274 -0.299 25588 1871 1 3 . 1 1 45 45 GLU C C 45 176.300 176.300 178.144 -1.844 25588 1872 1 3 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.070 -0.610 25588 1873 1 3 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.631 -3.211 25588 1874 1 3 . 1 1 45 45 GLU H H 45 8.789 8.789 8.256 0.533 25588 1875 1 3 . 1 1 46 46 ALA N N 46 120.700 120.700 124.062 -3.362 25588 1876 1 3 . 1 1 46 46 ALA HA H 46 4.089 4.089 3.984 0.105 25588 1877 1 3 . 1 1 46 46 ALA C C 46 177.700 177.700 179.538 -1.838 25588 1878 1 3 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.523 -3.113 25588 1879 1 3 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.957 -2.307 25588 1880 1 3 . 1 1 46 46 ALA H H 46 8.241 8.241 8.397 -0.156 25588 1881 1 3 . 1 1 47 47 GLU N N 47 118.900 118.900 117.716 1.184 25588 1882 1 3 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.150 -0.148 25588 1883 1 3 . 1 1 47 47 GLU C C 47 177.500 177.500 179.181 -1.681 25588 1884 1 3 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.898 -2.489 25588 1885 1 3 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.724 -2.664 25588 1886 1 3 . 1 1 47 47 GLU H H 47 7.682 7.682 7.709 -0.027 25588 1887 1 3 . 1 1 48 48 LEU N N 48 120.600 120.600 119.257 1.343 25588 1888 1 3 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.132 -0.071 25588 1889 1 3 . 1 1 48 48 LEU C C 48 175.900 175.900 178.639 -2.739 25588 1890 1 3 . 1 1 48 48 LEU CA C 48 55.270 55.270 56.509 -1.239 25588 1891 1 3 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.401 -1.661 25588 1892 1 3 . 1 1 48 48 LEU H H 48 8.169 8.169 7.400 0.769 25588 1893 1 3 . 1 1 49 49 GLN N N 49 118.200 118.200 120.137 -1.937 25588 1894 1 3 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.911 -0.084 25588 1895 1 3 . 1 1 49 49 GLN C C 49 175.900 175.900 177.848 -1.948 25588 1896 1 3 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.302 -3.332 25588 1897 1 3 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.847 -2.327 25588 1898 1 3 . 1 1 49 49 GLN H H 49 8.179 8.179 8.335 -0.156 25588 1899 1 3 . 1 1 50 50 ASP N N 50 119.900 119.900 119.316 0.584 25588 1900 1 3 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.432 -0.049 25588 1901 1 3 . 1 1 50 50 ASP C C 50 175.900 175.900 178.169 -2.269 25588 1902 1 3 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.672 -1.722 25588 1903 1 3 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.691 -2.901 25588 1904 1 3 . 1 1 50 50 ASP H H 50 8.037 8.037 7.726 0.311 25588 1905 1 3 . 1 1 51 51 MET N N 51 119.300 119.300 120.682 -1.382 25588 1906 1 3 . 1 1 51 51 MET HA H 51 4.028 4.028 4.109 -0.081 25588 1907 1 3 . 1 1 51 51 MET C C 51 176.200 176.200 178.308 -2.108 25588 1908 1 3 . 1 1 51 51 MET CA C 51 56.710 56.710 59.020 -2.310 25588 1909 1 3 . 1 1 51 51 MET CB C 51 30.570 30.570 32.698 -2.128 25588 1910 1 3 . 1 1 51 51 MET H H 51 7.855 7.855 7.320 0.535 25588 1911 1 3 . 1 1 52 52 ILE N N 52 118.200 118.200 119.520 -1.320 25588 1912 1 3 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.497 -0.008 25588 1913 1 3 . 1 1 52 52 ILE C C 52 175.100 175.100 177.864 -2.764 25588 1914 1 3 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.689 -3.469 25588 1915 1 3 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.635 1.695 25588 1916 1 3 . 1 1 52 52 ILE H H 52 7.701 7.701 8.657 -0.956 25588 1917 1 3 . 1 1 53 53 ASN N N 53 117.700 117.700 117.647 0.053 25588 1918 1 3 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.389 -0.028 25588 1919 1 3 . 1 1 53 53 ASN C C 53 174.800 174.800 177.754 -2.954 25588 1920 1 3 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.108 -2.818 25588 1921 1 3 . 1 1 53 53 ASN CB C 53 35.440 35.440 37.763 -2.323 25588 1922 1 3 . 1 1 53 53 ASN H H 53 8.529 8.529 7.815 0.714 25588 1923 1 3 . 1 1 54 54 GLU N N 54 116.400 116.400 120.394 -3.994 25588 1924 1 3 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.003 0.018 25588 1925 1 3 . 1 1 54 54 GLU C C 54 175.000 175.000 177.959 -2.959 25588 1926 1 3 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.356 -3.116 25588 1927 1 3 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.718 -1.887 25588 1928 1 3 . 1 1 54 54 GLU H H 54 7.573 7.573 7.865 -0.292 25588 1929 1 3 . 1 1 55 55 VAL N N 55 108.400 108.400 116.405 -8.005 25588 1930 1 3 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.946 0.500 25588 1931 1 3 . 1 1 55 55 VAL C C 55 173.100 173.100 177.887 -4.787 25588 1932 1 3 . 1 1 55 55 VAL CA C 55 58.090 58.090 64.923 -6.833 25588 1933 1 3 . 1 1 55 55 VAL H H 55 7.204 7.204 7.618 -0.414 25588 1934 1 3 . 1 1 56 56 ASP N N 56 126.900 126.900 120.671 6.229 25588 1935 1 3 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.535 0.103 25588 1936 1 3 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.096 -4.046 25588 1937 1 3 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.821 -3.341 25588 1938 1 3 . 1 1 56 56 ASP H H 56 7.649 7.649 8.539 -0.889 25588 1939 1 3 . 1 1 57 57 ALA N N 57 131.900 131.900 121.196 10.704 25588 1940 1 3 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.189 -0.007 25588 1941 1 3 . 1 1 57 57 ALA C C 57 176.000 176.000 178.052 -2.052 25588 1942 1 3 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.482 -1.792 25588 1943 1 3 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.248 -1.348 25588 1944 1 3 . 1 1 57 57 ALA H H 57 8.458 8.458 8.030 0.428 25588 1945 1 3 . 1 1 58 58 ASP N N 58 113.800 113.800 118.273 -4.473 25588 1946 1 3 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.382 0.229 25588 1947 1 3 . 1 1 58 58 ASP C C 58 175.200 175.200 177.060 -1.860 25588 1948 1 3 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.776 -5.736 25588 1949 1 3 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.590 -3.390 25588 1950 1 3 . 1 1 58 58 ASP H H 58 8.125 8.125 7.612 0.513 25588 1951 1 3 . 1 1 59 59 GLY N N 59 108.400 108.400 106.318 2.082 25588 1952 1 3 . 1 1 59 59 GLY C C 59 172.500 172.500 173.319 -0.819 25588 1953 1 3 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.243 -0.583 25588 1954 1 3 . 1 1 59 59 GLY H H 59 7.550 7.550 7.814 -0.264 25588 1955 1 3 . 1 1 60 60 ASN N N 60 120.600 120.600 117.352 3.248 25588 1956 1 3 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.765 -0.278 25588 1957 1 3 . 1 1 60 60 ASN C C 60 174.800 174.800 174.864 -0.064 25588 1958 1 3 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.467 -1.287 25588 1959 1 3 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.493 -1.653 25588 1960 1 3 . 1 1 60 60 ASN H H 60 8.356 8.356 8.208 0.148 25588 1961 1 3 . 1 1 61 61 GLY N N 61 113.300 113.300 107.489 5.811 25588 1962 1 3 . 1 1 61 61 GLY C C 61 171.100 171.100 173.912 -2.812 25588 1963 1 3 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.788 -2.958 25588 1964 1 3 . 1 1 61 61 GLY H H 61 10.610 10.610 8.747 1.863 25588 1965 1 3 . 1 1 62 62 THR N N 62 112.900 112.900 111.827 1.073 25588 1966 1 3 . 1 1 62 62 THR HA H 62 4.756 4.756 4.884 -0.128 25588 1967 1 3 . 1 1 62 62 THR C C 62 170.500 170.500 173.254 -2.754 25588 1968 1 3 . 1 1 62 62 THR CA C 62 57.050 57.050 59.693 -2.643 25588 1969 1 3 . 1 1 62 62 THR CB C 62 69.100 69.100 72.259 -3.159 25588 1970 1 3 . 1 1 62 62 THR H H 62 8.111 8.111 7.801 0.310 25588 1971 1 3 . 1 1 63 63 ILE N N 63 123.900 123.900 123.317 0.583 25588 1972 1 3 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.283 0.869 25588 1973 1 3 . 1 1 63 63 ILE C C 63 172.900 172.900 174.634 -1.734 25588 1974 1 3 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.256 -2.896 25588 1975 1 3 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.571 -4.710 25588 1976 1 3 . 1 1 63 63 ILE H H 63 8.905 8.905 8.652 0.253 25588 1977 1 3 . 1 1 64 64 ASP N N 64 128.200 128.200 126.194 2.006 25588 1978 1 3 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.732 0.610 25588 1979 1 3 . 1 1 64 64 ASP C C 64 173.700 173.700 177.182 -3.482 25588 1980 1 3 . 1 1 64 64 ASP CA C 64 49.470 49.470 53.649 -4.179 25588 1981 1 3 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.509 -1.859 25588 1982 1 3 . 1 1 64 64 ASP H H 64 8.778 8.778 8.439 0.339 25588 1983 1 3 . 1 1 65 65 PHE N N 65 118.700 118.700 120.388 -1.688 25588 1984 1 3 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.328 -2.308 25588 1985 1 3 . 1 1 65 65 PHE H H 65 8.903 8.903 9.035 -0.132 25588 1986 1 3 . 1 1 66 66 PRO C C 66 177.400 177.400 178.852 -1.452 25588 1987 1 3 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.359 -2.398 25588 1988 1 3 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.438 -3.378 25588 1989 1 3 . 1 1 67 67 GLU N N 67 117.600 117.600 117.689 -0.089 25588 1990 1 3 . 1 1 67 67 GLU C C 67 176.100 176.100 178.837 -2.737 25588 1991 1 3 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.201 -3.131 25588 1992 1 3 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.279 -2.529 25588 1993 1 3 . 1 1 67 67 GLU H H 67 7.894 7.894 8.759 -0.865 25588 1994 1 3 . 1 1 68 68 PHE N N 68 123.500 123.500 122.482 1.018 25588 1995 1 3 . 1 1 68 68 PHE C C 68 174.400 174.400 176.897 -2.497 25588 1996 1 3 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.776 -3.166 25588 1997 1 3 . 1 1 68 68 PHE CB C 68 37.520 37.520 39.044 -1.524 25588 1998 1 3 . 1 1 68 68 PHE H H 68 8.826 8.826 7.926 0.900 25588 1999 1 3 . 1 1 69 69 LEU N N 69 119.000 119.000 118.518 0.482 25588 2000 1 3 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.787 -0.453 25588 2001 1 3 . 1 1 69 69 LEU C C 69 176.600 176.600 179.136 -2.536 25588 2002 1 3 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.123 -2.772 25588 2003 1 3 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.617 -3.437 25588 2004 1 3 . 1 1 69 69 LEU H H 69 8.321 8.321 8.482 -0.161 25588 2005 1 3 . 1 1 70 70 THR N N 70 115.500 115.500 115.693 -0.193 25588 2006 1 3 . 1 1 70 70 THR HA H 70 4.317 4.317 3.908 0.409 25588 2007 1 3 . 1 1 70 70 THR C C 70 173.400 173.400 176.380 -2.980 25588 2008 1 3 . 1 1 70 70 THR CA C 70 63.720 63.720 66.838 -3.118 25588 2009 1 3 . 1 1 70 70 THR CB C 70 65.630 65.630 68.547 -2.917 25588 2010 1 3 . 1 1 70 70 THR H H 70 7.476 7.476 7.731 -0.255 25588 2011 1 3 . 1 1 71 71 MET N N 71 121.700 121.700 121.281 0.419 25588 2012 1 3 . 1 1 71 71 MET HA H 71 3.758 3.758 4.027 -0.269 25588 2013 1 3 . 1 1 71 71 MET C C 71 175.600 175.600 177.768 -2.168 25588 2014 1 3 . 1 1 71 71 MET CA C 71 56.370 56.370 59.240 -2.870 25588 2015 1 3 . 1 1 71 71 MET CB C 71 30.590 30.590 32.648 -2.058 25588 2016 1 3 . 1 1 71 71 MET H H 71 7.774 7.774 8.585 -0.811 25588 2017 1 3 . 1 1 72 72 MET N N 72 116.900 116.900 117.581 -0.681 25588 2018 1 3 . 1 1 72 72 MET HA H 72 3.993 3.993 4.014 -0.021 25588 2019 1 3 . 1 1 72 72 MET C C 72 175.900 175.900 178.426 -2.526 25588 2020 1 3 . 1 1 72 72 MET CA C 72 53.200 53.200 57.468 -4.268 25588 2021 1 3 . 1 1 72 72 MET CB C 72 28.520 28.520 31.012 -2.493 25588 2022 1 3 . 1 1 72 72 MET H H 72 8.082 8.082 8.098 -0.016 25588 2023 1 3 . 1 1 73 73 ALA N N 73 122.300 122.300 122.872 -0.572 25588 2024 1 3 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.966 0.108 25588 2025 1 3 . 1 1 73 73 ALA C C 73 177.200 177.200 179.396 -2.196 25588 2026 1 3 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.053 -3.083 25588 2027 1 3 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.390 -2.650 25588 2028 1 3 . 1 1 73 73 ALA H H 73 8.149 8.149 8.338 -0.189 25588 2029 1 3 . 1 1 74 74 ARG N N 74 116.600 116.600 117.043 -0.443 25588 2030 1 3 . 1 1 74 74 ARG C C 74 175.200 175.200 178.967 -3.767 25588 2031 1 3 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.536 -2.977 25588 2032 1 3 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.345 -2.695 25588 2033 1 3 . 1 1 74 74 ARG H H 74 7.564 7.564 7.696 -0.132 25588 2034 1 3 . 1 1 75 75 LYS N N 75 118.800 118.800 117.771 1.029 25588 2035 1 3 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.179 0.016 25588 2036 1 3 . 1 1 75 75 LYS C C 75 175.100 175.100 177.263 -2.163 25588 2037 1 3 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.850 -3.120 25588 2038 1 3 . 1 1 75 75 LYS H H 75 7.668 7.668 8.084 -0.416 25588 2039 1 3 . 1 1 76 76 MET N N 76 118.300 118.300 119.028 -0.728 25588 2040 1 3 . 1 1 76 76 MET HA H 76 4.331 4.331 4.582 -0.251 25588 2041 1 3 . 1 1 76 76 MET C C 76 173.900 173.900 174.965 -1.065 25588 2042 1 3 . 1 1 76 76 MET CA C 76 54.010 54.010 53.266 0.744 25588 2043 1 3 . 1 1 76 76 MET H H 76 7.861 7.861 8.209 -0.348 25588 2044 1 3 . 1 1 77 77 LYS N N 77 120.200 120.200 123.604 -3.404 25588 2045 1 3 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.327 -0.029 25588 2046 1 3 . 1 1 77 77 LYS C C 77 173.800 173.800 176.752 -2.952 25588 2047 1 3 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.813 -1.743 25588 2048 1 3 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.633 -3.263 25588 2049 1 3 . 1 1 77 77 LYS H H 77 7.797 7.797 8.386 -0.589 25588 2050 1 3 . 1 1 78 78 ASP N N 78 121.400 121.400 123.046 -1.646 25588 2051 1 3 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.377 0.296 25588 2052 1 3 . 1 1 78 78 ASP C C 78 173.900 173.900 177.510 -3.610 25588 2053 1 3 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.422 -3.522 25588 2054 1 3 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.353 -2.844 25588 2055 1 3 . 1 1 78 78 ASP H H 78 8.191 8.191 8.560 -0.369 25588 2056 1 3 . 1 1 79 79 THR N N 79 114.600 114.600 109.706 4.894 25588 2057 1 3 . 1 1 79 79 THR HA H 79 4.263 4.263 4.145 0.118 25588 2058 1 3 . 1 1 79 79 THR C C 79 171.900 171.900 175.451 -3.551 25588 2059 1 3 . 1 1 79 79 THR CA C 79 59.510 59.510 64.557 -5.047 25588 2060 1 3 . 1 1 79 79 THR CB C 79 67.090 67.090 68.765 -1.675 25588 2061 1 3 . 1 1 79 79 THR H H 79 8.063 8.063 8.345 -0.282 25588 2062 1 3 . 1 1 80 80 ASP N N 80 123.100 123.100 121.908 1.192 25588 2063 1 3 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.539 0.173 25588 2064 1 3 . 1 1 80 80 ASP C C 80 173.900 173.900 177.919 -4.019 25588 2065 1 3 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.117 -4.217 25588 2066 1 3 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.585 -0.915 25588 2067 1 3 . 1 1 80 80 ASP H H 80 8.423 8.423 8.650 -0.227 25588 2068 1 3 . 1 1 81 81 SER N N 81 116.900 116.900 115.986 0.914 25588 2069 1 3 . 1 1 81 81 SER HA H 81 4.498 4.498 4.179 0.319 25588 2070 1 3 . 1 1 81 81 SER C C 81 172.700 172.700 175.931 -3.231 25588 2071 1 3 . 1 1 81 81 SER CA C 81 56.360 56.360 61.124 -4.764 25588 2072 1 3 . 1 1 81 81 SER CB C 81 61.310 61.310 62.803 -1.493 25588 2073 1 3 . 1 1 81 81 SER H H 81 8.357 8.357 7.653 0.704 25588 2074 1 3 . 1 1 82 82 GLU N N 82 122.800 122.800 122.557 0.243 25588 2075 1 3 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.840 0.288 25588 2076 1 3 . 1 1 82 82 GLU C C 82 175.300 175.300 178.553 -3.253 25588 2077 1 3 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.794 -3.524 25588 2078 1 3 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.521 -2.771 25588 2079 1 3 . 1 1 82 82 GLU H H 82 8.532 8.532 7.760 0.772 25588 2080 1 3 . 1 1 83 83 GLU N N 83 119.400 119.400 116.745 2.655 25588 2081 1 3 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.120 -0.086 25588 2082 1 3 . 1 1 83 83 GLU C C 83 176.000 176.000 179.136 -3.136 25588 2083 1 3 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.841 -1.771 25588 2084 1 3 . 1 1 83 83 GLU H H 83 8.365 8.365 7.651 0.714 25588 2085 1 3 . 1 1 84 84 GLU N N 84 118.700 118.700 119.404 -0.704 25588 2086 1 3 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.132 0.015 25588 2087 1 3 . 1 1 84 84 GLU C C 84 177.000 177.000 179.386 -2.386 25588 2088 1 3 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.521 -1.851 25588 2089 1 3 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.529 -2.729 25588 2090 1 3 . 1 1 84 84 GLU H H 84 8.073 8.073 7.604 0.469 25588 2091 1 3 . 1 1 85 85 ILE N N 85 122.200 122.200 119.115 3.085 25588 2092 1 3 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.694 0.300 25588 2093 1 3 . 1 1 85 85 ILE C C 85 175.300 175.300 177.446 -2.146 25588 2094 1 3 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.609 -2.478 25588 2095 1 3 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.706 -3.206 25588 2096 1 3 . 1 1 85 85 ILE H H 85 8.043 8.043 8.958 -0.915 25588 2097 1 3 . 1 1 86 86 ARG N N 86 121.700 121.700 119.841 1.859 25588 2098 1 3 . 1 1 86 86 ARG C C 86 176.700 176.700 178.225 -1.525 25588 2099 1 3 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.873 -2.513 25588 2100 1 3 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.806 -2.756 25588 2101 1 3 . 1 1 86 86 ARG H H 86 8.415 8.415 7.702 0.713 25588 2102 1 3 . 1 1 87 87 GLU N N 87 118.600 118.600 118.577 0.023 25588 2103 1 3 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.134 -0.025 25588 2104 1 3 . 1 1 87 87 GLU C C 87 175.900 175.900 178.196 -2.296 25588 2105 1 3 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.960 -2.530 25588 2106 1 3 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.306 -2.756 25588 2107 1 3 . 1 1 87 87 GLU H H 87 8.056 8.056 7.732 0.324 25588 2108 1 3 . 1 1 88 88 ALA N N 88 122.000 122.000 120.829 1.171 25588 2109 1 3 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.162 0.056 25588 2110 1 3 . 1 1 88 88 ALA C C 88 176.600 176.600 179.156 -2.556 25588 2111 1 3 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.409 -1.959 25588 2112 1 3 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.028 -2.728 25588 2113 1 3 . 1 1 88 88 ALA H H 88 7.934 7.934 7.519 0.415 25588 2114 1 3 . 1 1 89 89 PHE N N 89 118.900 118.900 120.333 -1.433 25588 2115 1 3 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.201 -1.050 25588 2116 1 3 . 1 1 89 89 PHE C C 89 173.800 173.800 176.898 -3.098 25588 2117 1 3 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.194 -1.694 25588 2118 1 3 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.059 -2.689 25588 2119 1 3 . 1 1 89 89 PHE H H 89 8.537 8.537 7.804 0.733 25588 2120 1 3 . 1 1 90 90 ARG N N 90 115.600 115.600 118.922 -3.322 25588 2121 1 3 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.684 0.180 25588 2122 1 3 . 1 1 90 90 ARG C C 90 175.500 175.500 178.034 -2.534 25588 2123 1 3 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.250 -3.140 25588 2124 1 3 . 1 1 90 90 ARG CB C 90 27.650 27.650 29.968 -2.318 25588 2125 1 3 . 1 1 90 90 ARG H H 90 7.656 7.656 7.875 -0.219 25588 2126 1 3 . 1 1 91 91 VAL N N 91 118.300 118.300 118.394 -0.094 25588 2127 1 3 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.665 -0.178 25588 2128 1 3 . 1 1 91 91 VAL C C 91 174.700 174.700 177.947 -3.247 25588 2129 1 3 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.147 -3.137 25588 2130 1 3 . 1 1 91 91 VAL H H 91 7.496 7.496 7.316 0.180 25588 2131 1 3 . 1 1 92 92 PHE N N 92 116.300 116.300 118.359 -2.059 25588 2132 1 3 . 1 1 92 92 PHE C C 92 174.300 174.300 176.136 -1.836 25588 2133 1 3 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.249 -2.839 25588 2134 1 3 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.651 -2.030 25588 2135 1 3 . 1 1 92 92 PHE H H 92 7.460 7.460 8.314 -0.854 25588 2136 1 3 . 1 1 93 93 ASP N N 93 116.900 116.900 117.497 -0.597 25588 2137 1 3 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.651 -0.147 25588 2138 1 3 . 1 1 93 93 ASP C C 93 174.900 174.900 175.957 -1.057 25588 2139 1 3 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.496 -2.957 25588 2140 1 3 . 1 1 93 93 ASP H H 93 7.821 7.821 8.200 -0.379 25588 2141 1 3 . 1 1 94 94 LYS N N 94 125.900 125.900 124.666 1.234 25588 2142 1 3 . 1 1 94 94 LYS HA H 94 3.888 3.888 3.969 -0.081 25588 2143 1 3 . 1 1 94 94 LYS C C 94 175.700 175.700 177.760 -2.060 25588 2144 1 3 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.559 -2.149 25588 2145 1 3 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.597 -2.427 25588 2146 1 3 . 1 1 94 94 LYS H H 94 7.689 7.689 8.309 -0.620 25588 2147 1 3 . 1 1 95 95 ASP N N 95 114.000 114.000 114.640 -0.640 25588 2148 1 3 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.444 0.110 25588 2149 1 3 . 1 1 95 95 ASP C C 95 175.100 175.100 177.904 -2.804 25588 2150 1 3 . 1 1 95 95 ASP CA C 95 50.320 50.320 54.855 -4.535 25588 2151 1 3 . 1 1 95 95 ASP CB C 95 36.990 36.990 41.028 -4.038 25588 2152 1 3 . 1 1 95 95 ASP H H 95 8.179 8.179 7.856 0.323 25588 2153 1 3 . 1 1 96 96 GLY N N 96 109.300 109.300 108.725 0.575 25588 2154 1 3 . 1 1 96 96 GLY C C 96 172.500 172.500 175.615 -3.115 25588 2155 1 3 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.883 -2.384 25588 2156 1 3 . 1 1 96 96 GLY H H 96 7.765 7.765 8.120 -0.355 25588 2157 1 3 . 1 1 97 97 ASN N N 97 119.600 119.600 123.479 -3.879 25588 2158 1 3 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.642 0.002 25588 2159 1 3 . 1 1 97 97 ASN C C 97 173.400 173.400 175.603 -2.203 25588 2160 1 3 . 1 1 97 97 ASN CA C 97 50.070 50.070 53.713 -3.643 25588 2161 1 3 . 1 1 97 97 ASN CB C 97 35.520 35.520 39.060 -3.540 25588 2162 1 3 . 1 1 97 97 ASN H H 97 8.302 8.302 8.282 0.020 25588 2163 1 3 . 1 1 98 98 GLY N N 98 113.000 113.000 106.183 6.817 25588 2164 1 3 . 1 1 98 98 GLY C C 98 169.800 169.800 172.331 -2.531 25588 2165 1 3 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.283 -1.773 25588 2166 1 3 . 1 1 98 98 GLY H H 98 10.620 10.620 7.606 3.014 25588 2167 1 3 . 1 1 99 99 TYR N N 99 115.900 115.900 117.733 -1.833 25588 2168 1 3 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.731 0.305 25588 2169 1 3 . 1 1 99 99 TYR C C 99 171.900 171.900 175.885 -3.985 25588 2170 1 3 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.855 -3.465 25588 2171 1 3 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.088 -0.558 25588 2172 1 3 . 1 1 99 99 TYR H H 99 7.597 7.597 7.877 -0.280 25588 2173 1 3 . 1 1 100 100 ILE N N 100 127.400 127.400 124.135 3.265 25588 2174 1 3 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.336 0.443 25588 2175 1 3 . 1 1 100 100 ILE C C 100 172.900 172.900 176.216 -3.316 25588 2176 1 3 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.188 -3.528 25588 2177 1 3 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.976 -3.026 25588 2178 1 3 . 1 1 100 100 ILE H H 100 10.120 10.120 8.370 1.750 25588 2179 1 3 . 1 1 101 101 SER N N 101 123.800 123.800 123.470 0.330 25588 2180 1 3 . 1 1 101 101 SER C C 101 172.600 172.600 175.461 -2.861 25588 2181 1 3 . 1 1 101 101 SER CA C 101 53.180 53.180 57.057 -3.877 25588 2182 1 3 . 1 1 101 101 SER CB C 101 63.970 63.970 65.361 -1.391 25588 2183 1 3 . 1 1 101 101 SER H H 101 8.944 8.944 8.520 0.424 25588 2184 1 3 . 1 1 102 102 ALA N N 102 122.900 122.900 123.484 -0.584 25588 2185 1 3 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.083 -0.169 25588 2186 1 3 . 1 1 102 102 ALA C C 102 176.700 176.700 179.000 -2.300 25588 2187 1 3 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.276 -1.976 25588 2188 1 3 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.434 -2.984 25588 2189 1 3 . 1 1 102 102 ALA H H 102 9.178 9.178 8.969 0.209 25588 2190 1 3 . 1 1 103 103 ALA N N 103 118.400 118.400 121.560 -3.160 25588 2191 1 3 . 1 1 103 103 ALA C C 103 178.700 178.700 180.000 -1.300 25588 2192 1 3 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.133 -2.583 25588 2193 1 3 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.153 -2.273 25588 2194 1 3 . 1 1 103 103 ALA H H 103 8.205 8.205 7.776 0.429 25588 2195 1 3 . 1 1 104 104 GLU N N 104 119.700 119.700 118.628 1.072 25588 2196 1 3 . 1 1 104 104 GLU C C 104 176.600 176.600 179.062 -2.462 25588 2197 1 3 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.981 -2.341 25588 2198 1 3 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.629 -2.989 25588 2199 1 3 . 1 1 104 104 GLU H H 104 7.835 7.835 7.608 0.227 25588 2200 1 3 . 1 1 105 105 LEU N N 105 121.000 121.000 121.051 -0.051 25588 2201 1 3 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.068 0.031 25588 2202 1 3 . 1 1 105 105 LEU C C 105 175.800 175.800 178.224 -2.424 25588 2203 1 3 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.755 -2.095 25588 2204 1 3 . 1 1 105 105 LEU CB C 105 34.560 34.560 42.007 -7.447 25588 2205 1 3 . 1 1 105 105 LEU H H 105 8.571 8.571 8.190 0.381 25588 2206 1 3 . 1 1 106 106 ARG N N 106 117.500 117.500 119.032 -1.532 25588 2207 1 3 . 1 1 106 106 ARG C C 106 176.000 176.000 178.082 -2.082 25588 2208 1 3 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.091 -2.861 25588 2209 1 3 . 1 1 106 106 ARG H H 106 8.522 8.522 8.465 0.057 25588 2210 1 3 . 1 1 107 107 HIS N N 107 119.000 119.000 117.835 1.165 25588 2211 1 3 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.311 -0.025 25588 2212 1 3 . 1 1 107 107 HIS C C 107 174.900 174.900 177.486 -2.586 25588 2213 1 3 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.940 -2.850 25588 2214 1 3 . 1 1 107 107 HIS H H 107 7.889 7.889 7.796 0.093 25588 2215 1 3 . 1 1 108 108 VAL N N 108 118.900 118.900 119.516 -0.616 25588 2216 1 3 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.669 -0.184 25588 2217 1 3 . 1 1 108 108 VAL C C 108 175.400 175.400 178.065 -2.665 25588 2218 1 3 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.006 -2.486 25588 2219 1 3 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.489 -2.289 25588 2220 1 3 . 1 1 108 108 VAL H H 108 7.958 7.958 7.369 0.589 25588 2221 1 3 . 1 1 109 109 MET N N 109 116.400 116.400 117.997 -1.597 25588 2222 1 3 . 1 1 109 109 MET HA H 109 4.331 4.331 4.175 0.156 25588 2223 1 3 . 1 1 109 109 MET C C 109 176.000 176.000 178.824 -2.824 25588 2224 1 3 . 1 1 109 109 MET CA C 109 54.910 54.910 57.893 -2.983 25588 2225 1 3 . 1 1 109 109 MET CB C 109 28.750 28.750 31.208 -2.458 25588 2226 1 3 . 1 1 109 109 MET H H 109 8.247 8.247 8.114 0.133 25588 2227 1 3 . 1 1 110 110 THR N N 110 114.900 114.900 115.183 -0.283 25588 2228 1 3 . 1 1 110 110 THR HA H 110 4.152 4.152 3.936 0.216 25588 2229 1 3 . 1 1 110 110 THR C C 110 175.000 175.000 176.294 -1.294 25588 2230 1 3 . 1 1 110 110 THR CA C 110 63.270 63.270 66.356 -3.086 25588 2231 1 3 . 1 1 110 110 THR CB C 110 66.230 66.230 68.097 -1.867 25588 2232 1 3 . 1 1 110 110 THR H H 110 8.125 8.125 8.236 -0.111 25588 2233 1 3 . 1 1 111 111 ASN N N 111 122.200 122.200 119.193 3.007 25588 2234 1 3 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.394 0.043 25588 2235 1 3 . 1 1 111 111 ASN C C 111 173.700 173.700 177.498 -3.798 25588 2236 1 3 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.555 -2.485 25588 2237 1 3 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.230 -2.410 25588 2238 1 3 . 1 1 111 111 ASN H H 111 7.867 7.867 7.463 0.404 25588 2239 1 3 . 1 1 112 112 LEU N N 112 119.100 119.100 119.017 0.083 25588 2240 1 3 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.120 0.213 25588 2241 1 3 . 1 1 112 112 LEU C C 112 174.700 174.700 176.820 -2.120 25588 2242 1 3 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.304 -3.544 25588 2243 1 3 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.650 -3.200 25588 2244 1 3 . 1 1 112 112 LEU H H 112 7.850 7.850 7.274 0.576 25588 2245 1 3 . 1 1 113 113 GLY N N 113 106.800 106.800 104.317 2.483 25588 2246 1 3 . 1 1 113 113 GLY C C 113 171.700 171.700 172.414 -0.714 25588 2247 1 3 . 1 1 113 113 GLY CA C 113 42.790 42.790 44.932 -2.143 25588 2248 1 3 . 1 1 113 113 GLY H H 113 7.830 7.830 7.346 0.484 25588 2249 1 3 . 1 1 114 114 GLU N N 114 120.600 120.600 120.494 0.106 25588 2250 1 3 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.650 -0.250 25588 2251 1 3 . 1 1 114 114 GLU C C 114 172.800 172.800 176.967 -4.167 25588 2252 1 3 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.043 -3.373 25588 2253 1 3 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.311 -2.350 25588 2254 1 3 . 1 1 114 114 GLU H H 114 7.914 7.914 8.688 -0.774 25588 2255 1 3 . 1 1 115 115 LYS N N 115 124.000 124.000 119.753 4.247 25588 2256 1 3 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.088 0.269 25588 2257 1 3 . 1 1 115 115 LYS C C 115 173.000 173.000 176.192 -3.192 25588 2258 1 3 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.418 -5.398 25588 2259 1 3 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.710 -3.300 25588 2260 1 3 . 1 1 115 115 LYS H H 115 8.505 8.505 8.505 0.000 25588 2261 1 3 . 1 1 116 116 LEU N N 116 125.000 125.000 116.677 8.323 25588 2262 1 3 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.490 0.269 25588 2263 1 3 . 1 1 116 116 LEU C C 116 175.300 175.300 176.962 -1.662 25588 2264 1 3 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.955 -1.535 25588 2265 1 3 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.835 -1.725 25588 2266 1 3 . 1 1 116 116 LEU H H 116 8.076 8.076 7.528 0.548 25588 2267 1 3 . 1 1 117 117 THR N N 117 114.500 114.500 111.204 3.296 25588 2268 1 3 . 1 1 117 117 THR HA H 117 4.453 4.453 4.197 0.256 25588 2269 1 3 . 1 1 117 117 THR C C 117 172.800 172.800 174.435 -1.635 25588 2270 1 3 . 1 1 117 117 THR CA C 117 57.970 57.970 62.349 -4.379 25588 2271 1 3 . 1 1 117 117 THR CB C 117 68.610 68.610 69.673 -1.063 25588 2272 1 3 . 1 1 117 117 THR H H 117 9.116 9.116 8.380 0.736 25588 2273 1 3 . 1 1 118 118 ASP N N 118 121.000 121.000 119.284 1.716 25588 2274 1 3 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.608 -0.412 25588 2275 1 3 . 1 1 118 118 ASP C C 118 175.900 175.900 177.657 -1.757 25588 2276 1 3 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.563 -1.203 25588 2277 1 3 . 1 1 118 118 ASP CB C 118 37.110 37.110 41.014 -3.904 25588 2278 1 3 . 1 1 118 118 ASP H H 118 8.847 8.847 8.626 0.221 25588 2279 1 3 . 1 1 119 119 GLU N N 119 119.100 119.100 119.475 -0.375 25588 2280 1 3 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.451 -0.381 25588 2281 1 3 . 1 1 119 119 GLU C C 119 176.500 176.500 177.532 -1.032 25588 2282 1 3 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.640 -1.360 25588 2283 1 3 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.604 -3.174 25588 2284 1 3 . 1 1 119 119 GLU H H 119 8.626 8.626 8.444 0.182 25588 2285 1 3 . 1 1 120 120 GLU N N 120 120.500 120.500 118.429 2.071 25588 2286 1 3 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.059 -0.069 25588 2287 1 3 . 1 1 120 120 GLU C C 120 177.400 177.400 178.702 -1.302 25588 2288 1 3 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.330 -2.740 25588 2289 1 3 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.091 -0.301 25588 2290 1 3 . 1 1 120 120 GLU H H 120 7.724 7.724 8.830 -1.106 25588 2291 1 3 . 1 1 121 121 VAL N N 121 121.100 121.100 115.386 5.714 25588 2292 1 3 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.749 -0.162 25588 2293 1 3 . 1 1 121 121 VAL C C 121 174.600 174.600 177.745 -3.145 25588 2294 1 3 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.522 -1.212 25588 2295 1 3 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.236 -2.856 25588 2296 1 3 . 1 1 121 121 VAL H H 121 8.062 8.062 7.927 0.135 25588 2297 1 3 . 1 1 122 122 ASP N N 122 119.600 119.600 121.834 -2.234 25588 2298 1 3 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.311 -0.002 25588 2299 1 3 . 1 1 122 122 ASP C C 122 176.500 176.500 178.905 -2.405 25588 2300 1 3 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.390 -2.390 25588 2301 1 3 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.013 -2.113 25588 2302 1 3 . 1 1 122 122 ASP H H 122 8.007 8.007 7.686 0.321 25588 2303 1 3 . 1 1 123 123 GLU N N 123 119.300 119.300 118.968 0.332 25588 2304 1 3 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.082 -0.084 25588 2305 1 3 . 1 1 123 123 GLU C C 123 175.400 175.400 178.807 -3.407 25588 2306 1 3 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.504 -1.844 25588 2307 1 3 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.378 -2.588 25588 2308 1 3 . 1 1 123 123 GLU H H 123 7.967 7.967 8.038 -0.071 25588 2309 1 3 . 1 1 124 124 MET N N 124 119.600 119.600 121.103 -1.503 25588 2310 1 3 . 1 1 124 124 MET HA H 124 4.033 4.033 4.748 -0.715 25588 2311 1 3 . 1 1 124 124 MET C C 124 176.500 176.500 178.627 -2.127 25588 2312 1 3 . 1 1 124 124 MET CA C 124 56.970 56.970 58.269 -1.299 25588 2313 1 3 . 1 1 124 124 MET CB C 124 30.470 30.470 32.486 -2.016 25588 2314 1 3 . 1 1 124 124 MET H H 124 7.789 7.789 8.244 -0.455 25588 2315 1 3 . 1 1 125 125 ILE N N 125 118.500 118.500 116.790 1.710 25588 2316 1 3 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.725 -0.226 25588 2317 1 3 . 1 1 125 125 ILE C C 125 174.600 174.600 177.951 -3.351 25588 2318 1 3 . 1 1 125 125 ILE CA C 125 61.190 61.190 64.006 -2.816 25588 2319 1 3 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.605 -4.095 25588 2320 1 3 . 1 1 125 125 ILE H H 125 7.940 7.940 8.055 -0.115 25588 2321 1 3 . 1 1 126 126 ARG N N 126 118.300 118.300 119.564 -1.264 25588 2322 1 3 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.109 -0.101 25588 2323 1 3 . 1 1 126 126 ARG C C 126 176.800 176.800 178.351 -1.551 25588 2324 1 3 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.058 -1.958 25588 2325 1 3 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.467 -2.897 25588 2326 1 3 . 1 1 126 126 ARG H H 126 8.168 8.168 7.478 0.690 25588 2327 1 3 . 1 1 127 127 GLU N N 127 116.300 116.300 119.358 -3.058 25588 2328 1 3 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.082 -0.099 25588 2329 1 3 . 1 1 127 127 GLU C C 127 174.700 174.700 177.581 -2.881 25588 2330 1 3 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.777 -2.897 25588 2331 1 3 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.488 -2.547 25588 2332 1 3 . 1 1 127 127 GLU H H 127 7.918 7.918 8.375 -0.457 25588 2333 1 3 . 1 1 128 128 ALA N N 128 119.100 119.100 119.386 -0.286 25588 2334 1 3 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.059 0.359 25588 2335 1 3 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.795 -4.285 25588 2336 1 3 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.861 -0.121 25588 2337 1 3 . 1 1 128 128 ALA H H 128 7.354 7.354 7.517 -0.163 25588 2338 1 3 . 1 1 129 129 ASP N N 129 117.400 117.400 117.609 -0.209 25588 2339 1 3 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.658 -0.156 25588 2340 1 3 . 1 1 129 129 ASP C C 129 173.400 173.400 176.787 -3.387 25588 2341 1 3 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.010 -1.600 25588 2342 1 3 . 1 1 129 129 ASP CB C 129 37.700 37.700 41.693 -3.993 25588 2343 1 3 . 1 1 129 129 ASP H H 129 7.871 7.871 7.615 0.256 25588 2344 1 3 . 1 1 130 130 ILE N N 130 128.000 128.000 120.773 7.227 25588 2345 1 3 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.087 -0.170 25588 2346 1 3 . 1 1 130 130 ILE C C 130 175.300 175.300 176.276 -0.976 25588 2347 1 3 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.025 -1.315 25588 2348 1 3 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.560 -1.750 25588 2349 1 3 . 1 1 130 130 ILE H H 130 8.384 8.384 8.471 -0.087 25588 2350 1 3 . 1 1 131 131 ASP N N 131 116.800 116.800 122.647 -5.847 25588 2351 1 3 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.512 0.038 25588 2352 1 3 . 1 1 131 131 ASP C C 131 175.600 175.600 177.615 -2.015 25588 2353 1 3 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.106 -4.886 25588 2354 1 3 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.056 -3.826 25588 2355 1 3 . 1 1 131 131 ASP H H 131 8.281 8.281 9.176 -0.895 25588 2356 1 3 . 1 1 132 132 GLY N N 132 108.500 108.500 106.944 1.556 25588 2357 1 3 . 1 1 132 132 GLY C C 132 172.600 172.600 175.026 -2.426 25588 2358 1 3 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.169 -1.319 25588 2359 1 3 . 1 1 132 132 GLY H H 132 7.575 7.575 8.934 -1.359 25588 2360 1 3 . 1 1 133 133 ASP N N 133 120.800 120.800 119.022 1.778 25588 2361 1 3 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.559 -0.095 25588 2362 1 3 . 1 1 133 133 ASP C C 133 174.900 174.900 177.130 -2.230 25588 2363 1 3 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.496 -2.506 25588 2364 1 3 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.815 -3.225 25588 2365 1 3 . 1 1 133 133 ASP H H 133 8.326 8.326 7.975 0.351 25588 2366 1 3 . 1 1 134 134 GLY N N 134 112.900 112.900 109.986 2.914 25588 2367 1 3 . 1 1 134 134 GLY C C 134 170.200 170.200 173.406 -3.206 25588 2368 1 3 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.555 -2.505 25588 2369 1 3 . 1 1 134 134 GLY H H 134 10.310 10.310 7.843 2.467 25588 2370 1 3 . 1 1 135 135 GLN N N 135 115.400 115.400 121.195 -5.795 25588 2371 1 3 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.707 0.152 25588 2372 1 3 . 1 1 135 135 GLN C C 135 172.100 172.100 173.539 -1.439 25588 2373 1 3 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.361 -3.831 25588 2374 1 3 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.621 -2.601 25588 2375 1 3 . 1 1 135 135 GLN H H 135 7.937 7.937 8.178 -0.241 25588 2376 1 3 . 1 1 136 136 VAL N N 136 125.500 125.500 121.901 3.599 25588 2377 1 3 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.677 0.513 25588 2378 1 3 . 1 1 136 136 VAL C C 136 173.200 173.200 174.702 -1.502 25588 2379 1 3 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.780 -1.680 25588 2380 1 3 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.739 -3.819 25588 2381 1 3 . 1 1 136 136 VAL H H 136 9.112 9.112 8.479 0.633 25588 2382 1 3 . 1 1 137 137 ASN N N 137 129.000 129.000 123.171 5.829 25588 2383 1 3 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.304 -0.072 25588 2384 1 3 . 1 1 137 137 ASN C C 137 172.200 172.200 175.503 -3.303 25588 2385 1 3 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.712 -3.252 25588 2386 1 3 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.863 -6.173 25588 2387 1 3 . 1 1 137 137 ASN H H 137 9.509 9.509 8.488 1.021 25588 2388 1 3 . 1 1 138 138 TYR N N 138 118.400 118.400 123.761 -5.361 25588 2389 1 3 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.316 -0.892 25588 2390 1 3 . 1 1 138 138 TYR C C 138 173.500 173.500 176.893 -3.393 25588 2391 1 3 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.711 -2.681 25588 2392 1 3 . 1 1 138 138 TYR H H 138 8.420 8.420 9.269 -0.849 25588 2393 1 3 . 1 1 139 139 GLU N N 139 118.400 118.400 116.747 1.653 25588 2394 1 3 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.857 -0.216 25588 2395 1 3 . 1 1 139 139 GLU C C 139 177.900 177.900 178.826 -0.926 25588 2396 1 3 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.060 -2.320 25588 2397 1 3 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.671 -2.281 25588 2398 1 3 . 1 1 139 139 GLU H H 139 8.066 8.066 8.988 -0.922 25588 2399 1 3 . 1 1 140 140 GLU N N 140 119.900 119.900 119.958 -0.058 25588 2400 1 3 . 1 1 140 140 GLU C C 140 176.700 176.700 178.577 -1.877 25588 2401 1 3 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.607 -2.707 25588 2402 1 3 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.617 -2.417 25588 2403 1 3 . 1 1 140 140 GLU H H 140 8.728 8.728 8.041 0.687 25588 2404 1 3 . 1 1 141 141 PHE N N 141 124.600 124.600 120.351 4.249 25588 2405 1 3 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.079 -0.095 25588 2406 1 3 . 1 1 141 141 PHE C C 141 174.200 174.200 177.528 -3.328 25588 2407 1 3 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.455 -3.495 25588 2408 1 3 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.536 -1.266 25588 2409 1 3 . 1 1 141 141 PHE H H 141 8.920 8.920 7.640 1.280 25588 2410 1 3 . 1 1 142 142 VAL N N 142 119.300 119.300 118.224 1.076 25588 2411 1 3 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.379 -0.258 25588 2412 1 3 . 1 1 142 142 VAL C C 142 176.900 176.900 177.672 -0.772 25588 2413 1 3 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.919 -2.489 25588 2414 1 3 . 1 1 142 142 VAL H H 142 8.536 8.536 7.386 1.150 25588 2415 1 3 . 1 1 143 143 GLN N N 143 118.200 118.200 117.501 0.699 25588 2416 1 3 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.015 -0.164 25588 2417 1 3 . 1 1 143 143 GLN C C 143 175.300 175.300 178.259 -2.959 25588 2418 1 3 . 1 1 143 143 GLN CA C 143 56.260 56.260 58.242 -1.982 25588 2419 1 3 . 1 1 143 143 GLN H H 143 7.404 7.404 7.347 0.057 25588 2420 1 3 . 1 1 144 144 MET N N 144 119.400 119.400 118.460 0.940 25588 2421 1 3 . 1 1 144 144 MET HA H 144 4.107 4.107 4.138 -0.031 25588 2422 1 3 . 1 1 144 144 MET C C 144 175.400 175.400 176.673 -1.273 25588 2423 1 3 . 1 1 144 144 MET CA C 144 55.500 55.500 58.232 -2.732 25588 2424 1 3 . 1 1 144 144 MET CB C 144 30.460 30.460 33.551 -3.091 25588 2425 1 3 . 1 1 144 144 MET H H 144 7.878 7.878 7.852 0.026 25588 2426 1 3 . 1 1 145 145 MET N N 145 115.000 115.000 117.784 -2.784 25588 2427 1 3 . 1 1 145 145 MET HA H 145 4.281 4.281 4.474 -0.193 25588 2428 1 3 . 1 1 145 145 MET C C 145 174.900 174.900 174.860 0.040 25588 2429 1 3 . 1 1 145 145 MET CA C 145 52.740 52.740 56.151 -3.412 25588 2430 1 3 . 1 1 145 145 MET H H 145 7.852 7.852 8.129 -0.277 25588 2431 1 3 . 1 1 146 146 THR N N 146 111.100 111.100 118.616 -7.516 25588 2432 1 3 . 1 1 146 146 THR HA H 146 4.306 4.306 4.418 -0.112 25588 2433 1 3 . 1 1 146 146 THR C C 146 171.600 171.600 173.507 -1.907 25588 2434 1 3 . 1 1 146 146 THR CA C 146 59.830 59.830 62.414 -2.584 25588 2435 1 3 . 1 1 146 146 THR CB C 146 67.510 67.510 68.856 -1.346 25588 2436 1 3 . 1 1 146 146 THR H H 146 7.571 7.571 8.426 -0.855 25588 2437 1 3 . 1 1 147 147 ALA N N 147 126.300 126.300 128.456 -2.156 25588 2438 1 3 . 1 1 147 147 ALA HA H 147 4.300 4.300 3.967 0.333 25588 2439 1 3 . 1 1 147 147 ALA C C 147 174.000 174.000 177.448 -3.448 25588 2440 1 3 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.105 -3.915 25588 2441 1 3 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.141 -2.661 25588 2442 1 3 . 1 1 147 147 ALA H H 147 7.723 7.723 7.963 -0.240 25588 2443 1 4 . 1 1 2 2 ASP N N 2 118.400 118.400 120.864 -2.464 25588 2444 1 4 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.639 -0.025 25588 2445 1 4 . 1 1 2 2 ASP C C 2 173.000 173.000 177.076 -4.076 25588 2446 1 4 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.423 -2.403 25588 2447 1 4 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.561 -2.741 25588 2448 1 4 . 1 1 2 2 ASP H H 2 8.311 8.311 8.246 0.065 25588 2449 1 4 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.214 0.140 25588 2450 1 4 . 1 1 3 3 GLN C C 3 173.000 173.000 175.589 -2.589 25588 2451 1 4 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.392 -3.482 25588 2452 1 4 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.240 -2.090 25588 2453 1 4 . 1 1 3 3 GLN H H 3 8.321 8.321 8.562 -0.241 25588 2454 1 4 . 1 1 4 4 LEU N N 4 123.200 123.200 120.920 2.280 25588 2455 1 4 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.613 0.037 25588 2456 1 4 . 1 1 4 4 LEU C C 4 175.100 175.100 175.839 -0.739 25588 2457 1 4 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.530 -2.740 25588 2458 1 4 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.034 -2.174 25588 2459 1 4 . 1 1 4 4 LEU H H 4 8.268 8.268 7.644 0.624 25588 2460 1 4 . 1 1 5 5 THR N N 5 113.000 113.000 116.415 -3.415 25588 2461 1 4 . 1 1 5 5 THR HA H 5 4.754 4.754 4.587 0.167 25588 2462 1 4 . 1 1 5 5 THR C C 5 172.800 172.800 174.942 -2.142 25588 2463 1 4 . 1 1 5 5 THR CA C 5 57.880 57.880 60.331 -2.451 25588 2464 1 4 . 1 1 5 5 THR CB C 5 68.480 68.480 71.471 -2.991 25588 2465 1 4 . 1 1 5 5 THR H H 5 8.682 8.682 8.027 0.655 25588 2466 1 4 . 1 1 6 6 GLU N N 6 120.500 120.500 122.890 -2.390 25588 2467 1 4 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.097 -0.134 25588 2468 1 4 . 1 1 6 6 GLU C C 6 176.800 176.800 178.204 -1.404 25588 2469 1 4 . 1 1 6 6 GLU CA C 6 57.430 57.430 58.880 -1.450 25588 2470 1 4 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.673 -3.153 25588 2471 1 4 . 1 1 6 6 GLU H H 6 8.990 8.990 8.925 0.065 25588 2472 1 4 . 1 1 7 7 GLU N N 7 119.600 119.600 118.708 0.892 25588 2473 1 4 . 1 1 7 7 GLU HA H 7 4.069 4.069 3.992 0.077 25588 2474 1 4 . 1 1 7 7 GLU C C 7 176.500 176.500 179.041 -2.541 25588 2475 1 4 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.349 -1.970 25588 2476 1 4 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.283 -2.853 25588 2477 1 4 . 1 1 7 7 GLU H H 7 8.668 8.668 8.650 0.018 25588 2478 1 4 . 1 1 8 8 GLN N N 8 120.100 120.100 117.927 2.173 25588 2479 1 4 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.079 -0.210 25588 2480 1 4 . 1 1 8 8 GLN C C 8 175.700 175.700 178.961 -3.261 25588 2481 1 4 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.477 -2.527 25588 2482 1 4 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.827 -2.017 25588 2483 1 4 . 1 1 8 8 GLN H H 8 7.721 7.721 7.482 0.239 25588 2484 1 4 . 1 1 9 9 ILE N N 9 119.600 119.600 120.741 -1.141 25588 2485 1 4 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.921 -0.209 25588 2486 1 4 . 1 1 9 9 ILE C C 9 175.100 175.100 177.879 -2.779 25588 2487 1 4 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.721 -1.191 25588 2488 1 4 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.926 -2.846 25588 2489 1 4 . 1 1 9 9 ILE H H 9 8.373 8.373 7.493 0.880 25588 2490 1 4 . 1 1 10 10 ALA N N 10 121.300 121.300 121.617 -0.317 25588 2491 1 4 . 1 1 10 10 ALA C C 10 178.400 178.400 179.053 -0.653 25588 2492 1 4 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.280 -2.490 25588 2493 1 4 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.831 -2.471 25588 2494 1 4 . 1 1 10 10 ALA H H 10 7.984 7.984 8.625 -0.641 25588 2495 1 4 . 1 1 11 11 GLU N N 11 119.500 119.500 119.493 0.007 25588 2496 1 4 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.857 0.290 25588 2497 1 4 . 1 1 11 11 GLU C C 11 177.900 177.900 179.060 -1.160 25588 2498 1 4 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.137 -2.467 25588 2499 1 4 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.167 -2.667 25588 2500 1 4 . 1 1 11 11 GLU H H 11 7.779 7.779 7.588 0.191 25588 2501 1 4 . 1 1 12 12 PHE N N 12 120.200 120.200 117.989 2.211 25588 2502 1 4 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.296 0.724 25588 2503 1 4 . 1 1 12 12 PHE C C 12 176.100 176.100 178.074 -1.974 25588 2504 1 4 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.673 -5.064 25588 2505 1 4 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.688 -3.408 25588 2506 1 4 . 1 1 12 12 PHE H H 12 8.562 8.562 8.291 0.271 25588 2507 1 4 . 1 1 13 13 LYS N N 13 123.500 123.500 120.174 3.326 25588 2508 1 4 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.069 -0.080 25588 2509 1 4 . 1 1 13 13 LYS C C 13 176.700 176.700 179.091 -2.391 25588 2510 1 4 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.954 -2.434 25588 2511 1 4 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.356 -3.046 25588 2512 1 4 . 1 1 13 13 LYS H H 13 9.161 9.161 7.610 1.551 25588 2513 1 4 . 1 1 14 14 GLU N N 14 120.400 120.400 118.565 1.835 25588 2514 1 4 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.166 -0.041 25588 2515 1 4 . 1 1 14 14 GLU C C 14 176.800 176.800 179.168 -2.368 25588 2516 1 4 . 1 1 14 14 GLU CA C 14 56.730 56.730 59.021 -2.291 25588 2517 1 4 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.473 -2.873 25588 2518 1 4 . 1 1 14 14 GLU H H 14 7.786 7.786 8.477 -0.691 25588 2519 1 4 . 1 1 15 15 ALA N N 15 122.600 122.600 122.261 0.339 25588 2520 1 4 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.970 0.313 25588 2521 1 4 . 1 1 15 15 ALA C C 15 176.400 176.400 179.541 -3.141 25588 2522 1 4 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.914 -2.324 25588 2523 1 4 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.178 -2.639 25588 2524 1 4 . 1 1 15 15 ALA H H 15 7.981 7.981 8.384 -0.403 25588 2525 1 4 . 1 1 16 16 PHE N N 16 119.400 119.400 119.317 0.083 25588 2526 1 4 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.446 -1.240 25588 2527 1 4 . 1 1 16 16 PHE C C 16 174.600 174.600 177.241 -2.641 25588 2528 1 4 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.630 -2.270 25588 2529 1 4 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.474 -2.434 25588 2530 1 4 . 1 1 16 16 PHE H H 16 8.796 8.796 8.329 0.467 25588 2531 1 4 . 1 1 17 17 SER N N 17 112.600 112.600 114.391 -1.791 25588 2532 1 4 . 1 1 17 17 SER HA H 17 4.028 4.028 4.197 -0.169 25588 2533 1 4 . 1 1 17 17 SER C C 17 172.400 172.400 176.314 -3.914 25588 2534 1 4 . 1 1 17 17 SER CA C 17 58.820 58.820 60.776 -1.956 25588 2535 1 4 . 1 1 17 17 SER CB C 17 60.680 60.680 63.315 -2.635 25588 2536 1 4 . 1 1 17 17 SER H H 17 7.898 7.898 7.888 0.010 25588 2537 1 4 . 1 1 18 18 LEU N N 18 121.000 121.000 123.736 -2.736 25588 2538 1 4 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.939 0.056 25588 2539 1 4 . 1 1 18 18 LEU C C 18 175.300 175.300 177.759 -2.459 25588 2540 1 4 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.817 -3.327 25588 2541 1 4 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.467 -2.597 25588 2542 1 4 . 1 1 18 18 LEU H H 18 7.426 7.426 7.573 -0.147 25588 2543 1 4 . 1 1 19 19 PHE N N 19 115.200 115.200 115.302 -0.102 25588 2544 1 4 . 1 1 19 19 PHE C C 19 174.100 174.100 178.080 -3.980 25588 2545 1 4 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.563 -4.923 25588 2546 1 4 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.405 -0.155 25588 2547 1 4 . 1 1 19 19 PHE H H 19 7.309 7.309 7.516 -0.207 25588 2548 1 4 . 1 1 20 20 ASP N N 20 117.700 117.700 118.663 -0.963 25588 2549 1 4 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.503 0.037 25588 2550 1 4 . 1 1 20 20 ASP C C 20 174.500 174.500 178.147 -3.647 25588 2551 1 4 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.794 -5.074 25588 2552 1 4 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.813 -4.613 25588 2553 1 4 . 1 1 20 20 ASP H H 20 7.814 7.814 7.700 0.114 25588 2554 1 4 . 1 1 21 21 LYS N N 21 124.400 124.400 119.224 5.176 25588 2555 1 4 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.885 0.069 25588 2556 1 4 . 1 1 21 21 LYS C C 21 175.500 175.500 177.713 -2.213 25588 2557 1 4 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.077 -3.187 25588 2558 1 4 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.224 -2.164 25588 2559 1 4 . 1 1 21 21 LYS H H 21 7.652 7.652 7.600 0.052 25588 2560 1 4 . 1 1 22 22 ASP N N 22 113.900 113.900 116.952 -3.052 25588 2561 1 4 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.377 0.208 25588 2562 1 4 . 1 1 22 22 ASP C C 22 175.000 175.000 177.095 -2.095 25588 2563 1 4 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.736 -5.606 25588 2564 1 4 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.959 -4.049 25588 2565 1 4 . 1 1 22 22 ASP H H 22 8.056 8.056 7.708 0.348 25588 2566 1 4 . 1 1 23 23 GLY N N 23 109.200 109.200 108.960 0.240 25588 2567 1 4 . 1 1 23 23 GLY C C 23 172.300 172.300 173.701 -1.401 25588 2568 1 4 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.660 -0.070 25588 2569 1 4 . 1 1 23 23 GLY H H 23 7.660 7.660 7.722 -0.062 25588 2570 1 4 . 1 1 24 24 ASP N N 24 118.600 118.600 118.199 0.401 25588 2571 1 4 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.544 0.073 25588 2572 1 4 . 1 1 24 24 ASP C C 24 174.200 174.200 175.769 -1.569 25588 2573 1 4 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.302 -5.332 25588 2574 1 4 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.044 -5.955 25588 2575 1 4 . 1 1 24 24 ASP H H 24 8.052 8.052 8.401 -0.349 25588 2576 1 4 . 1 1 25 25 GLY N N 25 113.400 113.400 107.539 5.861 25588 2577 1 4 . 1 1 25 25 GLY C C 25 170.600 170.600 173.054 -2.454 25588 2578 1 4 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.971 -1.811 25588 2579 1 4 . 1 1 25 25 GLY H H 25 10.570 10.570 7.918 2.652 25588 2580 1 4 . 1 1 26 26 THR N N 26 109.100 109.100 117.127 -8.027 25588 2581 1 4 . 1 1 26 26 THR HA H 26 5.271 5.271 4.377 0.894 25588 2582 1 4 . 1 1 26 26 THR C C 26 170.200 170.200 172.548 -2.348 25588 2583 1 4 . 1 1 26 26 THR CA C 26 57.170 57.170 61.876 -4.705 25588 2584 1 4 . 1 1 26 26 THR CB C 26 69.920 69.920 72.469 -2.549 25588 2585 1 4 . 1 1 26 26 THR H H 26 7.661 7.661 8.022 -0.361 25588 2586 1 4 . 1 1 27 27 ILE N N 27 127.100 127.100 126.308 0.792 25588 2587 1 4 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.578 0.393 25588 2588 1 4 . 1 1 27 27 ILE C C 27 173.400 173.400 174.673 -1.273 25588 2589 1 4 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.040 -2.220 25588 2590 1 4 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.369 -2.649 25588 2591 1 4 . 1 1 27 27 ILE H H 27 9.766 9.766 8.107 1.659 25588 2592 1 4 . 1 1 28 28 THR N N 28 116.500 116.500 117.281 -0.781 25588 2593 1 4 . 1 1 28 28 THR HA H 28 4.802 4.802 5.171 -0.369 25588 2594 1 4 . 1 1 28 28 THR C C 28 173.900 173.900 176.017 -2.117 25588 2595 1 4 . 1 1 28 28 THR CA C 28 56.980 56.980 59.439 -2.459 25588 2596 1 4 . 1 1 28 28 THR CB C 28 69.730 69.730 72.169 -2.439 25588 2597 1 4 . 1 1 28 28 THR H H 28 8.458 8.458 8.300 0.158 25588 2598 1 4 . 1 1 29 29 THR N N 29 112.900 112.900 112.962 -0.062 25588 2599 1 4 . 1 1 29 29 THR HA H 29 4.169 4.169 4.037 0.132 25588 2600 1 4 . 1 1 29 29 THR C C 29 174.500 174.500 176.627 -2.127 25588 2601 1 4 . 1 1 29 29 THR CA C 29 63.940 63.940 66.427 -2.487 25588 2602 1 4 . 1 1 29 29 THR CB C 29 65.170 65.170 68.639 -3.469 25588 2603 1 4 . 1 1 29 29 THR H H 29 9.066 9.066 8.527 0.539 25588 2604 1 4 . 1 1 30 30 LYS N N 30 120.800 120.800 121.671 -0.871 25588 2605 1 4 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.969 0.142 25588 2606 1 4 . 1 1 30 30 LYS C C 30 177.200 177.200 179.019 -1.819 25588 2607 1 4 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.405 -2.875 25588 2608 1 4 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.247 -2.287 25588 2609 1 4 . 1 1 30 30 LYS H H 30 7.664 7.664 7.671 -0.007 25588 2610 1 4 . 1 1 31 31 GLU N N 31 121.400 121.400 119.036 2.364 25588 2611 1 4 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.992 0.073 25588 2612 1 4 . 1 1 31 31 GLU C C 31 176.500 176.500 179.155 -2.655 25588 2613 1 4 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.932 -2.352 25588 2614 1 4 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.737 -2.577 25588 2615 1 4 . 1 1 31 31 GLU H H 31 7.635 7.635 7.521 0.114 25588 2616 1 4 . 1 1 32 32 LEU N N 32 120.600 120.600 121.098 -0.498 25588 2617 1 4 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.310 -0.228 25588 2618 1 4 . 1 1 32 32 LEU C C 32 176.300 176.300 178.820 -2.520 25588 2619 1 4 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.363 -1.953 25588 2620 1 4 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.927 -1.957 25588 2621 1 4 . 1 1 32 32 LEU H H 32 8.699 8.699 7.658 1.041 25588 2622 1 4 . 1 1 33 33 GLY N N 33 105.600 105.600 104.222 1.378 25588 2623 1 4 . 1 1 33 33 GLY C C 33 172.500 172.500 176.112 -3.612 25588 2624 1 4 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.530 -1.810 25588 2625 1 4 . 1 1 33 33 GLY H H 33 8.616 8.616 8.807 -0.191 25588 2626 1 4 . 1 1 34 34 THR N N 34 118.000 118.000 119.469 -1.469 25588 2627 1 4 . 1 1 34 34 THR HA H 34 3.913 3.913 3.974 -0.061 25588 2628 1 4 . 1 1 34 34 THR C C 34 174.500 174.500 176.326 -1.826 25588 2629 1 4 . 1 1 34 34 THR CA C 34 64.250 64.250 66.549 -2.299 25588 2630 1 4 . 1 1 34 34 THR CB C 34 66.100 66.100 68.590 -2.490 25588 2631 1 4 . 1 1 34 34 THR H H 34 7.867 7.867 7.471 0.396 25588 2632 1 4 . 1 1 35 35 VAL N N 35 122.100 122.100 121.594 0.506 25588 2633 1 4 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.639 -0.181 25588 2634 1 4 . 1 1 35 35 VAL C C 35 176.500 176.500 177.002 -0.502 25588 2635 1 4 . 1 1 35 35 VAL CA C 35 63.630 63.630 66.157 -2.527 25588 2636 1 4 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.905 -2.785 25588 2637 1 4 . 1 1 35 35 VAL H H 35 7.613 7.613 8.080 -0.467 25588 2638 1 4 . 1 1 36 36 MET N N 36 118.400 118.400 117.756 0.644 25588 2639 1 4 . 1 1 36 36 MET HA H 36 4.095 4.095 4.064 0.031 25588 2640 1 4 . 1 1 36 36 MET C C 36 176.500 176.500 178.069 -1.569 25588 2641 1 4 . 1 1 36 36 MET CA C 36 56.420 56.420 57.478 -1.058 25588 2642 1 4 . 1 1 36 36 MET H H 36 8.440 8.440 7.443 0.997 25588 2643 1 4 . 1 1 37 37 ARG N N 37 119.000 119.000 119.015 -0.015 25588 2644 1 4 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.005 0.796 25588 2645 1 4 . 1 1 37 37 ARG C C 37 178.500 178.500 179.423 -0.923 25588 2646 1 4 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.836 -3.416 25588 2647 1 4 . 1 1 37 37 ARG H H 37 8.474 8.474 8.175 0.299 25588 2648 1 4 . 1 1 38 38 SER N N 38 118.800 118.800 115.605 3.195 25588 2649 1 4 . 1 1 38 38 SER HA H 38 4.380 4.380 4.227 0.153 25588 2650 1 4 . 1 1 38 38 SER C C 38 172.200 172.200 175.988 -3.788 25588 2651 1 4 . 1 1 38 38 SER CA C 38 58.930 58.930 61.088 -2.158 25588 2652 1 4 . 1 1 38 38 SER CB C 38 60.200 60.200 62.765 -2.565 25588 2653 1 4 . 1 1 38 38 SER H H 38 7.899 7.899 7.737 0.162 25588 2654 1 4 . 1 1 39 39 LEU N N 39 120.600 120.600 118.765 1.835 25588 2655 1 4 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.507 -0.012 25588 2656 1 4 . 1 1 39 39 LEU C C 39 174.800 174.800 177.847 -3.047 25588 2657 1 4 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.188 -2.258 25588 2658 1 4 . 1 1 39 39 LEU H H 39 7.364 7.364 7.655 -0.291 25588 2659 1 4 . 1 1 40 40 GLY N N 40 106.800 106.800 109.161 -2.361 25588 2660 1 4 . 1 1 40 40 GLY C C 40 171.700 171.700 174.372 -2.672 25588 2661 1 4 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.560 -3.590 25588 2662 1 4 . 1 1 40 40 GLY H H 40 7.862 7.862 7.881 -0.019 25588 2663 1 4 . 1 1 41 41 GLN N N 41 118.400 118.400 122.397 -3.997 25588 2664 1 4 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.439 0.041 25588 2665 1 4 . 1 1 41 41 GLN C C 41 171.400 171.400 173.426 -2.026 25588 2666 1 4 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.288 -3.398 25588 2667 1 4 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.010 -2.930 25588 2668 1 4 . 1 1 41 41 GLN H H 41 7.788 7.788 8.585 -0.797 25588 2669 1 4 . 1 1 42 42 ASN N N 42 116.300 116.300 123.065 -6.765 25588 2670 1 4 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.378 -0.185 25588 2671 1 4 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.499 -0.879 25588 2672 1 4 . 1 1 42 42 ASN H H 42 8.665 8.665 8.259 0.406 25588 2673 1 4 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.074 0.661 25588 2674 1 4 . 1 1 43 43 PRO C C 43 175.100 175.100 178.614 -3.514 25588 2675 1 4 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.766 -5.986 25588 2676 1 4 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.654 -2.264 25588 2677 1 4 . 1 1 44 44 THR N N 44 112.900 112.900 113.081 -0.181 25588 2678 1 4 . 1 1 44 44 THR HA H 44 4.707 4.707 3.953 0.754 25588 2679 1 4 . 1 1 44 44 THR C C 44 172.600 172.600 176.822 -4.222 25588 2680 1 4 . 1 1 44 44 THR CA C 44 57.830 57.830 66.670 -8.840 25588 2681 1 4 . 1 1 44 44 THR CB C 44 68.490 68.490 68.350 0.140 25588 2682 1 4 . 1 1 44 44 THR H H 44 8.702 8.702 7.899 0.803 25588 2683 1 4 . 1 1 45 45 GLU N N 45 120.800 120.800 120.237 0.563 25588 2684 1 4 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.298 -0.323 25588 2685 1 4 . 1 1 45 45 GLU C C 45 176.300 176.300 178.472 -2.172 25588 2686 1 4 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.408 -0.948 25588 2687 1 4 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.529 -3.109 25588 2688 1 4 . 1 1 45 45 GLU H H 45 8.789 8.789 8.533 0.256 25588 2689 1 4 . 1 1 46 46 ALA N N 46 120.700 120.700 123.799 -3.099 25588 2690 1 4 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.044 0.045 25588 2691 1 4 . 1 1 46 46 ALA C C 46 177.700 177.700 179.776 -2.076 25588 2692 1 4 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.367 -2.958 25588 2693 1 4 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.905 -2.255 25588 2694 1 4 . 1 1 46 46 ALA H H 46 8.241 8.241 8.265 -0.024 25588 2695 1 4 . 1 1 47 47 GLU N N 47 118.900 118.900 118.071 0.829 25588 2696 1 4 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.163 -0.161 25588 2697 1 4 . 1 1 47 47 GLU C C 47 177.500 177.500 179.209 -1.709 25588 2698 1 4 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.724 -2.314 25588 2699 1 4 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.684 -2.624 25588 2700 1 4 . 1 1 47 47 GLU H H 47 7.682 7.682 7.897 -0.215 25588 2701 1 4 . 1 1 48 48 LEU N N 48 120.600 120.600 120.072 0.528 25588 2702 1 4 . 1 1 48 48 LEU HA H 48 4.061 4.061 3.976 0.085 25588 2703 1 4 . 1 1 48 48 LEU C C 48 175.900 175.900 178.804 -2.904 25588 2704 1 4 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.410 -2.140 25588 2705 1 4 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.586 -1.846 25588 2706 1 4 . 1 1 48 48 LEU H H 48 8.169 8.169 7.476 0.693 25588 2707 1 4 . 1 1 49 49 GLN N N 49 118.200 118.200 119.498 -1.298 25588 2708 1 4 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.837 -0.010 25588 2709 1 4 . 1 1 49 49 GLN C C 49 175.900 175.900 177.557 -1.657 25588 2710 1 4 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.204 -3.234 25588 2711 1 4 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.731 -2.211 25588 2712 1 4 . 1 1 49 49 GLN H H 49 8.179 8.179 8.747 -0.568 25588 2713 1 4 . 1 1 50 50 ASP N N 50 119.900 119.900 119.132 0.768 25588 2714 1 4 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.404 -0.021 25588 2715 1 4 . 1 1 50 50 ASP C C 50 175.900 175.900 178.301 -2.401 25588 2716 1 4 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.707 -1.757 25588 2717 1 4 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.485 -2.695 25588 2718 1 4 . 1 1 50 50 ASP H H 50 8.037 8.037 7.797 0.240 25588 2719 1 4 . 1 1 51 51 MET N N 51 119.300 119.300 120.374 -1.074 25588 2720 1 4 . 1 1 51 51 MET HA H 51 4.028 4.028 4.090 -0.062 25588 2721 1 4 . 1 1 51 51 MET C C 51 176.200 176.200 178.277 -2.077 25588 2722 1 4 . 1 1 51 51 MET CA C 51 56.710 56.710 59.118 -2.409 25588 2723 1 4 . 1 1 51 51 MET CB C 51 30.570 30.570 32.682 -2.112 25588 2724 1 4 . 1 1 51 51 MET H H 51 7.855 7.855 7.245 0.610 25588 2725 1 4 . 1 1 52 52 ILE N N 52 118.200 118.200 119.635 -1.435 25588 2726 1 4 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.491 -0.002 25588 2727 1 4 . 1 1 52 52 ILE C C 52 175.100 175.100 177.852 -2.752 25588 2728 1 4 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.684 -3.464 25588 2729 1 4 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.655 1.675 25588 2730 1 4 . 1 1 52 52 ILE H H 52 7.701 7.701 8.798 -1.097 25588 2731 1 4 . 1 1 53 53 ASN N N 53 117.700 117.700 117.716 -0.016 25588 2732 1 4 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.395 -0.034 25588 2733 1 4 . 1 1 53 53 ASN C C 53 174.800 174.800 177.701 -2.901 25588 2734 1 4 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.047 -2.757 25588 2735 1 4 . 1 1 53 53 ASN CB C 53 35.440 35.440 37.803 -2.362 25588 2736 1 4 . 1 1 53 53 ASN H H 53 8.529 8.529 7.974 0.555 25588 2737 1 4 . 1 1 54 54 GLU N N 54 116.400 116.400 120.524 -4.124 25588 2738 1 4 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.074 -0.053 25588 2739 1 4 . 1 1 54 54 GLU C C 54 175.000 175.000 178.768 -3.768 25588 2740 1 4 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.395 -3.155 25588 2741 1 4 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.731 -1.901 25588 2742 1 4 . 1 1 54 54 GLU H H 54 7.573 7.573 7.846 -0.273 25588 2743 1 4 . 1 1 55 55 VAL N N 55 108.400 108.400 118.408 -10.008 25588 2744 1 4 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.897 0.549 25588 2745 1 4 . 1 1 55 55 VAL C C 55 173.100 173.100 177.441 -4.341 25588 2746 1 4 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.108 -7.018 25588 2747 1 4 . 1 1 55 55 VAL H H 55 7.204 7.204 7.704 -0.500 25588 2748 1 4 . 1 1 56 56 ASP N N 56 126.900 126.900 119.496 7.404 25588 2749 1 4 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.562 0.076 25588 2750 1 4 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.769 -3.719 25588 2751 1 4 . 1 1 56 56 ASP CB C 56 37.480 37.480 41.077 -3.597 25588 2752 1 4 . 1 1 56 56 ASP H H 56 7.649 7.649 8.214 -0.565 25588 2753 1 4 . 1 1 57 57 ALA N N 57 131.900 131.900 121.314 10.586 25588 2754 1 4 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.191 -0.009 25588 2755 1 4 . 1 1 57 57 ALA C C 57 176.000 176.000 177.636 -1.636 25588 2756 1 4 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.332 -1.642 25588 2757 1 4 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.105 -1.205 25588 2758 1 4 . 1 1 57 57 ALA H H 57 8.458 8.458 7.891 0.567 25588 2759 1 4 . 1 1 58 58 ASP N N 58 113.800 113.800 118.237 -4.437 25588 2760 1 4 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.424 0.187 25588 2761 1 4 . 1 1 58 58 ASP C C 58 175.200 175.200 176.919 -1.719 25588 2762 1 4 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.355 -5.315 25588 2763 1 4 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.627 -3.427 25588 2764 1 4 . 1 1 58 58 ASP H H 58 8.125 8.125 7.765 0.360 25588 2765 1 4 . 1 1 59 59 GLY N N 59 108.400 108.400 106.537 1.863 25588 2766 1 4 . 1 1 59 59 GLY C C 59 172.500 172.500 173.429 -0.929 25588 2767 1 4 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.260 -0.600 25588 2768 1 4 . 1 1 59 59 GLY H H 59 7.550 7.550 7.857 -0.307 25588 2769 1 4 . 1 1 60 60 ASN N N 60 120.600 120.600 117.347 3.253 25588 2770 1 4 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.760 -0.273 25588 2771 1 4 . 1 1 60 60 ASN C C 60 174.800 174.800 174.996 -0.196 25588 2772 1 4 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.461 -1.281 25588 2773 1 4 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.479 -1.639 25588 2774 1 4 . 1 1 60 60 ASN H H 60 8.356 8.356 8.196 0.160 25588 2775 1 4 . 1 1 61 61 GLY N N 61 113.300 113.300 106.461 6.839 25588 2776 1 4 . 1 1 61 61 GLY C C 61 171.100 171.100 173.762 -2.662 25588 2777 1 4 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.877 -3.047 25588 2778 1 4 . 1 1 61 61 GLY H H 61 10.610 10.610 8.724 1.886 25588 2779 1 4 . 1 1 62 62 THR N N 62 112.900 112.900 112.062 0.838 25588 2780 1 4 . 1 1 62 62 THR HA H 62 4.756 4.756 5.001 -0.245 25588 2781 1 4 . 1 1 62 62 THR C C 62 170.500 170.500 173.447 -2.947 25588 2782 1 4 . 1 1 62 62 THR CA C 62 57.050 57.050 59.619 -2.569 25588 2783 1 4 . 1 1 62 62 THR CB C 62 69.100 69.100 71.894 -2.794 25588 2784 1 4 . 1 1 62 62 THR H H 62 8.111 8.111 7.673 0.438 25588 2785 1 4 . 1 1 63 63 ILE N N 63 123.900 123.900 123.680 0.220 25588 2786 1 4 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.306 0.846 25588 2787 1 4 . 1 1 63 63 ILE C C 63 172.900 172.900 174.810 -1.910 25588 2788 1 4 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.040 -2.680 25588 2789 1 4 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.202 -4.342 25588 2790 1 4 . 1 1 63 63 ILE H H 63 8.905 8.905 9.027 -0.122 25588 2791 1 4 . 1 1 64 64 ASP N N 64 128.200 128.200 125.820 2.380 25588 2792 1 4 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.618 0.724 25588 2793 1 4 . 1 1 64 64 ASP C C 64 173.700 173.700 176.983 -3.283 25588 2794 1 4 . 1 1 64 64 ASP CA C 64 49.470 49.470 55.003 -5.533 25588 2795 1 4 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.836 -2.186 25588 2796 1 4 . 1 1 64 64 ASP H H 64 8.778 8.778 8.785 -0.007 25588 2797 1 4 . 1 1 65 65 PHE N N 65 118.700 118.700 120.099 -1.399 25588 2798 1 4 . 1 1 65 65 PHE CA C 65 61.020 61.020 62.368 -1.348 25588 2799 1 4 . 1 1 65 65 PHE H H 65 8.903 8.903 8.864 0.039 25588 2800 1 4 . 1 1 66 66 PRO C C 66 177.400 177.400 178.967 -1.567 25588 2801 1 4 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.300 -2.340 25588 2802 1 4 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.410 -3.350 25588 2803 1 4 . 1 1 67 67 GLU N N 67 117.600 117.600 116.978 0.622 25588 2804 1 4 . 1 1 67 67 GLU C C 67 176.100 176.100 178.712 -2.612 25588 2805 1 4 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.124 -3.054 25588 2806 1 4 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.251 -2.501 25588 2807 1 4 . 1 1 67 67 GLU H H 67 7.894 7.894 8.729 -0.835 25588 2808 1 4 . 1 1 68 68 PHE N N 68 123.500 123.500 121.698 1.802 25588 2809 1 4 . 1 1 68 68 PHE C C 68 174.400 174.400 176.902 -2.502 25588 2810 1 4 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.347 -2.737 25588 2811 1 4 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.962 -1.442 25588 2812 1 4 . 1 1 68 68 PHE H H 68 8.826 8.826 7.592 1.234 25588 2813 1 4 . 1 1 69 69 LEU N N 69 119.000 119.000 118.513 0.487 25588 2814 1 4 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.877 -0.543 25588 2815 1 4 . 1 1 69 69 LEU C C 69 176.600 176.600 178.828 -2.228 25588 2816 1 4 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.262 -2.912 25588 2817 1 4 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.564 -3.384 25588 2818 1 4 . 1 1 69 69 LEU H H 69 8.321 8.321 8.161 0.160 25588 2819 1 4 . 1 1 70 70 THR N N 70 115.500 115.500 115.198 0.302 25588 2820 1 4 . 1 1 70 70 THR HA H 70 4.317 4.317 3.883 0.434 25588 2821 1 4 . 1 1 70 70 THR C C 70 173.400 173.400 176.274 -2.874 25588 2822 1 4 . 1 1 70 70 THR CA C 70 63.720 63.720 66.874 -3.154 25588 2823 1 4 . 1 1 70 70 THR CB C 70 65.630 65.630 68.577 -2.947 25588 2824 1 4 . 1 1 70 70 THR H H 70 7.476 7.476 7.464 0.012 25588 2825 1 4 . 1 1 71 71 MET N N 71 121.700 121.700 121.389 0.311 25588 2826 1 4 . 1 1 71 71 MET HA H 71 3.758 3.758 3.932 -0.174 25588 2827 1 4 . 1 1 71 71 MET C C 71 175.600 175.600 177.586 -1.986 25588 2828 1 4 . 1 1 71 71 MET CA C 71 56.370 56.370 59.182 -2.812 25588 2829 1 4 . 1 1 71 71 MET CB C 71 30.590 30.590 32.528 -1.938 25588 2830 1 4 . 1 1 71 71 MET H H 71 7.774 7.774 8.131 -0.357 25588 2831 1 4 . 1 1 72 72 MET N N 72 116.900 116.900 117.020 -0.120 25588 2832 1 4 . 1 1 72 72 MET HA H 72 3.993 3.993 3.981 0.012 25588 2833 1 4 . 1 1 72 72 MET C C 72 175.900 175.900 178.367 -2.467 25588 2834 1 4 . 1 1 72 72 MET CA C 72 53.200 53.200 57.268 -4.068 25588 2835 1 4 . 1 1 72 72 MET CB C 72 28.520 28.520 30.924 -2.404 25588 2836 1 4 . 1 1 72 72 MET H H 72 8.082 8.082 7.913 0.169 25588 2837 1 4 . 1 1 73 73 ALA N N 73 122.300 122.300 122.771 -0.471 25588 2838 1 4 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.916 0.158 25588 2839 1 4 . 1 1 73 73 ALA C C 73 177.200 177.200 179.209 -2.009 25588 2840 1 4 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.101 -3.131 25588 2841 1 4 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.339 -2.599 25588 2842 1 4 . 1 1 73 73 ALA H H 73 8.149 8.149 7.870 0.279 25588 2843 1 4 . 1 1 74 74 ARG N N 74 116.600 116.600 116.750 -0.150 25588 2844 1 4 . 1 1 74 74 ARG C C 74 175.200 175.200 178.207 -3.007 25588 2845 1 4 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.596 -3.035 25588 2846 1 4 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.341 -2.691 25588 2847 1 4 . 1 1 74 74 ARG H H 74 7.564 7.564 7.514 0.050 25588 2848 1 4 . 1 1 75 75 LYS N N 75 118.800 118.800 116.862 1.938 25588 2849 1 4 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.132 0.063 25588 2850 1 4 . 1 1 75 75 LYS C C 75 175.100 175.100 177.798 -2.698 25588 2851 1 4 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.503 -2.773 25588 2852 1 4 . 1 1 75 75 LYS H H 75 7.668 7.668 7.933 -0.265 25588 2853 1 4 . 1 1 76 76 MET N N 76 118.300 118.300 119.289 -0.989 25588 2854 1 4 . 1 1 76 76 MET HA H 76 4.331 4.331 4.541 -0.210 25588 2855 1 4 . 1 1 76 76 MET C C 76 173.900 173.900 175.196 -1.296 25588 2856 1 4 . 1 1 76 76 MET CA C 76 54.010 54.010 53.805 0.205 25588 2857 1 4 . 1 1 76 76 MET H H 76 7.861 7.861 8.137 -0.276 25588 2858 1 4 . 1 1 77 77 LYS N N 77 120.200 120.200 123.935 -3.735 25588 2859 1 4 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.314 -0.016 25588 2860 1 4 . 1 1 77 77 LYS C C 77 173.800 173.800 176.543 -2.743 25588 2861 1 4 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.995 -1.925 25588 2862 1 4 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.799 -3.429 25588 2863 1 4 . 1 1 77 77 LYS H H 77 7.797 7.797 8.390 -0.593 25588 2864 1 4 . 1 1 78 78 ASP N N 78 121.400 121.400 122.983 -1.583 25588 2865 1 4 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.411 0.262 25588 2866 1 4 . 1 1 78 78 ASP C C 78 173.900 173.900 177.441 -3.541 25588 2867 1 4 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.306 -3.406 25588 2868 1 4 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.653 -3.143 25588 2869 1 4 . 1 1 78 78 ASP H H 78 8.191 8.191 8.524 -0.333 25588 2870 1 4 . 1 1 79 79 THR N N 79 114.600 114.600 111.137 3.463 25588 2871 1 4 . 1 1 79 79 THR HA H 79 4.263 4.263 4.045 0.218 25588 2872 1 4 . 1 1 79 79 THR C C 79 171.900 171.900 175.801 -3.901 25588 2873 1 4 . 1 1 79 79 THR CA C 79 59.510 59.510 64.964 -5.454 25588 2874 1 4 . 1 1 79 79 THR CB C 79 67.090 67.090 68.813 -1.723 25588 2875 1 4 . 1 1 79 79 THR H H 79 8.063 8.063 8.404 -0.341 25588 2876 1 4 . 1 1 80 80 ASP N N 80 123.100 123.100 120.887 2.213 25588 2877 1 4 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.491 0.221 25588 2878 1 4 . 1 1 80 80 ASP C C 80 173.900 173.900 178.073 -4.173 25588 2879 1 4 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.221 -4.322 25588 2880 1 4 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.450 -0.780 25588 2881 1 4 . 1 1 80 80 ASP H H 80 8.423 8.423 8.642 -0.219 25588 2882 1 4 . 1 1 81 81 SER N N 81 116.900 116.900 116.372 0.528 25588 2883 1 4 . 1 1 81 81 SER HA H 81 4.498 4.498 4.110 0.388 25588 2884 1 4 . 1 1 81 81 SER C C 81 172.700 172.700 176.012 -3.312 25588 2885 1 4 . 1 1 81 81 SER CA C 81 56.360 56.360 61.433 -5.073 25588 2886 1 4 . 1 1 81 81 SER CB C 81 61.310 61.310 62.758 -1.448 25588 2887 1 4 . 1 1 81 81 SER H H 81 8.357 8.357 7.815 0.542 25588 2888 1 4 . 1 1 82 82 GLU N N 82 122.800 122.800 122.386 0.414 25588 2889 1 4 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.821 0.307 25588 2890 1 4 . 1 1 82 82 GLU C C 82 175.300 175.300 178.710 -3.410 25588 2891 1 4 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.665 -3.395 25588 2892 1 4 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.507 -2.757 25588 2893 1 4 . 1 1 82 82 GLU H H 82 8.532 8.532 7.795 0.737 25588 2894 1 4 . 1 1 83 83 GLU N N 83 119.400 119.400 117.306 2.094 25588 2895 1 4 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.140 -0.106 25588 2896 1 4 . 1 1 83 83 GLU C C 83 176.000 176.000 179.449 -3.449 25588 2897 1 4 . 1 1 83 83 GLU CA C 83 57.070 57.070 59.051 -1.981 25588 2898 1 4 . 1 1 83 83 GLU H H 83 8.365 8.365 7.888 0.477 25588 2899 1 4 . 1 1 84 84 GLU N N 84 118.700 118.700 120.257 -1.557 25588 2900 1 4 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.158 -0.011 25588 2901 1 4 . 1 1 84 84 GLU C C 84 177.000 177.000 179.234 -2.234 25588 2902 1 4 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.676 -2.006 25588 2903 1 4 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.094 -2.294 25588 2904 1 4 . 1 1 84 84 GLU H H 84 8.073 8.073 7.576 0.497 25588 2905 1 4 . 1 1 85 85 ILE N N 85 122.200 122.200 119.749 2.451 25588 2906 1 4 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.646 0.348 25588 2907 1 4 . 1 1 85 85 ILE C C 85 175.300 175.300 177.217 -1.917 25588 2908 1 4 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.591 -2.461 25588 2909 1 4 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.513 -3.013 25588 2910 1 4 . 1 1 85 85 ILE H H 85 8.043 8.043 9.020 -0.977 25588 2911 1 4 . 1 1 86 86 ARG N N 86 121.700 121.700 119.997 1.703 25588 2912 1 4 . 1 1 86 86 ARG C C 86 176.700 176.700 178.347 -1.647 25588 2913 1 4 . 1 1 86 86 ARG CA C 86 57.360 57.360 60.008 -2.648 25588 2914 1 4 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.937 -2.887 25588 2915 1 4 . 1 1 86 86 ARG H H 86 8.415 8.415 7.718 0.697 25588 2916 1 4 . 1 1 87 87 GLU N N 87 118.600 118.600 118.594 0.006 25588 2917 1 4 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.184 -0.075 25588 2918 1 4 . 1 1 87 87 GLU C C 87 175.900 175.900 178.235 -2.335 25588 2919 1 4 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.888 -2.458 25588 2920 1 4 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.347 -2.797 25588 2921 1 4 . 1 1 87 87 GLU H H 87 8.056 8.056 7.765 0.291 25588 2922 1 4 . 1 1 88 88 ALA N N 88 122.000 122.000 122.193 -0.193 25588 2923 1 4 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.089 0.129 25588 2924 1 4 . 1 1 88 88 ALA C C 88 176.600 176.600 179.604 -3.004 25588 2925 1 4 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.718 -2.268 25588 2926 1 4 . 1 1 88 88 ALA CB C 88 15.300 15.300 17.833 -2.533 25588 2927 1 4 . 1 1 88 88 ALA H H 88 7.934 7.934 7.393 0.541 25588 2928 1 4 . 1 1 89 89 PHE N N 89 118.900 118.900 120.532 -1.632 25588 2929 1 4 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.206 -1.055 25588 2930 1 4 . 1 1 89 89 PHE C C 89 173.800 173.800 177.508 -3.708 25588 2931 1 4 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.706 -2.206 25588 2932 1 4 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.969 -2.599 25588 2933 1 4 . 1 1 89 89 PHE H H 89 8.537 8.537 8.099 0.438 25588 2934 1 4 . 1 1 90 90 ARG N N 90 115.600 115.600 118.992 -3.392 25588 2935 1 4 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.844 0.020 25588 2936 1 4 . 1 1 90 90 ARG C C 90 175.500 175.500 178.202 -2.702 25588 2937 1 4 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.125 -3.015 25588 2938 1 4 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.126 -2.476 25588 2939 1 4 . 1 1 90 90 ARG H H 90 7.656 7.656 7.806 -0.150 25588 2940 1 4 . 1 1 91 91 VAL N N 91 118.300 118.300 118.484 -0.184 25588 2941 1 4 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.693 -0.206 25588 2942 1 4 . 1 1 91 91 VAL C C 91 174.700 174.700 177.850 -3.150 25588 2943 1 4 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.084 -3.074 25588 2944 1 4 . 1 1 91 91 VAL H H 91 7.496 7.496 7.561 -0.065 25588 2945 1 4 . 1 1 92 92 PHE N N 92 116.300 116.300 118.392 -2.092 25588 2946 1 4 . 1 1 92 92 PHE C C 92 174.300 174.300 175.856 -1.556 25588 2947 1 4 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.325 -2.915 25588 2948 1 4 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.679 -2.059 25588 2949 1 4 . 1 1 92 92 PHE H H 92 7.460 7.460 8.257 -0.797 25588 2950 1 4 . 1 1 93 93 ASP N N 93 116.900 116.900 117.161 -0.261 25588 2951 1 4 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.690 -0.186 25588 2952 1 4 . 1 1 93 93 ASP C C 93 174.900 174.900 175.745 -0.845 25588 2953 1 4 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.683 -3.143 25588 2954 1 4 . 1 1 93 93 ASP H H 93 7.821 7.821 7.928 -0.107 25588 2955 1 4 . 1 1 94 94 LYS N N 94 125.900 125.900 124.847 1.053 25588 2956 1 4 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.107 -0.219 25588 2957 1 4 . 1 1 94 94 LYS C C 94 175.700 175.700 177.563 -1.863 25588 2958 1 4 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.457 -2.047 25588 2959 1 4 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.590 -2.421 25588 2960 1 4 . 1 1 94 94 LYS H H 94 7.689 7.689 8.505 -0.816 25588 2961 1 4 . 1 1 95 95 ASP N N 95 114.000 114.000 117.095 -3.095 25588 2962 1 4 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.391 0.163 25588 2963 1 4 . 1 1 95 95 ASP C C 95 175.100 175.100 177.875 -2.775 25588 2964 1 4 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.542 -5.222 25588 2965 1 4 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.668 -3.678 25588 2966 1 4 . 1 1 95 95 ASP H H 95 8.179 8.179 7.985 0.194 25588 2967 1 4 . 1 1 96 96 GLY N N 96 109.300 109.300 110.346 -1.046 25588 2968 1 4 . 1 1 96 96 GLY C C 96 172.500 172.500 175.543 -3.043 25588 2969 1 4 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.665 -2.165 25588 2970 1 4 . 1 1 96 96 GLY H H 96 7.765 7.765 8.597 -0.832 25588 2971 1 4 . 1 1 97 97 ASN N N 97 119.600 119.600 122.803 -3.203 25588 2972 1 4 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.559 0.085 25588 2973 1 4 . 1 1 97 97 ASN C C 97 173.400 173.400 175.670 -2.270 25588 2974 1 4 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.104 -4.034 25588 2975 1 4 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.799 -3.279 25588 2976 1 4 . 1 1 97 97 ASN H H 97 8.302 8.302 8.596 -0.294 25588 2977 1 4 . 1 1 98 98 GLY N N 98 113.000 113.000 106.120 6.880 25588 2978 1 4 . 1 1 98 98 GLY C C 98 169.800 169.800 172.348 -2.548 25588 2979 1 4 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.173 -1.663 25588 2980 1 4 . 1 1 98 98 GLY H H 98 10.620 10.620 7.335 3.285 25588 2981 1 4 . 1 1 99 99 TYR N N 99 115.900 115.900 118.020 -2.120 25588 2982 1 4 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.721 0.315 25588 2983 1 4 . 1 1 99 99 TYR C C 99 171.900 171.900 175.897 -3.997 25588 2984 1 4 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.965 -3.575 25588 2985 1 4 . 1 1 99 99 TYR CB C 99 40.530 40.530 40.913 -0.383 25588 2986 1 4 . 1 1 99 99 TYR H H 99 7.597 7.597 7.902 -0.305 25588 2987 1 4 . 1 1 100 100 ILE N N 100 127.400 127.400 124.943 2.457 25588 2988 1 4 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.274 0.505 25588 2989 1 4 . 1 1 100 100 ILE C C 100 172.900 172.900 176.233 -3.333 25588 2990 1 4 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.437 -3.777 25588 2991 1 4 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.891 -2.941 25588 2992 1 4 . 1 1 100 100 ILE H H 100 10.120 10.120 8.483 1.637 25588 2993 1 4 . 1 1 101 101 SER N N 101 123.800 123.800 123.721 0.079 25588 2994 1 4 . 1 1 101 101 SER C C 101 172.600 172.600 175.485 -2.885 25588 2995 1 4 . 1 1 101 101 SER CA C 101 53.180 53.180 56.791 -3.611 25588 2996 1 4 . 1 1 101 101 SER CB C 101 63.970 63.970 64.893 -0.923 25588 2997 1 4 . 1 1 101 101 SER H H 101 8.944 8.944 8.367 0.577 25588 2998 1 4 . 1 1 102 102 ALA N N 102 122.900 122.900 123.871 -0.971 25588 2999 1 4 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.066 -0.152 25588 3000 1 4 . 1 1 102 102 ALA C C 102 176.700 176.700 178.993 -2.293 25588 3001 1 4 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.376 -2.076 25588 3002 1 4 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.183 -2.733 25588 3003 1 4 . 1 1 102 102 ALA H H 102 9.178 9.178 8.824 0.354 25588 3004 1 4 . 1 1 103 103 ALA N N 103 118.400 118.400 121.994 -3.594 25588 3005 1 4 . 1 1 103 103 ALA C C 103 178.700 178.700 179.858 -1.158 25588 3006 1 4 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.998 -2.448 25588 3007 1 4 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.218 -2.338 25588 3008 1 4 . 1 1 103 103 ALA H H 103 8.205 8.205 7.942 0.263 25588 3009 1 4 . 1 1 104 104 GLU N N 104 119.700 119.700 118.449 1.251 25588 3010 1 4 . 1 1 104 104 GLU C C 104 176.600 176.600 178.992 -2.392 25588 3011 1 4 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.978 -2.338 25588 3012 1 4 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.618 -2.978 25588 3013 1 4 . 1 1 104 104 GLU H H 104 7.835 7.835 7.636 0.199 25588 3014 1 4 . 1 1 105 105 LEU N N 105 121.000 121.000 121.402 -0.402 25588 3015 1 4 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.064 0.035 25588 3016 1 4 . 1 1 105 105 LEU C C 105 175.800 175.800 178.077 -2.277 25588 3017 1 4 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.925 -2.265 25588 3018 1 4 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.924 -7.364 25588 3019 1 4 . 1 1 105 105 LEU H H 105 8.571 8.571 8.027 0.544 25588 3020 1 4 . 1 1 106 106 ARG N N 106 117.500 117.500 118.924 -1.424 25588 3021 1 4 . 1 1 106 106 ARG C C 106 176.000 176.000 178.237 -2.237 25588 3022 1 4 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.181 -2.951 25588 3023 1 4 . 1 1 106 106 ARG H H 106 8.522 8.522 8.087 0.435 25588 3024 1 4 . 1 1 107 107 HIS N N 107 119.000 119.000 118.224 0.776 25588 3025 1 4 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.321 -0.035 25588 3026 1 4 . 1 1 107 107 HIS C C 107 174.900 174.900 177.585 -2.685 25588 3027 1 4 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.628 -2.538 25588 3028 1 4 . 1 1 107 107 HIS H H 107 7.889 7.889 7.714 0.175 25588 3029 1 4 . 1 1 108 108 VAL N N 108 118.900 118.900 119.840 -0.940 25588 3030 1 4 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.578 -0.093 25588 3031 1 4 . 1 1 108 108 VAL C C 108 175.400 175.400 178.240 -2.840 25588 3032 1 4 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.476 -2.956 25588 3033 1 4 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.440 -2.240 25588 3034 1 4 . 1 1 108 108 VAL H H 108 7.958 7.958 7.548 0.410 25588 3035 1 4 . 1 1 109 109 MET N N 109 116.400 116.400 117.548 -1.148 25588 3036 1 4 . 1 1 109 109 MET HA H 109 4.331 4.331 4.202 0.129 25588 3037 1 4 . 1 1 109 109 MET C C 109 176.000 176.000 178.832 -2.832 25588 3038 1 4 . 1 1 109 109 MET CA C 109 54.910 54.910 57.763 -2.853 25588 3039 1 4 . 1 1 109 109 MET CB C 109 28.750 28.750 31.570 -2.820 25588 3040 1 4 . 1 1 109 109 MET H H 109 8.247 8.247 8.522 -0.275 25588 3041 1 4 . 1 1 110 110 THR N N 110 114.900 114.900 115.619 -0.719 25588 3042 1 4 . 1 1 110 110 THR HA H 110 4.152 4.152 3.910 0.242 25588 3043 1 4 . 1 1 110 110 THR C C 110 175.000 175.000 176.897 -1.897 25588 3044 1 4 . 1 1 110 110 THR CA C 110 63.270 63.270 66.166 -2.896 25588 3045 1 4 . 1 1 110 110 THR CB C 110 66.230 66.230 68.391 -2.161 25588 3046 1 4 . 1 1 110 110 THR H H 110 8.125 8.125 8.239 -0.114 25588 3047 1 4 . 1 1 111 111 ASN N N 111 122.200 122.200 119.456 2.744 25588 3048 1 4 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.371 0.066 25588 3049 1 4 . 1 1 111 111 ASN C C 111 173.700 173.700 177.113 -3.413 25588 3050 1 4 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.602 -2.531 25588 3051 1 4 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.376 -2.556 25588 3052 1 4 . 1 1 111 111 ASN H H 111 7.867 7.867 7.626 0.241 25588 3053 1 4 . 1 1 112 112 LEU N N 112 119.100 119.100 119.536 -0.436 25588 3054 1 4 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.093 0.240 25588 3055 1 4 . 1 1 112 112 LEU C C 112 174.700 174.700 176.742 -2.042 25588 3056 1 4 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.339 -3.579 25588 3057 1 4 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.600 -3.150 25588 3058 1 4 . 1 1 112 112 LEU H H 112 7.850 7.850 7.430 0.420 25588 3059 1 4 . 1 1 113 113 GLY N N 113 106.800 106.800 104.438 2.362 25588 3060 1 4 . 1 1 113 113 GLY C C 113 171.700 171.700 172.488 -0.788 25588 3061 1 4 . 1 1 113 113 GLY CA C 113 42.790 42.790 44.974 -2.184 25588 3062 1 4 . 1 1 113 113 GLY H H 113 7.830 7.830 7.322 0.508 25588 3063 1 4 . 1 1 114 114 GLU N N 114 120.600 120.600 120.367 0.233 25588 3064 1 4 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.652 -0.252 25588 3065 1 4 . 1 1 114 114 GLU C C 114 172.800 172.800 177.137 -4.337 25588 3066 1 4 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.015 -3.345 25588 3067 1 4 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.302 -2.342 25588 3068 1 4 . 1 1 114 114 GLU H H 114 7.914 7.914 8.667 -0.753 25588 3069 1 4 . 1 1 115 115 LYS N N 115 124.000 124.000 120.277 3.723 25588 3070 1 4 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.107 0.250 25588 3071 1 4 . 1 1 115 115 LYS C C 115 173.000 173.000 176.166 -3.166 25588 3072 1 4 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.572 -5.551 25588 3073 1 4 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.911 -3.501 25588 3074 1 4 . 1 1 115 115 LYS H H 115 8.505 8.505 8.452 0.053 25588 3075 1 4 . 1 1 116 116 LEU N N 116 125.000 125.000 115.706 9.294 25588 3076 1 4 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.775 -0.016 25588 3077 1 4 . 1 1 116 116 LEU C C 116 175.300 175.300 176.438 -1.138 25588 3078 1 4 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.436 -1.016 25588 3079 1 4 . 1 1 116 116 LEU CB C 116 42.110 42.110 44.513 -2.403 25588 3080 1 4 . 1 1 116 116 LEU H H 116 8.076 8.076 7.580 0.496 25588 3081 1 4 . 1 1 117 117 THR N N 117 114.500 114.500 109.853 4.647 25588 3082 1 4 . 1 1 117 117 THR HA H 117 4.453 4.453 4.311 0.142 25588 3083 1 4 . 1 1 117 117 THR C C 117 172.800 172.800 174.266 -1.466 25588 3084 1 4 . 1 1 117 117 THR CA C 117 57.970 57.970 61.520 -3.550 25588 3085 1 4 . 1 1 117 117 THR CB C 117 68.610 68.610 70.060 -1.450 25588 3086 1 4 . 1 1 117 117 THR H H 117 9.116 9.116 8.212 0.904 25588 3087 1 4 . 1 1 118 118 ASP N N 118 121.000 121.000 119.146 1.854 25588 3088 1 4 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.636 -0.440 25588 3089 1 4 . 1 1 118 118 ASP C C 118 175.900 175.900 177.549 -1.649 25588 3090 1 4 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.207 -0.847 25588 3091 1 4 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.880 -3.770 25588 3092 1 4 . 1 1 118 118 ASP H H 118 8.847 8.847 8.653 0.194 25588 3093 1 4 . 1 1 119 119 GLU N N 119 119.100 119.100 119.320 -0.220 25588 3094 1 4 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.407 -0.337 25588 3095 1 4 . 1 1 119 119 GLU C C 119 176.500 176.500 177.471 -0.971 25588 3096 1 4 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.576 -1.296 25588 3097 1 4 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.597 -3.167 25588 3098 1 4 . 1 1 119 119 GLU H H 119 8.626 8.626 8.410 0.216 25588 3099 1 4 . 1 1 120 120 GLU N N 120 120.500 120.500 118.648 1.852 25588 3100 1 4 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.035 -0.045 25588 3101 1 4 . 1 1 120 120 GLU C C 120 177.400 177.400 178.692 -1.292 25588 3102 1 4 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.320 -2.730 25588 3103 1 4 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.024 -0.234 25588 3104 1 4 . 1 1 120 120 GLU H H 120 7.724 7.724 8.854 -1.130 25588 3105 1 4 . 1 1 121 121 VAL N N 121 121.100 121.100 114.553 6.547 25588 3106 1 4 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.768 -0.181 25588 3107 1 4 . 1 1 121 121 VAL C C 121 174.600 174.600 177.617 -3.017 25588 3108 1 4 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.535 -1.225 25588 3109 1 4 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.496 -3.116 25588 3110 1 4 . 1 1 121 121 VAL H H 121 8.062 8.062 7.840 0.222 25588 3111 1 4 . 1 1 122 122 ASP N N 122 119.600 119.600 121.873 -2.273 25588 3112 1 4 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.336 -0.027 25588 3113 1 4 . 1 1 122 122 ASP C C 122 176.500 176.500 178.922 -2.422 25588 3114 1 4 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.269 -2.269 25588 3115 1 4 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.118 -2.218 25588 3116 1 4 . 1 1 122 122 ASP H H 122 8.007 8.007 7.742 0.265 25588 3117 1 4 . 1 1 123 123 GLU N N 123 119.300 119.300 119.002 0.298 25588 3118 1 4 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.071 -0.073 25588 3119 1 4 . 1 1 123 123 GLU C C 123 175.400 175.400 178.746 -3.346 25588 3120 1 4 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.509 -1.849 25588 3121 1 4 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.432 -2.642 25588 3122 1 4 . 1 1 123 123 GLU H H 123 7.967 7.967 8.036 -0.069 25588 3123 1 4 . 1 1 124 124 MET N N 124 119.600 119.600 120.280 -0.680 25588 3124 1 4 . 1 1 124 124 MET HA H 124 4.033 4.033 4.248 -0.215 25588 3125 1 4 . 1 1 124 124 MET C C 124 176.500 176.500 178.338 -1.838 25588 3126 1 4 . 1 1 124 124 MET CA C 124 56.970 56.970 58.309 -1.339 25588 3127 1 4 . 1 1 124 124 MET CB C 124 30.470 30.470 32.414 -1.944 25588 3128 1 4 . 1 1 124 124 MET H H 124 7.789 7.789 8.103 -0.314 25588 3129 1 4 . 1 1 125 125 ILE N N 125 118.500 118.500 116.569 1.931 25588 3130 1 4 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.774 -0.275 25588 3131 1 4 . 1 1 125 125 ILE C C 125 174.600 174.600 177.246 -2.646 25588 3132 1 4 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.602 -2.412 25588 3133 1 4 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.516 -4.006 25588 3134 1 4 . 1 1 125 125 ILE H H 125 7.940 7.940 7.905 0.035 25588 3135 1 4 . 1 1 126 126 ARG N N 126 118.300 118.300 119.440 -1.140 25588 3136 1 4 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.067 -0.059 25588 3137 1 4 . 1 1 126 126 ARG C C 126 176.800 176.800 178.242 -1.442 25588 3138 1 4 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.370 -2.270 25588 3139 1 4 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.416 -2.846 25588 3140 1 4 . 1 1 126 126 ARG H H 126 8.168 8.168 7.251 0.917 25588 3141 1 4 . 1 1 127 127 GLU N N 127 116.300 116.300 119.664 -3.364 25588 3142 1 4 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.195 -0.212 25588 3143 1 4 . 1 1 127 127 GLU C C 127 174.700 174.700 177.526 -2.826 25588 3144 1 4 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.282 -2.402 25588 3145 1 4 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.515 -2.575 25588 3146 1 4 . 1 1 127 127 GLU H H 127 7.918 7.918 8.056 -0.138 25588 3147 1 4 . 1 1 128 128 ALA N N 128 119.100 119.100 120.073 -0.973 25588 3148 1 4 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.015 0.403 25588 3149 1 4 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.771 -4.261 25588 3150 1 4 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.778 -0.038 25588 3151 1 4 . 1 1 128 128 ALA H H 128 7.354 7.354 7.634 -0.280 25588 3152 1 4 . 1 1 129 129 ASP N N 129 117.400 117.400 117.781 -0.381 25588 3153 1 4 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.643 -0.141 25588 3154 1 4 . 1 1 129 129 ASP C C 129 173.400 173.400 177.074 -3.674 25588 3155 1 4 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.097 -1.687 25588 3156 1 4 . 1 1 129 129 ASP CB C 129 37.700 37.700 41.919 -4.218 25588 3157 1 4 . 1 1 129 129 ASP H H 129 7.871 7.871 7.593 0.278 25588 3158 1 4 . 1 1 130 130 ILE N N 130 128.000 128.000 121.980 6.020 25588 3159 1 4 . 1 1 130 130 ILE HA H 130 3.917 3.917 3.871 0.046 25588 3160 1 4 . 1 1 130 130 ILE C C 130 175.300 175.300 176.800 -1.500 25588 3161 1 4 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.754 -2.044 25588 3162 1 4 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.429 -1.619 25588 3163 1 4 . 1 1 130 130 ILE H H 130 8.384 8.384 8.472 -0.088 25588 3164 1 4 . 1 1 131 131 ASP N N 131 116.800 116.800 121.979 -5.179 25588 3165 1 4 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.449 0.101 25588 3166 1 4 . 1 1 131 131 ASP C C 131 175.600 175.600 177.597 -1.997 25588 3167 1 4 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.090 -4.870 25588 3168 1 4 . 1 1 131 131 ASP CB C 131 37.230 37.230 40.822 -3.592 25588 3169 1 4 . 1 1 131 131 ASP H H 131 8.281 8.281 7.906 0.375 25588 3170 1 4 . 1 1 132 132 GLY N N 132 108.500 108.500 106.315 2.185 25588 3171 1 4 . 1 1 132 132 GLY C C 132 172.600 172.600 174.703 -2.103 25588 3172 1 4 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.059 -1.209 25588 3173 1 4 . 1 1 132 132 GLY H H 132 7.575 7.575 8.834 -1.259 25588 3174 1 4 . 1 1 133 133 ASP N N 133 120.800 120.800 118.888 1.912 25588 3175 1 4 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.575 -0.111 25588 3176 1 4 . 1 1 133 133 ASP C C 133 174.900 174.900 177.097 -2.197 25588 3177 1 4 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.487 -2.497 25588 3178 1 4 . 1 1 133 133 ASP CB C 133 37.590 37.590 41.121 -3.531 25588 3179 1 4 . 1 1 133 133 ASP H H 133 8.326 8.326 7.955 0.371 25588 3180 1 4 . 1 1 134 134 GLY N N 134 112.900 112.900 109.135 3.765 25588 3181 1 4 . 1 1 134 134 GLY C C 134 170.200 170.200 172.491 -2.291 25588 3182 1 4 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.292 -2.242 25588 3183 1 4 . 1 1 134 134 GLY H H 134 10.310 10.310 7.734 2.576 25588 3184 1 4 . 1 1 135 135 GLN N N 135 115.400 115.400 120.209 -4.809 25588 3185 1 4 . 1 1 135 135 GLN HA H 135 4.860 4.860 5.076 -0.216 25588 3186 1 4 . 1 1 135 135 GLN C C 135 172.100 172.100 173.641 -1.541 25588 3187 1 4 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.533 -4.003 25588 3188 1 4 . 1 1 135 135 GLN CB C 135 30.020 30.020 33.067 -3.047 25588 3189 1 4 . 1 1 135 135 GLN H H 135 7.937 7.937 8.081 -0.144 25588 3190 1 4 . 1 1 136 136 VAL N N 136 125.500 125.500 121.512 3.988 25588 3191 1 4 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.657 0.533 25588 3192 1 4 . 1 1 136 136 VAL C C 136 173.200 173.200 174.494 -1.294 25588 3193 1 4 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.719 -1.619 25588 3194 1 4 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.939 -4.019 25588 3195 1 4 . 1 1 136 136 VAL H H 136 9.112 9.112 8.918 0.194 25588 3196 1 4 . 1 1 137 137 ASN N N 137 129.000 129.000 122.875 6.125 25588 3197 1 4 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.258 -0.026 25588 3198 1 4 . 1 1 137 137 ASN C C 137 172.200 172.200 174.898 -2.698 25588 3199 1 4 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.967 -3.506 25588 3200 1 4 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.709 -6.019 25588 3201 1 4 . 1 1 137 137 ASN H H 137 9.509 9.509 8.334 1.175 25588 3202 1 4 . 1 1 138 138 TYR N N 138 118.400 118.400 122.893 -4.493 25588 3203 1 4 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.388 -0.964 25588 3204 1 4 . 1 1 138 138 TYR C C 138 173.500 173.500 177.202 -3.702 25588 3205 1 4 . 1 1 138 138 TYR CA C 138 60.030 60.030 63.003 -2.973 25588 3206 1 4 . 1 1 138 138 TYR H H 138 8.420 8.420 9.307 -0.887 25588 3207 1 4 . 1 1 139 139 GLU N N 139 118.400 118.400 117.283 1.117 25588 3208 1 4 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.928 -0.287 25588 3209 1 4 . 1 1 139 139 GLU C C 139 177.900 177.900 179.199 -1.299 25588 3210 1 4 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.413 -2.673 25588 3211 1 4 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.627 -2.237 25588 3212 1 4 . 1 1 139 139 GLU H H 139 8.066 8.066 9.113 -1.047 25588 3213 1 4 . 1 1 140 140 GLU N N 140 119.900 119.900 119.630 0.270 25588 3214 1 4 . 1 1 140 140 GLU C C 140 176.700 176.700 178.681 -1.981 25588 3215 1 4 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.803 -2.903 25588 3216 1 4 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.370 -2.170 25588 3217 1 4 . 1 1 140 140 GLU H H 140 8.728 8.728 7.482 1.246 25588 3218 1 4 . 1 1 141 141 PHE N N 141 124.600 124.600 119.672 4.928 25588 3219 1 4 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.119 -0.135 25588 3220 1 4 . 1 1 141 141 PHE C C 141 174.200 174.200 177.732 -3.532 25588 3221 1 4 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.956 -2.997 25588 3222 1 4 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.500 -1.230 25588 3223 1 4 . 1 1 141 141 PHE H H 141 8.920 8.920 7.666 1.254 25588 3224 1 4 . 1 1 142 142 VAL N N 142 119.300 119.300 117.902 1.398 25588 3225 1 4 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.519 -0.398 25588 3226 1 4 . 1 1 142 142 VAL C C 142 176.900 176.900 177.384 -0.484 25588 3227 1 4 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.530 -2.100 25588 3228 1 4 . 1 1 142 142 VAL H H 142 8.536 8.536 7.494 1.042 25588 3229 1 4 . 1 1 143 143 GLN N N 143 118.200 118.200 116.896 1.304 25588 3230 1 4 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.112 -0.261 25588 3231 1 4 . 1 1 143 143 GLN C C 143 175.300 175.300 178.608 -3.308 25588 3232 1 4 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.549 -1.289 25588 3233 1 4 . 1 1 143 143 GLN H H 143 7.404 7.404 7.278 0.126 25588 3234 1 4 . 1 1 144 144 MET N N 144 119.400 119.400 119.276 0.124 25588 3235 1 4 . 1 1 144 144 MET HA H 144 4.107 4.107 4.204 -0.097 25588 3236 1 4 . 1 1 144 144 MET C C 144 175.400 175.400 176.739 -1.339 25588 3237 1 4 . 1 1 144 144 MET CA C 144 55.500 55.500 58.181 -2.681 25588 3238 1 4 . 1 1 144 144 MET CB C 144 30.460 30.460 33.273 -2.813 25588 3239 1 4 . 1 1 144 144 MET H H 144 7.878 7.878 7.755 0.123 25588 3240 1 4 . 1 1 145 145 MET N N 145 115.000 115.000 117.216 -2.216 25588 3241 1 4 . 1 1 145 145 MET HA H 145 4.281 4.281 4.578 -0.297 25588 3242 1 4 . 1 1 145 145 MET C C 145 174.900 174.900 175.124 -0.224 25588 3243 1 4 . 1 1 145 145 MET CA C 145 52.740 52.740 56.182 -3.442 25588 3244 1 4 . 1 1 145 145 MET H H 145 7.852 7.852 7.535 0.317 25588 3245 1 4 . 1 1 146 146 THR N N 146 111.100 111.100 118.410 -7.310 25588 3246 1 4 . 1 1 146 146 THR HA H 146 4.306 4.306 4.367 -0.061 25588 3247 1 4 . 1 1 146 146 THR C C 146 171.600 171.600 173.441 -1.841 25588 3248 1 4 . 1 1 146 146 THR CA C 146 59.830 59.830 62.171 -2.341 25588 3249 1 4 . 1 1 146 146 THR CB C 146 67.510 67.510 68.138 -0.628 25588 3250 1 4 . 1 1 146 146 THR H H 146 7.571 7.571 8.581 -1.010 25588 3251 1 4 . 1 1 147 147 ALA N N 147 126.300 126.300 125.683 0.617 25588 3252 1 4 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.083 0.217 25588 3253 1 4 . 1 1 147 147 ALA C C 147 174.000 174.000 177.477 -3.477 25588 3254 1 4 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.180 -3.990 25588 3255 1 4 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.408 -2.928 25588 3256 1 4 . 1 1 147 147 ALA H H 147 7.723 7.723 8.131 -0.408 25588 3257 1 5 . 1 1 2 2 ASP N N 2 118.400 118.400 121.739 -3.339 25588 3258 1 5 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.634 -0.020 25588 3259 1 5 . 1 1 2 2 ASP C C 2 173.000 173.000 176.584 -3.584 25588 3260 1 5 . 1 1 2 2 ASP CA C 2 52.020 52.020 53.868 -1.848 25588 3261 1 5 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.724 -2.904 25588 3262 1 5 . 1 1 2 2 ASP H H 2 8.311 8.311 8.405 -0.094 25588 3263 1 5 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.280 0.074 25588 3264 1 5 . 1 1 3 3 GLN C C 3 173.000 173.000 175.963 -2.963 25588 3265 1 5 . 1 1 3 3 GLN CA C 3 52.910 52.910 55.687 -2.777 25588 3266 1 5 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.244 -2.094 25588 3267 1 5 . 1 1 3 3 GLN H H 3 8.321 8.321 8.601 -0.280 25588 3268 1 5 . 1 1 4 4 LEU N N 4 123.200 123.200 121.781 1.419 25588 3269 1 5 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.452 0.198 25588 3270 1 5 . 1 1 4 4 LEU C C 4 175.100 175.100 176.429 -1.329 25588 3271 1 5 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.420 -2.630 25588 3272 1 5 . 1 1 4 4 LEU CB C 4 40.860 40.860 42.465 -1.605 25588 3273 1 5 . 1 1 4 4 LEU H H 4 8.268 8.268 8.122 0.146 25588 3274 1 5 . 1 1 5 5 THR N N 5 113.000 113.000 116.272 -3.272 25588 3275 1 5 . 1 1 5 5 THR HA H 5 4.754 4.754 4.456 0.298 25588 3276 1 5 . 1 1 5 5 THR C C 5 172.800 172.800 175.529 -2.729 25588 3277 1 5 . 1 1 5 5 THR CA C 5 57.880 57.880 60.378 -2.498 25588 3278 1 5 . 1 1 5 5 THR CB C 5 68.480 68.480 70.680 -2.200 25588 3279 1 5 . 1 1 5 5 THR H H 5 8.682 8.682 8.191 0.491 25588 3280 1 5 . 1 1 6 6 GLU N N 6 120.500 120.500 122.093 -1.593 25588 3281 1 5 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.009 -0.046 25588 3282 1 5 . 1 1 6 6 GLU C C 6 176.800 176.800 178.379 -1.579 25588 3283 1 5 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.346 -1.916 25588 3284 1 5 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.506 -2.986 25588 3285 1 5 . 1 1 6 6 GLU H H 6 8.990 8.990 9.007 -0.017 25588 3286 1 5 . 1 1 7 7 GLU N N 7 119.600 119.600 118.605 0.995 25588 3287 1 5 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.026 0.043 25588 3288 1 5 . 1 1 7 7 GLU C C 7 176.500 176.500 179.025 -2.525 25588 3289 1 5 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.467 -2.087 25588 3290 1 5 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.283 -2.853 25588 3291 1 5 . 1 1 7 7 GLU H H 7 8.668 8.668 8.745 -0.077 25588 3292 1 5 . 1 1 8 8 GLN N N 8 120.100 120.100 117.995 2.105 25588 3293 1 5 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.330 -0.461 25588 3294 1 5 . 1 1 8 8 GLN C C 8 175.700 175.700 178.718 -3.018 25588 3295 1 5 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.428 -2.478 25588 3296 1 5 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.887 -2.077 25588 3297 1 5 . 1 1 8 8 GLN H H 8 7.721 7.721 7.639 0.082 25588 3298 1 5 . 1 1 9 9 ILE N N 9 119.600 119.600 119.856 -0.256 25588 3299 1 5 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.693 0.019 25588 3300 1 5 . 1 1 9 9 ILE C C 9 175.100 175.100 177.909 -2.809 25588 3301 1 5 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.630 -1.100 25588 3302 1 5 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.834 -2.754 25588 3303 1 5 . 1 1 9 9 ILE H H 9 8.373 8.373 7.316 1.057 25588 3304 1 5 . 1 1 10 10 ALA N N 10 121.300 121.300 122.458 -1.158 25588 3305 1 5 . 1 1 10 10 ALA C C 10 178.400 178.400 179.232 -0.832 25588 3306 1 5 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.498 -2.708 25588 3307 1 5 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.929 -2.569 25588 3308 1 5 . 1 1 10 10 ALA H H 10 7.984 7.984 8.362 -0.378 25588 3309 1 5 . 1 1 11 11 GLU N N 11 119.500 119.500 119.137 0.363 25588 3310 1 5 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.885 0.262 25588 3311 1 5 . 1 1 11 11 GLU C C 11 177.900 177.900 179.194 -1.294 25588 3312 1 5 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.295 -2.625 25588 3313 1 5 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.353 -2.853 25588 3314 1 5 . 1 1 11 11 GLU H H 11 7.779 7.779 7.913 -0.134 25588 3315 1 5 . 1 1 12 12 PHE N N 12 120.200 120.200 117.550 2.650 25588 3316 1 5 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.210 0.810 25588 3317 1 5 . 1 1 12 12 PHE C C 12 176.100 176.100 177.630 -1.530 25588 3318 1 5 . 1 1 12 12 PHE CA C 12 56.610 56.610 60.805 -4.195 25588 3319 1 5 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.816 -3.536 25588 3320 1 5 . 1 1 12 12 PHE H H 12 8.562 8.562 8.016 0.546 25588 3321 1 5 . 1 1 13 13 LYS N N 13 123.500 123.500 119.537 3.963 25588 3322 1 5 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.062 -0.073 25588 3323 1 5 . 1 1 13 13 LYS C C 13 176.700 176.700 179.541 -2.841 25588 3324 1 5 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.408 -1.888 25588 3325 1 5 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.494 -3.184 25588 3326 1 5 . 1 1 13 13 LYS H H 13 9.161 9.161 7.473 1.688 25588 3327 1 5 . 1 1 14 14 GLU N N 14 120.400 120.400 118.987 1.413 25588 3328 1 5 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.175 -0.050 25588 3329 1 5 . 1 1 14 14 GLU C C 14 176.800 176.800 178.806 -2.006 25588 3330 1 5 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.822 -2.092 25588 3331 1 5 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.266 -2.666 25588 3332 1 5 . 1 1 14 14 GLU H H 14 7.786 7.786 8.760 -0.974 25588 3333 1 5 . 1 1 15 15 ALA N N 15 122.600 122.600 122.002 0.598 25588 3334 1 5 . 1 1 15 15 ALA HA H 15 4.283 4.283 4.086 0.197 25588 3335 1 5 . 1 1 15 15 ALA C C 15 176.400 176.400 179.034 -2.634 25588 3336 1 5 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.551 -1.961 25588 3337 1 5 . 1 1 15 15 ALA CB C 15 15.540 15.540 17.787 -2.247 25588 3338 1 5 . 1 1 15 15 ALA H H 15 7.981 7.981 7.926 0.055 25588 3339 1 5 . 1 1 16 16 PHE N N 16 119.400 119.400 119.814 -0.414 25588 3340 1 5 . 1 1 16 16 PHE HA H 16 3.206 3.206 3.953 -0.747 25588 3341 1 5 . 1 1 16 16 PHE C C 16 174.600 174.600 176.944 -2.344 25588 3342 1 5 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.201 -1.841 25588 3343 1 5 . 1 1 16 16 PHE CB C 16 37.040 37.040 38.877 -1.837 25588 3344 1 5 . 1 1 16 16 PHE H H 16 8.796 8.796 7.923 0.873 25588 3345 1 5 . 1 1 17 17 SER N N 17 112.600 112.600 114.816 -2.216 25588 3346 1 5 . 1 1 17 17 SER HA H 17 4.028 4.028 3.882 0.146 25588 3347 1 5 . 1 1 17 17 SER C C 17 172.400 172.400 176.320 -3.920 25588 3348 1 5 . 1 1 17 17 SER CA C 17 58.820 58.820 61.757 -2.937 25588 3349 1 5 . 1 1 17 17 SER CB C 17 60.680 60.680 62.719 -2.039 25588 3350 1 5 . 1 1 17 17 SER H H 17 7.898 7.898 7.860 0.038 25588 3351 1 5 . 1 1 18 18 LEU N N 18 121.000 121.000 122.779 -1.779 25588 3352 1 5 . 1 1 18 18 LEU HA H 18 3.995 3.995 4.045 -0.050 25588 3353 1 5 . 1 1 18 18 LEU C C 18 175.300 175.300 178.323 -3.023 25588 3354 1 5 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.812 -3.322 25588 3355 1 5 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.811 -2.941 25588 3356 1 5 . 1 1 18 18 LEU H H 18 7.426 7.426 7.182 0.244 25588 3357 1 5 . 1 1 19 19 PHE N N 19 115.200 115.200 117.073 -1.873 25588 3358 1 5 . 1 1 19 19 PHE C C 19 174.100 174.100 178.313 -4.213 25588 3359 1 5 . 1 1 19 19 PHE CA C 19 56.640 56.640 60.151 -3.511 25588 3360 1 5 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.490 -0.240 25588 3361 1 5 . 1 1 19 19 PHE H H 19 7.309 7.309 8.479 -1.170 25588 3362 1 5 . 1 1 20 20 ASP N N 20 117.700 117.700 119.034 -1.334 25588 3363 1 5 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.511 0.029 25588 3364 1 5 . 1 1 20 20 ASP C C 20 174.500 174.500 178.276 -3.776 25588 3365 1 5 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.889 -5.168 25588 3366 1 5 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.640 -4.440 25588 3367 1 5 . 1 1 20 20 ASP H H 20 7.814 7.814 7.776 0.038 25588 3368 1 5 . 1 1 21 21 LYS N N 21 124.400 124.400 119.232 5.168 25588 3369 1 5 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.852 0.102 25588 3370 1 5 . 1 1 21 21 LYS C C 21 175.500 175.500 177.632 -2.132 25588 3371 1 5 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.060 -3.170 25588 3372 1 5 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.236 -2.176 25588 3373 1 5 . 1 1 21 21 LYS H H 21 7.652 7.652 7.692 -0.040 25588 3374 1 5 . 1 1 22 22 ASP N N 22 113.900 113.900 116.902 -3.002 25588 3375 1 5 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.360 0.225 25588 3376 1 5 . 1 1 22 22 ASP C C 22 175.000 175.000 177.077 -2.077 25588 3377 1 5 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.644 -5.514 25588 3378 1 5 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.915 -4.005 25588 3379 1 5 . 1 1 22 22 ASP H H 22 8.056 8.056 7.685 0.371 25588 3380 1 5 . 1 1 23 23 GLY N N 23 109.200 109.200 108.892 0.308 25588 3381 1 5 . 1 1 23 23 GLY C C 23 172.300 172.300 173.589 -1.289 25588 3382 1 5 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.488 0.102 25588 3383 1 5 . 1 1 23 23 GLY H H 23 7.660 7.660 7.726 -0.066 25588 3384 1 5 . 1 1 24 24 ASP N N 24 118.600 118.600 119.714 -1.114 25588 3385 1 5 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.467 0.150 25588 3386 1 5 . 1 1 24 24 ASP C C 24 174.200 174.200 175.782 -1.582 25588 3387 1 5 . 1 1 24 24 ASP CA C 24 49.970 49.970 54.955 -4.984 25588 3388 1 5 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.129 -6.039 25588 3389 1 5 . 1 1 24 24 ASP H H 24 8.052 8.052 8.414 -0.362 25588 3390 1 5 . 1 1 25 25 GLY N N 25 113.400 113.400 106.817 6.583 25588 3391 1 5 . 1 1 25 25 GLY C C 25 170.600 170.600 173.171 -2.571 25588 3392 1 5 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.120 -1.960 25588 3393 1 5 . 1 1 25 25 GLY H H 25 10.570 10.570 7.634 2.936 25588 3394 1 5 . 1 1 26 26 THR N N 26 109.100 109.100 117.059 -7.959 25588 3395 1 5 . 1 1 26 26 THR HA H 26 5.271 5.271 4.597 0.674 25588 3396 1 5 . 1 1 26 26 THR C C 26 170.200 170.200 172.613 -2.413 25588 3397 1 5 . 1 1 26 26 THR CA C 26 57.170 57.170 62.010 -4.840 25588 3398 1 5 . 1 1 26 26 THR CB C 26 69.920 69.920 72.590 -2.670 25588 3399 1 5 . 1 1 26 26 THR H H 26 7.661 7.661 8.171 -0.510 25588 3400 1 5 . 1 1 27 27 ILE N N 27 127.100 127.100 125.671 1.429 25588 3401 1 5 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.853 0.118 25588 3402 1 5 . 1 1 27 27 ILE C C 27 173.400 173.400 174.837 -1.437 25588 3403 1 5 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.080 -2.260 25588 3404 1 5 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.943 -3.223 25588 3405 1 5 . 1 1 27 27 ILE H H 27 9.766 9.766 8.352 1.414 25588 3406 1 5 . 1 1 28 28 THR N N 28 116.500 116.500 117.348 -0.848 25588 3407 1 5 . 1 1 28 28 THR HA H 28 4.802 4.802 5.016 -0.214 25588 3408 1 5 . 1 1 28 28 THR C C 28 173.900 173.900 175.942 -2.042 25588 3409 1 5 . 1 1 28 28 THR CA C 28 56.980 56.980 59.662 -2.682 25588 3410 1 5 . 1 1 28 28 THR CB C 28 69.730 69.730 72.019 -2.289 25588 3411 1 5 . 1 1 28 28 THR H H 28 8.458 8.458 8.379 0.079 25588 3412 1 5 . 1 1 29 29 THR N N 29 112.900 112.900 112.677 0.223 25588 3413 1 5 . 1 1 29 29 THR HA H 29 4.169 4.169 3.983 0.186 25588 3414 1 5 . 1 1 29 29 THR C C 29 174.500 174.500 176.478 -1.978 25588 3415 1 5 . 1 1 29 29 THR CA C 29 63.940 63.940 66.214 -2.274 25588 3416 1 5 . 1 1 29 29 THR CB C 29 65.170 65.170 68.467 -3.297 25588 3417 1 5 . 1 1 29 29 THR H H 29 9.066 9.066 8.773 0.293 25588 3418 1 5 . 1 1 30 30 LYS N N 30 120.800 120.800 121.735 -0.935 25588 3419 1 5 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.914 0.197 25588 3420 1 5 . 1 1 30 30 LYS C C 30 177.200 177.200 178.814 -1.614 25588 3421 1 5 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.452 -2.922 25588 3422 1 5 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.195 -2.235 25588 3423 1 5 . 1 1 30 30 LYS H H 30 7.664 7.664 7.640 0.024 25588 3424 1 5 . 1 1 31 31 GLU N N 31 121.400 121.400 119.193 2.207 25588 3425 1 5 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.810 0.255 25588 3426 1 5 . 1 1 31 31 GLU C C 31 176.500 176.500 179.141 -2.641 25588 3427 1 5 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.660 -2.080 25588 3428 1 5 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.321 -2.161 25588 3429 1 5 . 1 1 31 31 GLU H H 31 7.635 7.635 7.340 0.295 25588 3430 1 5 . 1 1 32 32 LEU N N 32 120.600 120.600 121.743 -1.143 25588 3431 1 5 . 1 1 32 32 LEU HA H 32 4.082 4.082 3.719 0.363 25588 3432 1 5 . 1 1 32 32 LEU C C 32 176.300 176.300 178.376 -2.076 25588 3433 1 5 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.011 -1.601 25588 3434 1 5 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.768 -1.798 25588 3435 1 5 . 1 1 32 32 LEU H H 32 8.699 8.699 7.556 1.143 25588 3436 1 5 . 1 1 33 33 GLY N N 33 105.600 105.600 104.349 1.251 25588 3437 1 5 . 1 1 33 33 GLY C C 33 172.500 172.500 176.153 -3.653 25588 3438 1 5 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.521 -1.801 25588 3439 1 5 . 1 1 33 33 GLY H H 33 8.616 8.616 8.837 -0.221 25588 3440 1 5 . 1 1 34 34 THR N N 34 118.000 118.000 119.052 -1.052 25588 3441 1 5 . 1 1 34 34 THR HA H 34 3.913 3.913 4.013 -0.100 25588 3442 1 5 . 1 1 34 34 THR C C 34 174.500 174.500 176.573 -2.073 25588 3443 1 5 . 1 1 34 34 THR CA C 34 64.250 64.250 65.750 -1.500 25588 3444 1 5 . 1 1 34 34 THR CB C 34 66.100 66.100 68.494 -2.394 25588 3445 1 5 . 1 1 34 34 THR H H 34 7.867 7.867 7.282 0.585 25588 3446 1 5 . 1 1 35 35 VAL N N 35 122.100 122.100 122.415 -0.315 25588 3447 1 5 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.771 -0.313 25588 3448 1 5 . 1 1 35 35 VAL C C 35 176.500 176.500 177.119 -0.619 25588 3449 1 5 . 1 1 35 35 VAL CA C 35 63.630 63.630 66.305 -2.675 25588 3450 1 5 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.053 -2.933 25588 3451 1 5 . 1 1 35 35 VAL H H 35 7.613 7.613 8.660 -1.047 25588 3452 1 5 . 1 1 36 36 MET N N 36 118.400 118.400 117.545 0.855 25588 3453 1 5 . 1 1 36 36 MET HA H 36 4.095 4.095 4.044 0.051 25588 3454 1 5 . 1 1 36 36 MET C C 36 176.500 176.500 178.017 -1.517 25588 3455 1 5 . 1 1 36 36 MET CA C 36 56.420 56.420 57.578 -1.159 25588 3456 1 5 . 1 1 36 36 MET H H 36 8.440 8.440 7.511 0.929 25588 3457 1 5 . 1 1 37 37 ARG N N 37 119.000 119.000 118.852 0.148 25588 3458 1 5 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.023 0.778 25588 3459 1 5 . 1 1 37 37 ARG C C 37 178.500 178.500 179.566 -1.066 25588 3460 1 5 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.387 -2.967 25588 3461 1 5 . 1 1 37 37 ARG H H 37 8.474 8.474 7.806 0.668 25588 3462 1 5 . 1 1 38 38 SER N N 38 118.800 118.800 116.452 2.348 25588 3463 1 5 . 1 1 38 38 SER HA H 38 4.380 4.380 4.220 0.160 25588 3464 1 5 . 1 1 38 38 SER C C 38 172.200 172.200 176.310 -4.110 25588 3465 1 5 . 1 1 38 38 SER CA C 38 58.930 58.930 61.260 -2.330 25588 3466 1 5 . 1 1 38 38 SER CB C 38 60.200 60.200 63.159 -2.959 25588 3467 1 5 . 1 1 38 38 SER H H 38 7.899 7.899 7.795 0.104 25588 3468 1 5 . 1 1 39 39 LEU N N 39 120.600 120.600 118.835 1.765 25588 3469 1 5 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.477 0.018 25588 3470 1 5 . 1 1 39 39 LEU C C 39 174.800 174.800 177.815 -3.015 25588 3471 1 5 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.255 -2.325 25588 3472 1 5 . 1 1 39 39 LEU H H 39 7.364 7.364 7.852 -0.488 25588 3473 1 5 . 1 1 40 40 GLY N N 40 106.800 106.800 108.928 -2.128 25588 3474 1 5 . 1 1 40 40 GLY C C 40 171.700 171.700 174.193 -2.493 25588 3475 1 5 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.492 -3.522 25588 3476 1 5 . 1 1 40 40 GLY H H 40 7.862 7.862 7.934 -0.072 25588 3477 1 5 . 1 1 41 41 GLN N N 41 118.400 118.400 122.508 -4.108 25588 3478 1 5 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.477 0.003 25588 3479 1 5 . 1 1 41 41 GLN C C 41 171.400 171.400 173.513 -2.113 25588 3480 1 5 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.093 -3.203 25588 3481 1 5 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.172 -3.092 25588 3482 1 5 . 1 1 41 41 GLN H H 41 7.788 7.788 8.466 -0.678 25588 3483 1 5 . 1 1 42 42 ASN N N 42 116.300 116.300 123.839 -7.539 25588 3484 1 5 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.369 -0.176 25588 3485 1 5 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.929 -1.309 25588 3486 1 5 . 1 1 42 42 ASN H H 42 8.665 8.665 8.134 0.531 25588 3487 1 5 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.070 0.665 25588 3488 1 5 . 1 1 43 43 PRO C C 43 175.100 175.100 178.560 -3.460 25588 3489 1 5 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.677 -5.897 25588 3490 1 5 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.565 -2.175 25588 3491 1 5 . 1 1 44 44 THR N N 44 112.900 112.900 112.874 0.026 25588 3492 1 5 . 1 1 44 44 THR HA H 44 4.707 4.707 3.959 0.748 25588 3493 1 5 . 1 1 44 44 THR C C 44 172.600 172.600 176.842 -4.242 25588 3494 1 5 . 1 1 44 44 THR CA C 44 57.830 57.830 66.401 -8.571 25588 3495 1 5 . 1 1 44 44 THR CB C 44 68.490 68.490 68.218 0.272 25588 3496 1 5 . 1 1 44 44 THR H H 44 8.702 8.702 7.906 0.796 25588 3497 1 5 . 1 1 45 45 GLU N N 45 120.800 120.800 120.008 0.792 25588 3498 1 5 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.294 -0.319 25588 3499 1 5 . 1 1 45 45 GLU C C 45 176.300 176.300 178.556 -2.256 25588 3500 1 5 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.513 -1.053 25588 3501 1 5 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.558 -3.138 25588 3502 1 5 . 1 1 45 45 GLU H H 45 8.789 8.789 8.451 0.338 25588 3503 1 5 . 1 1 46 46 ALA N N 46 120.700 120.700 123.957 -3.257 25588 3504 1 5 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.002 0.087 25588 3505 1 5 . 1 1 46 46 ALA C C 46 177.700 177.700 179.631 -1.931 25588 3506 1 5 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.429 -3.019 25588 3507 1 5 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.934 -2.284 25588 3508 1 5 . 1 1 46 46 ALA H H 46 8.241 8.241 7.441 0.800 25588 3509 1 5 . 1 1 47 47 GLU N N 47 118.900 118.900 117.959 0.941 25588 3510 1 5 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.157 -0.155 25588 3511 1 5 . 1 1 47 47 GLU C C 47 177.500 177.500 179.378 -1.878 25588 3512 1 5 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.736 -2.326 25588 3513 1 5 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.712 -2.651 25588 3514 1 5 . 1 1 47 47 GLU H H 47 7.682 7.682 7.967 -0.285 25588 3515 1 5 . 1 1 48 48 LEU N N 48 120.600 120.600 120.111 0.489 25588 3516 1 5 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.012 0.049 25588 3517 1 5 . 1 1 48 48 LEU C C 48 175.900 175.900 178.739 -2.839 25588 3518 1 5 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.143 -1.873 25588 3519 1 5 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.393 -1.653 25588 3520 1 5 . 1 1 48 48 LEU H H 48 8.169 8.169 7.456 0.713 25588 3521 1 5 . 1 1 49 49 GLN N N 49 118.200 118.200 120.044 -1.844 25588 3522 1 5 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.871 -0.044 25588 3523 1 5 . 1 1 49 49 GLN C C 49 175.900 175.900 177.715 -1.815 25588 3524 1 5 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.242 -3.272 25588 3525 1 5 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.769 -2.249 25588 3526 1 5 . 1 1 49 49 GLN H H 49 8.179 8.179 8.501 -0.322 25588 3527 1 5 . 1 1 50 50 ASP N N 50 119.900 119.900 119.191 0.709 25588 3528 1 5 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.461 -0.078 25588 3529 1 5 . 1 1 50 50 ASP C C 50 175.900 175.900 178.210 -2.310 25588 3530 1 5 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.602 -1.652 25588 3531 1 5 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.653 -2.863 25588 3532 1 5 . 1 1 50 50 ASP H H 50 8.037 8.037 7.708 0.329 25588 3533 1 5 . 1 1 51 51 MET N N 51 119.300 119.300 120.747 -1.447 25588 3534 1 5 . 1 1 51 51 MET HA H 51 4.028 4.028 4.099 -0.071 25588 3535 1 5 . 1 1 51 51 MET C C 51 176.200 176.200 178.298 -2.098 25588 3536 1 5 . 1 1 51 51 MET CA C 51 56.710 56.710 59.266 -2.556 25588 3537 1 5 . 1 1 51 51 MET CB C 51 30.570 30.570 32.736 -2.166 25588 3538 1 5 . 1 1 51 51 MET H H 51 7.855 7.855 7.280 0.575 25588 3539 1 5 . 1 1 52 52 ILE N N 52 118.200 118.200 119.437 -1.237 25588 3540 1 5 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.549 -0.060 25588 3541 1 5 . 1 1 52 52 ILE C C 52 175.100 175.100 177.982 -2.882 25588 3542 1 5 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.666 -3.446 25588 3543 1 5 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.712 1.619 25588 3544 1 5 . 1 1 52 52 ILE H H 52 7.701 7.701 8.932 -1.231 25588 3545 1 5 . 1 1 53 53 ASN N N 53 117.700 117.700 117.692 0.008 25588 3546 1 5 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.424 -0.063 25588 3547 1 5 . 1 1 53 53 ASN C C 53 174.800 174.800 177.696 -2.896 25588 3548 1 5 . 1 1 53 53 ASN CA C 53 53.290 53.290 55.977 -2.687 25588 3549 1 5 . 1 1 53 53 ASN CB C 53 35.440 35.440 37.834 -2.394 25588 3550 1 5 . 1 1 53 53 ASN H H 53 8.529 8.529 7.911 0.618 25588 3551 1 5 . 1 1 54 54 GLU N N 54 116.400 116.400 120.574 -4.174 25588 3552 1 5 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.081 -0.060 25588 3553 1 5 . 1 1 54 54 GLU C C 54 175.000 175.000 179.117 -4.117 25588 3554 1 5 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.371 -3.131 25588 3555 1 5 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.760 -1.930 25588 3556 1 5 . 1 1 54 54 GLU H H 54 7.573 7.573 8.050 -0.477 25588 3557 1 5 . 1 1 55 55 VAL N N 55 108.400 108.400 118.961 -10.561 25588 3558 1 5 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.846 0.600 25588 3559 1 5 . 1 1 55 55 VAL C C 55 173.100 173.100 177.566 -4.466 25588 3560 1 5 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.337 -7.247 25588 3561 1 5 . 1 1 55 55 VAL H H 55 7.204 7.204 7.840 -0.636 25588 3562 1 5 . 1 1 56 56 ASP N N 56 126.900 126.900 119.496 7.404 25588 3563 1 5 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.667 -0.029 25588 3564 1 5 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.706 -3.656 25588 3565 1 5 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.968 -3.488 25588 3566 1 5 . 1 1 56 56 ASP H H 56 7.649 7.649 8.111 -0.462 25588 3567 1 5 . 1 1 57 57 ALA N N 57 131.900 131.900 121.289 10.611 25588 3568 1 5 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.227 -0.045 25588 3569 1 5 . 1 1 57 57 ALA C C 57 176.000 176.000 177.781 -1.781 25588 3570 1 5 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.286 -1.596 25588 3571 1 5 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.070 -1.170 25588 3572 1 5 . 1 1 57 57 ALA H H 57 8.458 8.458 7.857 0.601 25588 3573 1 5 . 1 1 58 58 ASP N N 58 113.800 113.800 118.493 -4.693 25588 3574 1 5 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.429 0.182 25588 3575 1 5 . 1 1 58 58 ASP C C 58 175.200 175.200 176.956 -1.756 25588 3576 1 5 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.645 -5.605 25588 3577 1 5 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.741 -3.541 25588 3578 1 5 . 1 1 58 58 ASP H H 58 8.125 8.125 7.748 0.377 25588 3579 1 5 . 1 1 59 59 GLY N N 59 108.400 108.400 106.735 1.665 25588 3580 1 5 . 1 1 59 59 GLY C C 59 172.500 172.500 173.452 -0.952 25588 3581 1 5 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.257 -0.597 25588 3582 1 5 . 1 1 59 59 GLY H H 59 7.550 7.550 7.851 -0.301 25588 3583 1 5 . 1 1 60 60 ASN N N 60 120.600 120.600 117.370 3.230 25588 3584 1 5 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.772 -0.285 25588 3585 1 5 . 1 1 60 60 ASN C C 60 174.800 174.800 174.895 -0.095 25588 3586 1 5 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.509 -1.329 25588 3587 1 5 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.513 -1.673 25588 3588 1 5 . 1 1 60 60 ASN H H 60 8.356 8.356 8.014 0.342 25588 3589 1 5 . 1 1 61 61 GLY N N 61 113.300 113.300 107.298 6.002 25588 3590 1 5 . 1 1 61 61 GLY C C 61 171.100 171.100 173.770 -2.670 25588 3591 1 5 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.915 -3.085 25588 3592 1 5 . 1 1 61 61 GLY H H 61 10.610 10.610 8.754 1.856 25588 3593 1 5 . 1 1 62 62 THR N N 62 112.900 112.900 111.970 0.930 25588 3594 1 5 . 1 1 62 62 THR HA H 62 4.756 4.756 5.023 -0.267 25588 3595 1 5 . 1 1 62 62 THR C C 62 170.500 170.500 173.458 -2.958 25588 3596 1 5 . 1 1 62 62 THR CA C 62 57.050 57.050 59.561 -2.511 25588 3597 1 5 . 1 1 62 62 THR CB C 62 69.100 69.100 72.154 -3.054 25588 3598 1 5 . 1 1 62 62 THR H H 62 8.111 8.111 7.755 0.356 25588 3599 1 5 . 1 1 63 63 ILE N N 63 123.900 123.900 123.987 -0.087 25588 3600 1 5 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.384 0.768 25588 3601 1 5 . 1 1 63 63 ILE C C 63 172.900 172.900 174.862 -1.962 25588 3602 1 5 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.371 -3.011 25588 3603 1 5 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.298 -4.439 25588 3604 1 5 . 1 1 63 63 ILE H H 63 8.905 8.905 9.098 -0.193 25588 3605 1 5 . 1 1 64 64 ASP N N 64 128.200 128.200 128.638 -0.438 25588 3606 1 5 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.748 0.594 25588 3607 1 5 . 1 1 64 64 ASP C C 64 173.700 173.700 177.132 -3.432 25588 3608 1 5 . 1 1 64 64 ASP CA C 64 49.470 49.470 53.969 -4.499 25588 3609 1 5 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.424 -1.774 25588 3610 1 5 . 1 1 64 64 ASP H H 64 8.778 8.778 8.752 0.026 25588 3611 1 5 . 1 1 65 65 PHE N N 65 118.700 118.700 119.103 -0.403 25588 3612 1 5 . 1 1 65 65 PHE CA C 65 61.020 61.020 62.124 -1.104 25588 3613 1 5 . 1 1 65 65 PHE H H 65 8.903 8.903 8.562 0.341 25588 3614 1 5 . 1 1 66 66 PRO C C 66 177.400 177.400 177.839 -0.439 25588 3615 1 5 . 1 1 66 66 PRO CA C 66 63.960 63.960 65.983 -2.023 25588 3616 1 5 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.410 -3.350 25588 3617 1 5 . 1 1 67 67 GLU N N 67 117.600 117.600 115.732 1.868 25588 3618 1 5 . 1 1 67 67 GLU C C 67 176.100 176.100 178.781 -2.681 25588 3619 1 5 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.486 -2.416 25588 3620 1 5 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.307 -2.557 25588 3621 1 5 . 1 1 67 67 GLU H H 67 7.894 7.894 8.510 -0.616 25588 3622 1 5 . 1 1 68 68 PHE N N 68 123.500 123.500 122.059 1.441 25588 3623 1 5 . 1 1 68 68 PHE C C 68 174.400 174.400 176.605 -2.205 25588 3624 1 5 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.276 -2.666 25588 3625 1 5 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.770 -1.250 25588 3626 1 5 . 1 1 68 68 PHE H H 68 8.826 8.826 7.708 1.118 25588 3627 1 5 . 1 1 69 69 LEU N N 69 119.000 119.000 117.950 1.050 25588 3628 1 5 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.614 -0.280 25588 3629 1 5 . 1 1 69 69 LEU C C 69 176.600 176.600 178.946 -2.346 25588 3630 1 5 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.001 -2.651 25588 3631 1 5 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.365 -3.185 25588 3632 1 5 . 1 1 69 69 LEU H H 69 8.321 8.321 7.979 0.342 25588 3633 1 5 . 1 1 70 70 THR N N 70 115.500 115.500 115.411 0.089 25588 3634 1 5 . 1 1 70 70 THR HA H 70 4.317 4.317 3.862 0.455 25588 3635 1 5 . 1 1 70 70 THR C C 70 173.400 173.400 176.303 -2.903 25588 3636 1 5 . 1 1 70 70 THR CA C 70 63.720 63.720 66.799 -3.079 25588 3637 1 5 . 1 1 70 70 THR CB C 70 65.630 65.630 68.507 -2.877 25588 3638 1 5 . 1 1 70 70 THR H H 70 7.476 7.476 7.478 -0.002 25588 3639 1 5 . 1 1 71 71 MET N N 71 121.700 121.700 121.380 0.320 25588 3640 1 5 . 1 1 71 71 MET HA H 71 3.758 3.758 3.983 -0.225 25588 3641 1 5 . 1 1 71 71 MET C C 71 175.600 175.600 177.695 -2.095 25588 3642 1 5 . 1 1 71 71 MET CA C 71 56.370 56.370 59.214 -2.844 25588 3643 1 5 . 1 1 71 71 MET CB C 71 30.590 30.590 32.611 -2.021 25588 3644 1 5 . 1 1 71 71 MET H H 71 7.774 7.774 8.406 -0.632 25588 3645 1 5 . 1 1 72 72 MET N N 72 116.900 116.900 117.599 -0.699 25588 3646 1 5 . 1 1 72 72 MET HA H 72 3.993 3.993 3.960 0.033 25588 3647 1 5 . 1 1 72 72 MET C C 72 175.900 175.900 178.504 -2.604 25588 3648 1 5 . 1 1 72 72 MET CA C 72 53.200 53.200 57.499 -4.299 25588 3649 1 5 . 1 1 72 72 MET CB C 72 28.520 28.520 30.958 -2.438 25588 3650 1 5 . 1 1 72 72 MET H H 72 8.082 8.082 8.127 -0.045 25588 3651 1 5 . 1 1 73 73 ALA N N 73 122.300 122.300 122.911 -0.611 25588 3652 1 5 . 1 1 73 73 ALA HA H 73 4.074 4.074 4.074 -0.000 25588 3653 1 5 . 1 1 73 73 ALA C C 73 177.200 177.200 179.623 -2.423 25588 3654 1 5 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.978 -3.008 25588 3655 1 5 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.422 -2.683 25588 3656 1 5 . 1 1 73 73 ALA H H 73 8.149 8.149 8.296 -0.147 25588 3657 1 5 . 1 1 74 74 ARG N N 74 116.600 116.600 117.637 -1.037 25588 3658 1 5 . 1 1 74 74 ARG C C 74 175.200 175.200 178.647 -3.447 25588 3659 1 5 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.786 -3.226 25588 3660 1 5 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.258 -2.607 25588 3661 1 5 . 1 1 74 74 ARG H H 74 7.564 7.564 7.841 -0.277 25588 3662 1 5 . 1 1 75 75 LYS N N 75 118.800 118.800 116.893 1.907 25588 3663 1 5 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.178 0.017 25588 3664 1 5 . 1 1 75 75 LYS C C 75 175.100 175.100 177.344 -2.244 25588 3665 1 5 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.615 -2.885 25588 3666 1 5 . 1 1 75 75 LYS H H 75 7.668 7.668 8.200 -0.532 25588 3667 1 5 . 1 1 76 76 MET N N 76 118.300 118.300 117.961 0.339 25588 3668 1 5 . 1 1 76 76 MET HA H 76 4.331 4.331 4.614 -0.283 25588 3669 1 5 . 1 1 76 76 MET C C 76 173.900 173.900 174.301 -0.401 25588 3670 1 5 . 1 1 76 76 MET CA C 76 54.010 54.010 52.622 1.388 25588 3671 1 5 . 1 1 76 76 MET H H 76 7.861 7.861 8.223 -0.362 25588 3672 1 5 . 1 1 77 77 LYS N N 77 120.200 120.200 123.693 -3.493 25588 3673 1 5 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.314 -0.016 25588 3674 1 5 . 1 1 77 77 LYS C C 77 173.800 173.800 176.738 -2.938 25588 3675 1 5 . 1 1 77 77 LYS CA C 77 54.070 54.070 56.076 -2.006 25588 3676 1 5 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.727 -3.357 25588 3677 1 5 . 1 1 77 77 LYS H H 77 7.797 7.797 8.422 -0.625 25588 3678 1 5 . 1 1 78 78 ASP N N 78 121.400 121.400 121.069 0.331 25588 3679 1 5 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.407 0.266 25588 3680 1 5 . 1 1 78 78 ASP C C 78 173.900 173.900 177.571 -3.671 25588 3681 1 5 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.310 -3.410 25588 3682 1 5 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.297 -2.787 25588 3683 1 5 . 1 1 78 78 ASP H H 78 8.191 8.191 8.586 -0.395 25588 3684 1 5 . 1 1 79 79 THR N N 79 114.600 114.600 110.243 4.357 25588 3685 1 5 . 1 1 79 79 THR HA H 79 4.263 4.263 4.140 0.123 25588 3686 1 5 . 1 1 79 79 THR C C 79 171.900 171.900 175.615 -3.715 25588 3687 1 5 . 1 1 79 79 THR CA C 79 59.510 59.510 64.499 -4.989 25588 3688 1 5 . 1 1 79 79 THR CB C 79 67.090 67.090 68.846 -1.756 25588 3689 1 5 . 1 1 79 79 THR H H 79 8.063 8.063 8.531 -0.468 25588 3690 1 5 . 1 1 80 80 ASP N N 80 123.100 123.100 122.199 0.901 25588 3691 1 5 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.475 0.237 25588 3692 1 5 . 1 1 80 80 ASP C C 80 173.900 173.900 178.090 -4.190 25588 3693 1 5 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.907 -5.007 25588 3694 1 5 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.802 -1.132 25588 3695 1 5 . 1 1 80 80 ASP H H 80 8.423 8.423 8.640 -0.217 25588 3696 1 5 . 1 1 81 81 SER N N 81 116.900 116.900 115.879 1.021 25588 3697 1 5 . 1 1 81 81 SER HA H 81 4.498 4.498 4.108 0.390 25588 3698 1 5 . 1 1 81 81 SER C C 81 172.700 172.700 176.065 -3.365 25588 3699 1 5 . 1 1 81 81 SER CA C 81 56.360 56.360 61.262 -4.902 25588 3700 1 5 . 1 1 81 81 SER CB C 81 61.310 61.310 62.690 -1.380 25588 3701 1 5 . 1 1 81 81 SER H H 81 8.357 8.357 7.722 0.635 25588 3702 1 5 . 1 1 82 82 GLU N N 82 122.800 122.800 122.534 0.266 25588 3703 1 5 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.834 0.294 25588 3704 1 5 . 1 1 82 82 GLU C C 82 175.300 175.300 178.786 -3.486 25588 3705 1 5 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.611 -3.341 25588 3706 1 5 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.458 -2.708 25588 3707 1 5 . 1 1 82 82 GLU H H 82 8.532 8.532 7.772 0.760 25588 3708 1 5 . 1 1 83 83 GLU N N 83 119.400 119.400 117.033 2.367 25588 3709 1 5 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.120 -0.086 25588 3710 1 5 . 1 1 83 83 GLU C C 83 176.000 176.000 179.090 -3.090 25588 3711 1 5 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.942 -1.872 25588 3712 1 5 . 1 1 83 83 GLU H H 83 8.365 8.365 7.935 0.430 25588 3713 1 5 . 1 1 84 84 GLU N N 84 118.700 118.700 119.402 -0.702 25588 3714 1 5 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.128 0.019 25588 3715 1 5 . 1 1 84 84 GLU C C 84 177.000 177.000 179.487 -2.487 25588 3716 1 5 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.610 -1.940 25588 3717 1 5 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.604 -2.804 25588 3718 1 5 . 1 1 84 84 GLU H H 84 8.073 8.073 7.466 0.607 25588 3719 1 5 . 1 1 85 85 ILE N N 85 122.200 122.200 119.147 3.053 25588 3720 1 5 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.662 0.332 25588 3721 1 5 . 1 1 85 85 ILE C C 85 175.300 175.300 177.421 -2.121 25588 3722 1 5 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.512 -2.382 25588 3723 1 5 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.293 -2.793 25588 3724 1 5 . 1 1 85 85 ILE H H 85 8.043 8.043 8.873 -0.830 25588 3725 1 5 . 1 1 86 86 ARG N N 86 121.700 121.700 119.861 1.839 25588 3726 1 5 . 1 1 86 86 ARG C C 86 176.700 176.700 178.784 -2.084 25588 3727 1 5 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.384 -2.024 25588 3728 1 5 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.353 -2.303 25588 3729 1 5 . 1 1 86 86 ARG H H 86 8.415 8.415 8.136 0.279 25588 3730 1 5 . 1 1 87 87 GLU N N 87 118.600 118.600 119.431 -0.831 25588 3731 1 5 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.138 -0.029 25588 3732 1 5 . 1 1 87 87 GLU C C 87 175.900 175.900 177.685 -1.785 25588 3733 1 5 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.759 -2.329 25588 3734 1 5 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.366 -2.816 25588 3735 1 5 . 1 1 87 87 GLU H H 87 8.056 8.056 7.920 0.136 25588 3736 1 5 . 1 1 88 88 ALA N N 88 122.000 122.000 120.763 1.237 25588 3737 1 5 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.275 -0.057 25588 3738 1 5 . 1 1 88 88 ALA C C 88 176.600 176.600 178.833 -2.233 25588 3739 1 5 . 1 1 88 88 ALA CA C 88 52.450 52.450 53.773 -1.323 25588 3740 1 5 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.129 -2.829 25588 3741 1 5 . 1 1 88 88 ALA H H 88 7.934 7.934 7.393 0.541 25588 3742 1 5 . 1 1 89 89 PHE N N 89 118.900 118.900 120.807 -1.907 25588 3743 1 5 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.142 -0.991 25588 3744 1 5 . 1 1 89 89 PHE C C 89 173.800 173.800 176.710 -2.910 25588 3745 1 5 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.190 -1.690 25588 3746 1 5 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.938 -2.568 25588 3747 1 5 . 1 1 89 89 PHE H H 89 8.537 8.537 7.782 0.755 25588 3748 1 5 . 1 1 90 90 ARG N N 90 115.600 115.600 118.441 -2.841 25588 3749 1 5 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.748 0.116 25588 3750 1 5 . 1 1 90 90 ARG C C 90 175.500 175.500 177.981 -2.481 25588 3751 1 5 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.197 -3.087 25588 3752 1 5 . 1 1 90 90 ARG CB C 90 27.650 27.650 29.974 -2.324 25588 3753 1 5 . 1 1 90 90 ARG H H 90 7.656 7.656 8.181 -0.525 25588 3754 1 5 . 1 1 91 91 VAL N N 91 118.300 118.300 118.057 0.243 25588 3755 1 5 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.689 -0.202 25588 3756 1 5 . 1 1 91 91 VAL C C 91 174.700 174.700 177.767 -3.067 25588 3757 1 5 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.638 -2.628 25588 3758 1 5 . 1 1 91 91 VAL H H 91 7.496 7.496 7.482 0.014 25588 3759 1 5 . 1 1 92 92 PHE N N 92 116.300 116.300 118.467 -2.167 25588 3760 1 5 . 1 1 92 92 PHE C C 92 174.300 174.300 176.003 -1.703 25588 3761 1 5 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.343 -2.933 25588 3762 1 5 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.837 -2.217 25588 3763 1 5 . 1 1 92 92 PHE H H 92 7.460 7.460 8.239 -0.779 25588 3764 1 5 . 1 1 93 93 ASP N N 93 116.900 116.900 117.111 -0.211 25588 3765 1 5 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.727 -0.223 25588 3766 1 5 . 1 1 93 93 ASP C C 93 174.900 174.900 175.660 -0.760 25588 3767 1 5 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.501 -2.961 25588 3768 1 5 . 1 1 93 93 ASP H H 93 7.821 7.821 8.051 -0.230 25588 3769 1 5 . 1 1 94 94 LYS N N 94 125.900 125.900 124.908 0.992 25588 3770 1 5 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.089 -0.201 25588 3771 1 5 . 1 1 94 94 LYS C C 94 175.700 175.700 177.735 -2.035 25588 3772 1 5 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.572 -2.162 25588 3773 1 5 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.542 -2.372 25588 3774 1 5 . 1 1 94 94 LYS H H 94 7.689 7.689 8.526 -0.837 25588 3775 1 5 . 1 1 95 95 ASP N N 95 114.000 114.000 116.941 -2.941 25588 3776 1 5 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.375 0.179 25588 3777 1 5 . 1 1 95 95 ASP C C 95 175.100 175.100 178.241 -3.141 25588 3778 1 5 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.819 -5.499 25588 3779 1 5 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.490 -3.500 25588 3780 1 5 . 1 1 95 95 ASP H H 95 8.179 8.179 7.910 0.269 25588 3781 1 5 . 1 1 96 96 GLY N N 96 109.300 109.300 109.772 -0.472 25588 3782 1 5 . 1 1 96 96 GLY C C 96 172.500 172.500 175.314 -2.814 25588 3783 1 5 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.777 -2.277 25588 3784 1 5 . 1 1 96 96 GLY H H 96 7.765 7.765 8.813 -1.048 25588 3785 1 5 . 1 1 97 97 ASN N N 97 119.600 119.600 122.382 -2.782 25588 3786 1 5 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.581 0.063 25588 3787 1 5 . 1 1 97 97 ASN C C 97 173.400 173.400 175.155 -1.755 25588 3788 1 5 . 1 1 97 97 ASN CA C 97 50.070 50.070 53.886 -3.816 25588 3789 1 5 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.972 -3.452 25588 3790 1 5 . 1 1 97 97 ASN H H 97 8.302 8.302 8.523 -0.221 25588 3791 1 5 . 1 1 98 98 GLY N N 98 113.000 113.000 105.640 7.360 25588 3792 1 5 . 1 1 98 98 GLY C C 98 169.800 169.800 172.309 -2.509 25588 3793 1 5 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.969 -1.459 25588 3794 1 5 . 1 1 98 98 GLY H H 98 10.620 10.620 7.470 3.150 25588 3795 1 5 . 1 1 99 99 TYR N N 99 115.900 115.900 118.304 -2.404 25588 3796 1 5 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.708 0.328 25588 3797 1 5 . 1 1 99 99 TYR C C 99 171.900 171.900 175.998 -4.098 25588 3798 1 5 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.918 -3.528 25588 3799 1 5 . 1 1 99 99 TYR CB C 99 40.530 40.530 40.992 -0.462 25588 3800 1 5 . 1 1 99 99 TYR H H 99 7.597 7.597 7.995 -0.398 25588 3801 1 5 . 1 1 100 100 ILE N N 100 127.400 127.400 124.521 2.879 25588 3802 1 5 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.347 0.432 25588 3803 1 5 . 1 1 100 100 ILE C C 100 172.900 172.900 176.595 -3.695 25588 3804 1 5 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.857 -4.197 25588 3805 1 5 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.785 -2.835 25588 3806 1 5 . 1 1 100 100 ILE H H 100 10.120 10.120 8.348 1.772 25588 3807 1 5 . 1 1 101 101 SER N N 101 123.800 123.800 122.824 0.976 25588 3808 1 5 . 1 1 101 101 SER C C 101 172.600 172.600 175.755 -3.155 25588 3809 1 5 . 1 1 101 101 SER CA C 101 53.180 53.180 56.811 -3.631 25588 3810 1 5 . 1 1 101 101 SER CB C 101 63.970 63.970 65.417 -1.447 25588 3811 1 5 . 1 1 101 101 SER H H 101 8.944 8.944 8.190 0.754 25588 3812 1 5 . 1 1 102 102 ALA N N 102 122.900 122.900 124.276 -1.376 25588 3813 1 5 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.039 -0.125 25588 3814 1 5 . 1 1 102 102 ALA C C 102 176.700 176.700 179.207 -2.507 25588 3815 1 5 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.460 -2.160 25588 3816 1 5 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.173 -2.723 25588 3817 1 5 . 1 1 102 102 ALA H H 102 9.178 9.178 9.046 0.132 25588 3818 1 5 . 1 1 103 103 ALA N N 103 118.400 118.400 120.982 -2.582 25588 3819 1 5 . 1 1 103 103 ALA C C 103 178.700 178.700 179.711 -1.011 25588 3820 1 5 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.812 -2.262 25588 3821 1 5 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.249 -2.369 25588 3822 1 5 . 1 1 103 103 ALA H H 103 8.205 8.205 8.192 0.013 25588 3823 1 5 . 1 1 104 104 GLU N N 104 119.700 119.700 118.839 0.861 25588 3824 1 5 . 1 1 104 104 GLU C C 104 176.600 176.600 178.949 -2.349 25588 3825 1 5 . 1 1 104 104 GLU CA C 104 56.640 56.640 59.069 -2.429 25588 3826 1 5 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.658 -3.018 25588 3827 1 5 . 1 1 104 104 GLU H H 104 7.835 7.835 7.831 0.004 25588 3828 1 5 . 1 1 105 105 LEU N N 105 121.000 121.000 121.075 -0.075 25588 3829 1 5 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.061 0.038 25588 3830 1 5 . 1 1 105 105 LEU C C 105 175.800 175.800 178.093 -2.293 25588 3831 1 5 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.914 -2.254 25588 3832 1 5 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.933 -7.373 25588 3833 1 5 . 1 1 105 105 LEU H H 105 8.571 8.571 8.192 0.379 25588 3834 1 5 . 1 1 106 106 ARG N N 106 117.500 117.500 118.353 -0.853 25588 3835 1 5 . 1 1 106 106 ARG C C 106 176.000 176.000 177.788 -1.788 25588 3836 1 5 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.261 -3.031 25588 3837 1 5 . 1 1 106 106 ARG H H 106 8.522 8.522 7.814 0.708 25588 3838 1 5 . 1 1 107 107 HIS N N 107 119.000 119.000 117.148 1.852 25588 3839 1 5 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.337 -0.051 25588 3840 1 5 . 1 1 107 107 HIS C C 107 174.900 174.900 177.429 -2.529 25588 3841 1 5 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.889 -2.799 25588 3842 1 5 . 1 1 107 107 HIS H H 107 7.889 7.889 7.744 0.145 25588 3843 1 5 . 1 1 108 108 VAL N N 108 118.900 118.900 119.763 -0.863 25588 3844 1 5 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.677 -0.192 25588 3845 1 5 . 1 1 108 108 VAL C C 108 175.400 175.400 178.140 -2.740 25588 3846 1 5 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.243 -2.723 25588 3847 1 5 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.530 -2.330 25588 3848 1 5 . 1 1 108 108 VAL H H 108 7.958 7.958 7.429 0.529 25588 3849 1 5 . 1 1 109 109 MET N N 109 116.400 116.400 117.652 -1.252 25588 3850 1 5 . 1 1 109 109 MET HA H 109 4.331 4.331 4.210 0.121 25588 3851 1 5 . 1 1 109 109 MET C C 109 176.000 176.000 178.810 -2.810 25588 3852 1 5 . 1 1 109 109 MET CA C 109 54.910 54.910 57.790 -2.880 25588 3853 1 5 . 1 1 109 109 MET CB C 109 28.750 28.750 31.210 -2.460 25588 3854 1 5 . 1 1 109 109 MET H H 109 8.247 8.247 8.268 -0.021 25588 3855 1 5 . 1 1 110 110 THR N N 110 114.900 114.900 115.656 -0.756 25588 3856 1 5 . 1 1 110 110 THR HA H 110 4.152 4.152 4.012 0.140 25588 3857 1 5 . 1 1 110 110 THR C C 110 175.000 175.000 175.875 -0.875 25588 3858 1 5 . 1 1 110 110 THR CA C 110 63.270 63.270 65.855 -2.585 25588 3859 1 5 . 1 1 110 110 THR CB C 110 66.230 66.230 68.489 -2.259 25588 3860 1 5 . 1 1 110 110 THR H H 110 8.125 8.125 8.169 -0.044 25588 3861 1 5 . 1 1 111 111 ASN N N 111 122.200 122.200 118.550 3.650 25588 3862 1 5 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.404 0.033 25588 3863 1 5 . 1 1 111 111 ASN C C 111 173.700 173.700 177.521 -3.821 25588 3864 1 5 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.537 -2.467 25588 3865 1 5 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.558 -2.738 25588 3866 1 5 . 1 1 111 111 ASN H H 111 7.867 7.867 7.494 0.373 25588 3867 1 5 . 1 1 112 112 LEU N N 112 119.100 119.100 118.873 0.227 25588 3868 1 5 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.089 0.244 25588 3869 1 5 . 1 1 112 112 LEU C C 112 174.700 174.700 176.988 -2.288 25588 3870 1 5 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.502 -3.742 25588 3871 1 5 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.521 -3.071 25588 3872 1 5 . 1 1 112 112 LEU H H 112 7.850 7.850 7.319 0.531 25588 3873 1 5 . 1 1 113 113 GLY N N 113 106.800 106.800 104.537 2.263 25588 3874 1 5 . 1 1 113 113 GLY C C 113 171.700 171.700 172.339 -0.639 25588 3875 1 5 . 1 1 113 113 GLY CA C 113 42.790 42.790 44.980 -2.191 25588 3876 1 5 . 1 1 113 113 GLY H H 113 7.830 7.830 7.537 0.293 25588 3877 1 5 . 1 1 114 114 GLU N N 114 120.600 120.600 120.088 0.512 25588 3878 1 5 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.668 -0.268 25588 3879 1 5 . 1 1 114 114 GLU C C 114 172.800 172.800 177.021 -4.221 25588 3880 1 5 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.133 -3.463 25588 3881 1 5 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.423 -2.463 25588 3882 1 5 . 1 1 114 114 GLU H H 114 7.914 7.914 8.655 -0.741 25588 3883 1 5 . 1 1 115 115 LYS N N 115 124.000 124.000 120.117 3.883 25588 3884 1 5 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.105 0.252 25588 3885 1 5 . 1 1 115 115 LYS C C 115 173.000 173.000 176.097 -3.097 25588 3886 1 5 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.505 -5.486 25588 3887 1 5 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.893 -3.483 25588 3888 1 5 . 1 1 115 115 LYS H H 115 8.505 8.505 8.499 0.006 25588 3889 1 5 . 1 1 116 116 LEU N N 116 125.000 125.000 116.504 8.496 25588 3890 1 5 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.609 0.150 25588 3891 1 5 . 1 1 116 116 LEU C C 116 175.300 175.300 176.664 -1.364 25588 3892 1 5 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.605 -1.185 25588 3893 1 5 . 1 1 116 116 LEU CB C 116 42.110 42.110 44.161 -2.051 25588 3894 1 5 . 1 1 116 116 LEU H H 116 8.076 8.076 7.600 0.476 25588 3895 1 5 . 1 1 117 117 THR N N 117 114.500 114.500 111.228 3.272 25588 3896 1 5 . 1 1 117 117 THR HA H 117 4.453 4.453 4.223 0.230 25588 3897 1 5 . 1 1 117 117 THR C C 117 172.800 172.800 174.466 -1.666 25588 3898 1 5 . 1 1 117 117 THR CA C 117 57.970 57.970 62.147 -4.176 25588 3899 1 5 . 1 1 117 117 THR CB C 117 68.610 68.610 69.836 -1.226 25588 3900 1 5 . 1 1 117 117 THR H H 117 9.116 9.116 8.275 0.841 25588 3901 1 5 . 1 1 118 118 ASP N N 118 121.000 121.000 119.748 1.252 25588 3902 1 5 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.640 -0.444 25588 3903 1 5 . 1 1 118 118 ASP C C 118 175.900 175.900 177.313 -1.413 25588 3904 1 5 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.153 -0.793 25588 3905 1 5 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.959 -3.849 25588 3906 1 5 . 1 1 118 118 ASP H H 118 8.847 8.847 8.682 0.165 25588 3907 1 5 . 1 1 119 119 GLU N N 119 119.100 119.100 119.182 -0.082 25588 3908 1 5 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.482 -0.412 25588 3909 1 5 . 1 1 119 119 GLU C C 119 176.500 176.500 177.436 -0.936 25588 3910 1 5 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.515 -1.235 25588 3911 1 5 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.695 -3.265 25588 3912 1 5 . 1 1 119 119 GLU H H 119 8.626 8.626 8.322 0.304 25588 3913 1 5 . 1 1 120 120 GLU N N 120 120.500 120.500 118.522 1.978 25588 3914 1 5 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.070 -0.080 25588 3915 1 5 . 1 1 120 120 GLU C C 120 177.400 177.400 178.666 -1.266 25588 3916 1 5 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.315 -2.725 25588 3917 1 5 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.102 -0.312 25588 3918 1 5 . 1 1 120 120 GLU H H 120 7.724 7.724 8.833 -1.109 25588 3919 1 5 . 1 1 121 121 VAL N N 121 121.100 121.100 114.282 6.818 25588 3920 1 5 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.832 -0.245 25588 3921 1 5 . 1 1 121 121 VAL C C 121 174.600 174.600 177.680 -3.080 25588 3922 1 5 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.009 -0.699 25588 3923 1 5 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.193 -2.813 25588 3924 1 5 . 1 1 121 121 VAL H H 121 8.062 8.062 8.090 -0.028 25588 3925 1 5 . 1 1 122 122 ASP N N 122 119.600 119.600 121.211 -1.611 25588 3926 1 5 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.365 -0.056 25588 3927 1 5 . 1 1 122 122 ASP C C 122 176.500 176.500 177.768 -1.268 25588 3928 1 5 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.146 -2.146 25588 3929 1 5 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.140 -2.240 25588 3930 1 5 . 1 1 122 122 ASP H H 122 8.007 8.007 7.692 0.315 25588 3931 1 5 . 1 1 123 123 GLU N N 123 119.300 119.300 116.970 2.330 25588 3932 1 5 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.330 -0.332 25588 3933 1 5 . 1 1 123 123 GLU C C 123 175.400 175.400 178.111 -2.711 25588 3934 1 5 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.458 -0.798 25588 3935 1 5 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.691 -3.901 25588 3936 1 5 . 1 1 123 123 GLU H H 123 7.967 7.967 8.121 -0.154 25588 3937 1 5 . 1 1 124 124 MET N N 124 119.600 119.600 120.971 -1.371 25588 3938 1 5 . 1 1 124 124 MET HA H 124 4.033 4.033 4.265 -0.232 25588 3939 1 5 . 1 1 124 124 MET C C 124 176.500 176.500 178.262 -1.762 25588 3940 1 5 . 1 1 124 124 MET CA C 124 56.970 56.970 58.016 -1.046 25588 3941 1 5 . 1 1 124 124 MET CB C 124 30.470 30.470 32.541 -2.071 25588 3942 1 5 . 1 1 124 124 MET H H 124 7.789 7.789 8.174 -0.385 25588 3943 1 5 . 1 1 125 125 ILE N N 125 118.500 118.500 116.246 2.254 25588 3944 1 5 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.777 -0.278 25588 3945 1 5 . 1 1 125 125 ILE C C 125 174.600 174.600 177.013 -2.413 25588 3946 1 5 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.253 -2.063 25588 3947 1 5 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.506 -3.996 25588 3948 1 5 . 1 1 125 125 ILE H H 125 7.940 7.940 7.663 0.277 25588 3949 1 5 . 1 1 126 126 ARG N N 126 118.300 118.300 119.239 -0.939 25588 3950 1 5 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.124 -0.116 25588 3951 1 5 . 1 1 126 126 ARG C C 126 176.800 176.800 178.473 -1.673 25588 3952 1 5 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.024 -1.924 25588 3953 1 5 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.655 -3.086 25588 3954 1 5 . 1 1 126 126 ARG H H 126 8.168 8.168 7.715 0.453 25588 3955 1 5 . 1 1 127 127 GLU N N 127 116.300 116.300 119.237 -2.937 25588 3956 1 5 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.109 -0.126 25588 3957 1 5 . 1 1 127 127 GLU C C 127 174.700 174.700 177.580 -2.880 25588 3958 1 5 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.654 -2.774 25588 3959 1 5 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.410 -2.470 25588 3960 1 5 . 1 1 127 127 GLU H H 127 7.918 7.918 8.155 -0.237 25588 3961 1 5 . 1 1 128 128 ALA N N 128 119.100 119.100 120.296 -1.196 25588 3962 1 5 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.013 0.405 25588 3963 1 5 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.985 -4.475 25588 3964 1 5 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.814 -0.074 25588 3965 1 5 . 1 1 128 128 ALA H H 128 7.354 7.354 7.863 -0.509 25588 3966 1 5 . 1 1 129 129 ASP N N 129 117.400 117.400 118.312 -0.912 25588 3967 1 5 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.691 -0.189 25588 3968 1 5 . 1 1 129 129 ASP C C 129 173.400 173.400 176.676 -3.276 25588 3969 1 5 . 1 1 129 129 ASP CA C 129 51.410 51.410 52.883 -1.473 25588 3970 1 5 . 1 1 129 129 ASP CB C 129 37.700 37.700 41.698 -3.998 25588 3971 1 5 . 1 1 129 129 ASP H H 129 7.871 7.871 7.509 0.362 25588 3972 1 5 . 1 1 130 130 ILE N N 130 128.000 128.000 120.584 7.416 25588 3973 1 5 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.024 -0.107 25588 3974 1 5 . 1 1 130 130 ILE C C 130 175.300 175.300 176.372 -1.072 25588 3975 1 5 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.917 -1.208 25588 3976 1 5 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.322 -1.512 25588 3977 1 5 . 1 1 130 130 ILE H H 130 8.384 8.384 8.489 -0.105 25588 3978 1 5 . 1 1 131 131 ASP N N 131 116.800 116.800 121.801 -5.001 25588 3979 1 5 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.460 0.090 25588 3980 1 5 . 1 1 131 131 ASP C C 131 175.600 175.600 177.759 -2.159 25588 3981 1 5 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.696 -5.476 25588 3982 1 5 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.088 -3.858 25588 3983 1 5 . 1 1 131 131 ASP H H 131 8.281 8.281 9.016 -0.735 25588 3984 1 5 . 1 1 132 132 GLY N N 132 108.500 108.500 107.669 0.831 25588 3985 1 5 . 1 1 132 132 GLY C C 132 172.600 172.600 174.722 -2.122 25588 3986 1 5 . 1 1 132 132 GLY CA C 132 44.850 44.850 45.989 -1.139 25588 3987 1 5 . 1 1 132 132 GLY H H 132 7.575 7.575 8.105 -0.530 25588 3988 1 5 . 1 1 133 133 ASP N N 133 120.800 120.800 117.422 3.378 25588 3989 1 5 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.571 -0.107 25588 3990 1 5 . 1 1 133 133 ASP C C 133 174.900 174.900 176.800 -1.900 25588 3991 1 5 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.537 -2.547 25588 3992 1 5 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.491 -2.901 25588 3993 1 5 . 1 1 133 133 ASP H H 133 8.326 8.326 8.129 0.197 25588 3994 1 5 . 1 1 134 134 GLY N N 134 112.900 112.900 107.938 4.962 25588 3995 1 5 . 1 1 134 134 GLY C C 134 170.200 170.200 172.964 -2.764 25588 3996 1 5 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.268 -2.218 25588 3997 1 5 . 1 1 134 134 GLY H H 134 10.310 10.310 8.355 1.955 25588 3998 1 5 . 1 1 135 135 GLN N N 135 115.400 115.400 120.716 -5.316 25588 3999 1 5 . 1 1 135 135 GLN HA H 135 4.860 4.860 5.293 -0.433 25588 4000 1 5 . 1 1 135 135 GLN C C 135 172.100 172.100 173.806 -1.706 25588 4001 1 5 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.369 -3.839 25588 4002 1 5 . 1 1 135 135 GLN CB C 135 30.020 30.020 33.053 -3.034 25588 4003 1 5 . 1 1 135 135 GLN H H 135 7.937 7.937 8.329 -0.392 25588 4004 1 5 . 1 1 136 136 VAL N N 136 125.500 125.500 122.137 3.363 25588 4005 1 5 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.646 0.544 25588 4006 1 5 . 1 1 136 136 VAL C C 136 173.200 173.200 174.652 -1.452 25588 4007 1 5 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.713 -1.613 25588 4008 1 5 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.757 -3.837 25588 4009 1 5 . 1 1 136 136 VAL H H 136 9.112 9.112 8.547 0.565 25588 4010 1 5 . 1 1 137 137 ASN N N 137 129.000 129.000 122.913 6.087 25588 4011 1 5 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.297 -0.065 25588 4012 1 5 . 1 1 137 137 ASN C C 137 172.200 172.200 175.168 -2.968 25588 4013 1 5 . 1 1 137 137 ASN CA C 137 48.460 48.460 52.064 -3.604 25588 4014 1 5 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.953 -6.263 25588 4015 1 5 . 1 1 137 137 ASN H H 137 9.509 9.509 8.475 1.034 25588 4016 1 5 . 1 1 138 138 TYR N N 138 118.400 118.400 123.698 -5.298 25588 4017 1 5 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.242 -0.818 25588 4018 1 5 . 1 1 138 138 TYR C C 138 173.500 173.500 177.013 -3.513 25588 4019 1 5 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.364 -2.334 25588 4020 1 5 . 1 1 138 138 TYR H H 138 8.420 8.420 9.314 -0.894 25588 4021 1 5 . 1 1 139 139 GLU N N 139 118.400 118.400 116.850 1.550 25588 4022 1 5 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.748 -0.107 25588 4023 1 5 . 1 1 139 139 GLU C C 139 177.900 177.900 178.825 -0.925 25588 4024 1 5 . 1 1 139 139 GLU CA C 139 57.740 57.740 59.890 -2.150 25588 4025 1 5 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.783 -2.393 25588 4026 1 5 . 1 1 139 139 GLU H H 139 8.066 8.066 8.823 -0.757 25588 4027 1 5 . 1 1 140 140 GLU N N 140 119.900 119.900 120.110 -0.210 25588 4028 1 5 . 1 1 140 140 GLU C C 140 176.700 176.700 178.691 -1.991 25588 4029 1 5 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.574 -2.674 25588 4030 1 5 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.412 -2.212 25588 4031 1 5 . 1 1 140 140 GLU H H 140 8.728 8.728 8.166 0.562 25588 4032 1 5 . 1 1 141 141 PHE N N 141 124.600 124.600 120.291 4.309 25588 4033 1 5 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.104 -0.120 25588 4034 1 5 . 1 1 141 141 PHE C C 141 174.200 174.200 177.573 -3.373 25588 4035 1 5 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.359 -3.399 25588 4036 1 5 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.666 -1.396 25588 4037 1 5 . 1 1 141 141 PHE H H 141 8.920 8.920 8.017 0.903 25588 4038 1 5 . 1 1 142 142 VAL N N 142 119.300 119.300 117.858 1.442 25588 4039 1 5 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.502 -0.381 25588 4040 1 5 . 1 1 142 142 VAL C C 142 176.900 176.900 177.140 -0.240 25588 4041 1 5 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.257 -1.827 25588 4042 1 5 . 1 1 142 142 VAL H H 142 8.536 8.536 7.161 1.375 25588 4043 1 5 . 1 1 143 143 GLN N N 143 118.200 118.200 117.100 1.100 25588 4044 1 5 . 1 1 143 143 GLN HA H 143 3.851 3.851 3.966 -0.115 25588 4045 1 5 . 1 1 143 143 GLN C C 143 175.300 175.300 178.964 -3.664 25588 4046 1 5 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.793 -1.533 25588 4047 1 5 . 1 1 143 143 GLN H H 143 7.404 7.404 7.267 0.137 25588 4048 1 5 . 1 1 144 144 MET N N 144 119.400 119.400 119.326 0.074 25588 4049 1 5 . 1 1 144 144 MET HA H 144 4.107 4.107 4.109 -0.002 25588 4050 1 5 . 1 1 144 144 MET C C 144 175.400 175.400 176.676 -1.276 25588 4051 1 5 . 1 1 144 144 MET CA C 144 55.500 55.500 58.331 -2.831 25588 4052 1 5 . 1 1 144 144 MET CB C 144 30.460 30.460 33.229 -2.769 25588 4053 1 5 . 1 1 144 144 MET H H 144 7.878 7.878 7.954 -0.076 25588 4054 1 5 . 1 1 145 145 MET N N 145 115.000 115.000 116.758 -1.758 25588 4055 1 5 . 1 1 145 145 MET HA H 145 4.281 4.281 4.567 -0.286 25588 4056 1 5 . 1 1 145 145 MET C C 145 174.900 174.900 174.612 0.288 25588 4057 1 5 . 1 1 145 145 MET CA C 145 52.740 52.740 55.601 -2.861 25588 4058 1 5 . 1 1 145 145 MET H H 145 7.852 7.852 7.512 0.340 25588 4059 1 5 . 1 1 146 146 THR N N 146 111.100 111.100 117.956 -6.856 25588 4060 1 5 . 1 1 146 146 THR HA H 146 4.306 4.306 4.450 -0.144 25588 4061 1 5 . 1 1 146 146 THR C C 146 171.600 171.600 173.498 -1.898 25588 4062 1 5 . 1 1 146 146 THR CA C 146 59.830 59.830 61.984 -2.154 25588 4063 1 5 . 1 1 146 146 THR CB C 146 67.510 67.510 68.933 -1.423 25588 4064 1 5 . 1 1 146 146 THR H H 146 7.571 7.571 8.359 -0.788 25588 4065 1 5 . 1 1 147 147 ALA N N 147 126.300 126.300 127.782 -1.482 25588 4066 1 5 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.062 0.238 25588 4067 1 5 . 1 1 147 147 ALA C C 147 174.000 174.000 176.725 -2.725 25588 4068 1 5 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.025 -3.835 25588 4069 1 5 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.578 -3.099 25588 4070 1 5 . 1 1 147 147 ALA H H 147 7.723 7.723 7.922 -0.199 25588 4071 1 6 . 1 1 2 2 ASP N N 2 118.400 118.400 120.691 -2.291 25588 4072 1 6 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.737 -0.123 25588 4073 1 6 . 1 1 2 2 ASP C C 2 173.000 173.000 176.476 -3.476 25588 4074 1 6 . 1 1 2 2 ASP CA C 2 52.020 52.020 53.942 -1.922 25588 4075 1 6 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.327 -2.507 25588 4076 1 6 . 1 1 2 2 ASP H H 2 8.311 8.311 8.475 -0.164 25588 4077 1 6 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.235 0.119 25588 4078 1 6 . 1 1 3 3 GLN C C 3 173.000 173.000 175.982 -2.982 25588 4079 1 6 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.433 -3.523 25588 4080 1 6 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.565 -2.415 25588 4081 1 6 . 1 1 3 3 GLN H H 3 8.321 8.321 8.615 -0.294 25588 4082 1 6 . 1 1 4 4 LEU N N 4 123.200 123.200 121.493 1.707 25588 4083 1 6 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.866 -0.216 25588 4084 1 6 . 1 1 4 4 LEU C C 4 175.100 175.100 175.961 -0.861 25588 4085 1 6 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.209 -2.419 25588 4086 1 6 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.443 -2.583 25588 4087 1 6 . 1 1 4 4 LEU H H 4 8.268 8.268 7.640 0.628 25588 4088 1 6 . 1 1 5 5 THR N N 5 113.000 113.000 115.961 -2.961 25588 4089 1 6 . 1 1 5 5 THR HA H 5 4.754 4.754 4.663 0.091 25588 4090 1 6 . 1 1 5 5 THR C C 5 172.800 172.800 174.790 -1.990 25588 4091 1 6 . 1 1 5 5 THR CA C 5 57.880 57.880 59.906 -2.026 25588 4092 1 6 . 1 1 5 5 THR CB C 5 68.480 68.480 71.966 -3.486 25588 4093 1 6 . 1 1 5 5 THR H H 5 8.682 8.682 8.451 0.231 25588 4094 1 6 . 1 1 6 6 GLU N N 6 120.500 120.500 122.539 -2.039 25588 4095 1 6 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.013 -0.050 25588 4096 1 6 . 1 1 6 6 GLU C C 6 176.800 176.800 178.312 -1.512 25588 4097 1 6 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.784 -2.354 25588 4098 1 6 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.719 -3.199 25588 4099 1 6 . 1 1 6 6 GLU H H 6 8.990 8.990 8.995 -0.005 25588 4100 1 6 . 1 1 7 7 GLU N N 7 119.600 119.600 118.888 0.712 25588 4101 1 6 . 1 1 7 7 GLU HA H 7 4.069 4.069 3.965 0.104 25588 4102 1 6 . 1 1 7 7 GLU C C 7 176.500 176.500 179.060 -2.560 25588 4103 1 6 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.428 -2.048 25588 4104 1 6 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.274 -2.844 25588 4105 1 6 . 1 1 7 7 GLU H H 7 8.668 8.668 8.585 0.083 25588 4106 1 6 . 1 1 8 8 GLN N N 8 120.100 120.100 117.988 2.112 25588 4107 1 6 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.049 -0.180 25588 4108 1 6 . 1 1 8 8 GLN C C 8 175.700 175.700 178.790 -3.090 25588 4109 1 6 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.823 -2.873 25588 4110 1 6 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.680 -1.870 25588 4111 1 6 . 1 1 8 8 GLN H H 8 7.721 7.721 7.594 0.127 25588 4112 1 6 . 1 1 9 9 ILE N N 9 119.600 119.600 119.055 0.545 25588 4113 1 6 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.948 -0.236 25588 4114 1 6 . 1 1 9 9 ILE C C 9 175.100 175.100 177.840 -2.740 25588 4115 1 6 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.301 -0.771 25588 4116 1 6 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.767 -2.687 25588 4117 1 6 . 1 1 9 9 ILE H H 9 8.373 8.373 7.293 1.080 25588 4118 1 6 . 1 1 10 10 ALA N N 10 121.300 121.300 122.260 -0.960 25588 4119 1 6 . 1 1 10 10 ALA C C 10 178.400 178.400 179.265 -0.865 25588 4120 1 6 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.235 -2.445 25588 4121 1 6 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.915 -2.555 25588 4122 1 6 . 1 1 10 10 ALA H H 10 7.984 7.984 8.268 -0.284 25588 4123 1 6 . 1 1 11 11 GLU N N 11 119.500 119.500 119.228 0.272 25588 4124 1 6 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.858 0.289 25588 4125 1 6 . 1 1 11 11 GLU C C 11 177.900 177.900 179.055 -1.155 25588 4126 1 6 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.166 -2.497 25588 4127 1 6 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.167 -2.667 25588 4128 1 6 . 1 1 11 11 GLU H H 11 7.779 7.779 7.749 0.030 25588 4129 1 6 . 1 1 12 12 PHE N N 12 120.200 120.200 118.150 2.050 25588 4130 1 6 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.309 0.711 25588 4131 1 6 . 1 1 12 12 PHE C C 12 176.100 176.100 177.905 -1.805 25588 4132 1 6 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.099 -4.489 25588 4133 1 6 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.811 -3.531 25588 4134 1 6 . 1 1 12 12 PHE H H 12 8.562 8.562 7.703 0.859 25588 4135 1 6 . 1 1 13 13 LYS N N 13 123.500 123.500 120.059 3.441 25588 4136 1 6 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.072 -0.083 25588 4137 1 6 . 1 1 13 13 LYS C C 13 176.700 176.700 179.118 -2.418 25588 4138 1 6 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.773 -2.253 25588 4139 1 6 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.399 -3.089 25588 4140 1 6 . 1 1 13 13 LYS H H 13 9.161 9.161 7.538 1.623 25588 4141 1 6 . 1 1 14 14 GLU N N 14 120.400 120.400 118.340 2.060 25588 4142 1 6 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.159 -0.034 25588 4143 1 6 . 1 1 14 14 GLU C C 14 176.800 176.800 179.018 -2.218 25588 4144 1 6 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.815 -2.085 25588 4145 1 6 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.412 -2.812 25588 4146 1 6 . 1 1 14 14 GLU H H 14 7.786 7.786 8.406 -0.620 25588 4147 1 6 . 1 1 15 15 ALA N N 15 122.600 122.600 121.796 0.804 25588 4148 1 6 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.945 0.338 25588 4149 1 6 . 1 1 15 15 ALA C C 15 176.400 176.400 179.197 -2.797 25588 4150 1 6 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.830 -2.240 25588 4151 1 6 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.095 -2.555 25588 4152 1 6 . 1 1 15 15 ALA H H 15 7.981 7.981 8.020 -0.039 25588 4153 1 6 . 1 1 16 16 PHE N N 16 119.400 119.400 118.090 1.310 25588 4154 1 6 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.496 -1.290 25588 4155 1 6 . 1 1 16 16 PHE C C 16 174.600 174.600 177.362 -2.762 25588 4156 1 6 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.877 -2.517 25588 4157 1 6 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.331 -2.291 25588 4158 1 6 . 1 1 16 16 PHE H H 16 8.796 8.796 7.703 1.093 25588 4159 1 6 . 1 1 17 17 SER N N 17 112.600 112.600 114.538 -1.938 25588 4160 1 6 . 1 1 17 17 SER HA H 17 4.028 4.028 4.369 -0.341 25588 4161 1 6 . 1 1 17 17 SER C C 17 172.400 172.400 175.910 -3.510 25588 4162 1 6 . 1 1 17 17 SER CA C 17 58.820 58.820 61.291 -2.471 25588 4163 1 6 . 1 1 17 17 SER CB C 17 60.680 60.680 63.351 -2.671 25588 4164 1 6 . 1 1 17 17 SER H H 17 7.898 7.898 7.923 -0.025 25588 4165 1 6 . 1 1 18 18 LEU N N 18 121.000 121.000 123.826 -2.826 25588 4166 1 6 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.915 0.080 25588 4167 1 6 . 1 1 18 18 LEU C C 18 175.300 175.300 177.649 -2.349 25588 4168 1 6 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.753 -3.263 25588 4169 1 6 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.406 -2.536 25588 4170 1 6 . 1 1 18 18 LEU H H 18 7.426 7.426 7.353 0.073 25588 4171 1 6 . 1 1 19 19 PHE N N 19 115.200 115.200 115.557 -0.357 25588 4172 1 6 . 1 1 19 19 PHE C C 19 174.100 174.100 178.143 -4.043 25588 4173 1 6 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.541 -4.901 25588 4174 1 6 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.297 -0.047 25588 4175 1 6 . 1 1 19 19 PHE H H 19 7.309 7.309 7.444 -0.135 25588 4176 1 6 . 1 1 20 20 ASP N N 20 117.700 117.700 118.630 -0.930 25588 4177 1 6 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.550 -0.010 25588 4178 1 6 . 1 1 20 20 ASP C C 20 174.500 174.500 178.205 -3.705 25588 4179 1 6 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.689 -4.969 25588 4180 1 6 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.882 -4.682 25588 4181 1 6 . 1 1 20 20 ASP H H 20 7.814 7.814 7.781 0.033 25588 4182 1 6 . 1 1 21 21 LYS N N 21 124.400 124.400 119.209 5.191 25588 4183 1 6 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.917 0.037 25588 4184 1 6 . 1 1 21 21 LYS C C 21 175.500 175.500 177.667 -2.167 25588 4185 1 6 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.033 -3.143 25588 4186 1 6 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.269 -2.209 25588 4187 1 6 . 1 1 21 21 LYS H H 21 7.652 7.652 7.764 -0.112 25588 4188 1 6 . 1 1 22 22 ASP N N 22 113.900 113.900 117.032 -3.132 25588 4189 1 6 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.386 0.199 25588 4190 1 6 . 1 1 22 22 ASP C C 22 175.000 175.000 177.090 -2.090 25588 4191 1 6 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.713 -5.583 25588 4192 1 6 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.963 -4.053 25588 4193 1 6 . 1 1 22 22 ASP H H 22 8.056 8.056 7.730 0.326 25588 4194 1 6 . 1 1 23 23 GLY N N 23 109.200 109.200 108.920 0.280 25588 4195 1 6 . 1 1 23 23 GLY C C 23 172.300 172.300 173.722 -1.422 25588 4196 1 6 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.496 0.094 25588 4197 1 6 . 1 1 23 23 GLY H H 23 7.660 7.660 7.662 -0.002 25588 4198 1 6 . 1 1 24 24 ASP N N 24 118.600 118.600 118.033 0.567 25588 4199 1 6 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.551 0.066 25588 4200 1 6 . 1 1 24 24 ASP C C 24 174.200 174.200 175.732 -1.532 25588 4201 1 6 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.311 -5.341 25588 4202 1 6 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.008 -5.918 25588 4203 1 6 . 1 1 24 24 ASP H H 24 8.052 8.052 8.416 -0.364 25588 4204 1 6 . 1 1 25 25 GLY N N 25 113.400 113.400 107.675 5.725 25588 4205 1 6 . 1 1 25 25 GLY C C 25 170.600 170.600 173.126 -2.526 25588 4206 1 6 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.908 -1.748 25588 4207 1 6 . 1 1 25 25 GLY H H 25 10.570 10.570 7.940 2.630 25588 4208 1 6 . 1 1 26 26 THR N N 26 109.100 109.100 117.449 -8.349 25588 4209 1 6 . 1 1 26 26 THR HA H 26 5.271 5.271 4.421 0.850 25588 4210 1 6 . 1 1 26 26 THR C C 26 170.200 170.200 172.672 -2.472 25588 4211 1 6 . 1 1 26 26 THR CA C 26 57.170 57.170 62.071 -4.901 25588 4212 1 6 . 1 1 26 26 THR CB C 26 69.920 69.920 72.434 -2.514 25588 4213 1 6 . 1 1 26 26 THR H H 26 7.661 7.661 8.124 -0.463 25588 4214 1 6 . 1 1 27 27 ILE N N 27 127.100 127.100 127.059 0.041 25588 4215 1 6 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.620 0.351 25588 4216 1 6 . 1 1 27 27 ILE C C 27 173.400 173.400 174.850 -1.450 25588 4217 1 6 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.983 -2.163 25588 4218 1 6 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.243 -2.523 25588 4219 1 6 . 1 1 27 27 ILE H H 27 9.766 9.766 8.163 1.603 25588 4220 1 6 . 1 1 28 28 THR N N 28 116.500 116.500 117.525 -1.025 25588 4221 1 6 . 1 1 28 28 THR HA H 28 4.802 4.802 4.990 -0.188 25588 4222 1 6 . 1 1 28 28 THR C C 28 173.900 173.900 176.044 -2.144 25588 4223 1 6 . 1 1 28 28 THR CA C 28 56.980 56.980 59.462 -2.482 25588 4224 1 6 . 1 1 28 28 THR CB C 28 69.730 69.730 72.062 -2.332 25588 4225 1 6 . 1 1 28 28 THR H H 28 8.458 8.458 8.373 0.085 25588 4226 1 6 . 1 1 29 29 THR N N 29 112.900 112.900 112.918 -0.018 25588 4227 1 6 . 1 1 29 29 THR HA H 29 4.169 4.169 4.018 0.151 25588 4228 1 6 . 1 1 29 29 THR C C 29 174.500 174.500 176.430 -1.930 25588 4229 1 6 . 1 1 29 29 THR CA C 29 63.940 63.940 66.237 -2.297 25588 4230 1 6 . 1 1 29 29 THR CB C 29 65.170 65.170 68.562 -3.392 25588 4231 1 6 . 1 1 29 29 THR H H 29 9.066 9.066 8.733 0.333 25588 4232 1 6 . 1 1 30 30 LYS N N 30 120.800 120.800 121.920 -1.120 25588 4233 1 6 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.992 0.119 25588 4234 1 6 . 1 1 30 30 LYS C C 30 177.200 177.200 179.022 -1.822 25588 4235 1 6 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.408 -2.878 25588 4236 1 6 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.212 -2.252 25588 4237 1 6 . 1 1 30 30 LYS H H 30 7.664 7.664 7.698 -0.034 25588 4238 1 6 . 1 1 31 31 GLU N N 31 121.400 121.400 119.190 2.210 25588 4239 1 6 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.010 0.055 25588 4240 1 6 . 1 1 31 31 GLU C C 31 176.500 176.500 179.192 -2.692 25588 4241 1 6 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.069 -2.490 25588 4242 1 6 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.752 -2.592 25588 4243 1 6 . 1 1 31 31 GLU H H 31 7.635 7.635 7.466 0.169 25588 4244 1 6 . 1 1 32 32 LEU N N 32 120.600 120.600 121.026 -0.426 25588 4245 1 6 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.332 -0.250 25588 4246 1 6 . 1 1 32 32 LEU C C 32 176.300 176.300 178.937 -2.637 25588 4247 1 6 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.426 -2.017 25588 4248 1 6 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.866 -1.896 25588 4249 1 6 . 1 1 32 32 LEU H H 32 8.699 8.699 7.706 0.993 25588 4250 1 6 . 1 1 33 33 GLY N N 33 105.600 105.600 104.675 0.925 25588 4251 1 6 . 1 1 33 33 GLY C C 33 172.500 172.500 176.057 -3.557 25588 4252 1 6 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.493 -1.773 25588 4253 1 6 . 1 1 33 33 GLY H H 33 8.616 8.616 8.812 -0.196 25588 4254 1 6 . 1 1 34 34 THR N N 34 118.000 118.000 119.214 -1.214 25588 4255 1 6 . 1 1 34 34 THR HA H 34 3.913 3.913 3.982 -0.069 25588 4256 1 6 . 1 1 34 34 THR C C 34 174.500 174.500 176.372 -1.872 25588 4257 1 6 . 1 1 34 34 THR CA C 34 64.250 64.250 66.603 -2.353 25588 4258 1 6 . 1 1 34 34 THR CB C 34 66.100 66.100 68.591 -2.491 25588 4259 1 6 . 1 1 34 34 THR H H 34 7.867 7.867 7.328 0.539 25588 4260 1 6 . 1 1 35 35 VAL N N 35 122.100 122.100 121.336 0.764 25588 4261 1 6 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.635 -0.177 25588 4262 1 6 . 1 1 35 35 VAL C C 35 176.500 176.500 177.320 -0.820 25588 4263 1 6 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.968 -2.338 25588 4264 1 6 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.222 -3.102 25588 4265 1 6 . 1 1 35 35 VAL H H 35 7.613 7.613 7.732 -0.119 25588 4266 1 6 . 1 1 36 36 MET N N 36 118.400 118.400 117.574 0.826 25588 4267 1 6 . 1 1 36 36 MET HA H 36 4.095 4.095 4.040 0.055 25588 4268 1 6 . 1 1 36 36 MET C C 36 176.500 176.500 177.798 -1.298 25588 4269 1 6 . 1 1 36 36 MET CA C 36 56.420 56.420 57.602 -1.182 25588 4270 1 6 . 1 1 36 36 MET H H 36 8.440 8.440 7.503 0.937 25588 4271 1 6 . 1 1 37 37 ARG N N 37 119.000 119.000 118.142 0.858 25588 4272 1 6 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.037 0.764 25588 4273 1 6 . 1 1 37 37 ARG C C 37 178.500 178.500 179.358 -0.858 25588 4274 1 6 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.322 -2.902 25588 4275 1 6 . 1 1 37 37 ARG H H 37 8.474 8.474 8.068 0.406 25588 4276 1 6 . 1 1 38 38 SER N N 38 118.800 118.800 115.115 3.685 25588 4277 1 6 . 1 1 38 38 SER HA H 38 4.380 4.380 4.265 0.115 25588 4278 1 6 . 1 1 38 38 SER C C 38 172.200 172.200 175.629 -3.429 25588 4279 1 6 . 1 1 38 38 SER CA C 38 58.930 58.930 61.547 -2.617 25588 4280 1 6 . 1 1 38 38 SER CB C 38 60.200 60.200 62.791 -2.591 25588 4281 1 6 . 1 1 38 38 SER H H 38 7.899 7.899 8.010 -0.111 25588 4282 1 6 . 1 1 39 39 LEU N N 39 120.600 120.600 118.232 2.368 25588 4283 1 6 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.623 -0.128 25588 4284 1 6 . 1 1 39 39 LEU C C 39 174.800 174.800 177.586 -2.786 25588 4285 1 6 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.973 -2.043 25588 4286 1 6 . 1 1 39 39 LEU H H 39 7.364 7.364 7.372 -0.008 25588 4287 1 6 . 1 1 40 40 GLY N N 40 106.800 106.800 109.421 -2.621 25588 4288 1 6 . 1 1 40 40 GLY C C 40 171.700 171.700 174.367 -2.667 25588 4289 1 6 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.630 -3.660 25588 4290 1 6 . 1 1 40 40 GLY H H 40 7.862 7.862 8.009 -0.147 25588 4291 1 6 . 1 1 41 41 GLN N N 41 118.400 118.400 122.522 -4.122 25588 4292 1 6 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.427 0.053 25588 4293 1 6 . 1 1 41 41 GLN C C 41 171.400 171.400 173.443 -2.043 25588 4294 1 6 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.294 -3.404 25588 4295 1 6 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.260 -3.180 25588 4296 1 6 . 1 1 41 41 GLN H H 41 7.788 7.788 8.571 -0.783 25588 4297 1 6 . 1 1 42 42 ASN N N 42 116.300 116.300 123.081 -6.781 25588 4298 1 6 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.385 -0.192 25588 4299 1 6 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.589 -0.969 25588 4300 1 6 . 1 1 42 42 ASN H H 42 8.665 8.665 8.179 0.486 25588 4301 1 6 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.085 0.650 25588 4302 1 6 . 1 1 43 43 PRO C C 43 175.100 175.100 178.157 -3.057 25588 4303 1 6 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.556 -5.776 25588 4304 1 6 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.652 -2.262 25588 4305 1 6 . 1 1 44 44 THR N N 44 112.900 112.900 113.084 -0.184 25588 4306 1 6 . 1 1 44 44 THR HA H 44 4.707 4.707 3.958 0.749 25588 4307 1 6 . 1 1 44 44 THR C C 44 172.600 172.600 176.831 -4.231 25588 4308 1 6 . 1 1 44 44 THR CA C 44 57.830 57.830 66.650 -8.820 25588 4309 1 6 . 1 1 44 44 THR CB C 44 68.490 68.490 68.338 0.152 25588 4310 1 6 . 1 1 44 44 THR H H 44 8.702 8.702 7.888 0.814 25588 4311 1 6 . 1 1 45 45 GLU N N 45 120.800 120.800 120.271 0.529 25588 4312 1 6 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.294 -0.319 25588 4313 1 6 . 1 1 45 45 GLU C C 45 176.300 176.300 178.451 -2.151 25588 4314 1 6 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.384 -0.924 25588 4315 1 6 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.530 -3.110 25588 4316 1 6 . 1 1 45 45 GLU H H 45 8.789 8.789 8.581 0.208 25588 4317 1 6 . 1 1 46 46 ALA N N 46 120.700 120.700 123.789 -3.089 25588 4318 1 6 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.050 0.039 25588 4319 1 6 . 1 1 46 46 ALA C C 46 177.700 177.700 179.740 -2.040 25588 4320 1 6 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.338 -2.928 25588 4321 1 6 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.919 -2.269 25588 4322 1 6 . 1 1 46 46 ALA H H 46 8.241 8.241 8.271 -0.030 25588 4323 1 6 . 1 1 47 47 GLU N N 47 118.900 118.900 118.080 0.820 25588 4324 1 6 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.145 -0.143 25588 4325 1 6 . 1 1 47 47 GLU C C 47 177.500 177.500 179.255 -1.755 25588 4326 1 6 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.826 -2.416 25588 4327 1 6 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.673 -2.613 25588 4328 1 6 . 1 1 47 47 GLU H H 47 7.682 7.682 7.882 -0.200 25588 4329 1 6 . 1 1 48 48 LEU N N 48 120.600 120.600 120.307 0.293 25588 4330 1 6 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.010 0.051 25588 4331 1 6 . 1 1 48 48 LEU C C 48 175.900 175.900 178.793 -2.893 25588 4332 1 6 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.069 -1.799 25588 4333 1 6 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.691 -1.951 25588 4334 1 6 . 1 1 48 48 LEU H H 48 8.169 8.169 7.479 0.690 25588 4335 1 6 . 1 1 49 49 GLN N N 49 118.200 118.200 119.543 -1.343 25588 4336 1 6 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.831 -0.004 25588 4337 1 6 . 1 1 49 49 GLN C C 49 175.900 175.900 177.557 -1.657 25588 4338 1 6 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.233 -3.263 25588 4339 1 6 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.758 -2.238 25588 4340 1 6 . 1 1 49 49 GLN H H 49 8.179 8.179 8.692 -0.513 25588 4341 1 6 . 1 1 50 50 ASP N N 50 119.900 119.900 118.810 1.090 25588 4342 1 6 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.411 -0.028 25588 4343 1 6 . 1 1 50 50 ASP C C 50 175.900 175.900 178.644 -2.744 25588 4344 1 6 . 1 1 50 50 ASP CA C 50 54.950 54.950 57.084 -2.134 25588 4345 1 6 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.232 -2.442 25588 4346 1 6 . 1 1 50 50 ASP H H 50 8.037 8.037 7.847 0.190 25588 4347 1 6 . 1 1 51 51 MET N N 51 119.300 119.300 119.898 -0.598 25588 4348 1 6 . 1 1 51 51 MET HA H 51 4.028 4.028 4.164 -0.136 25588 4349 1 6 . 1 1 51 51 MET C C 51 176.200 176.200 178.482 -2.282 25588 4350 1 6 . 1 1 51 51 MET CA C 51 56.710 56.710 58.671 -1.961 25588 4351 1 6 . 1 1 51 51 MET CB C 51 30.570 30.570 32.695 -2.125 25588 4352 1 6 . 1 1 51 51 MET H H 51 7.855 7.855 7.279 0.576 25588 4353 1 6 . 1 1 52 52 ILE N N 52 118.200 118.200 119.665 -1.465 25588 4354 1 6 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.489 -0.000 25588 4355 1 6 . 1 1 52 52 ILE C C 52 175.100 175.100 177.967 -2.867 25588 4356 1 6 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.694 -3.474 25588 4357 1 6 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.594 1.736 25588 4358 1 6 . 1 1 52 52 ILE H H 52 7.701 7.701 8.852 -1.151 25588 4359 1 6 . 1 1 53 53 ASN N N 53 117.700 117.700 117.534 0.166 25588 4360 1 6 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.403 -0.042 25588 4361 1 6 . 1 1 53 53 ASN C C 53 174.800 174.800 177.705 -2.905 25588 4362 1 6 . 1 1 53 53 ASN CA C 53 53.290 53.290 55.949 -2.659 25588 4363 1 6 . 1 1 53 53 ASN CB C 53 35.440 35.440 37.797 -2.357 25588 4364 1 6 . 1 1 53 53 ASN H H 53 8.529 8.529 7.927 0.602 25588 4365 1 6 . 1 1 54 54 GLU N N 54 116.400 116.400 120.617 -4.217 25588 4366 1 6 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.058 -0.037 25588 4367 1 6 . 1 1 54 54 GLU C C 54 175.000 175.000 179.009 -4.009 25588 4368 1 6 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.416 -3.176 25588 4369 1 6 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.738 -1.908 25588 4370 1 6 . 1 1 54 54 GLU H H 54 7.573 7.573 7.979 -0.406 25588 4371 1 6 . 1 1 55 55 VAL N N 55 108.400 108.400 118.689 -10.289 25588 4372 1 6 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.865 0.581 25588 4373 1 6 . 1 1 55 55 VAL C C 55 173.100 173.100 177.604 -4.504 25588 4374 1 6 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.179 -7.089 25588 4375 1 6 . 1 1 55 55 VAL H H 55 7.204 7.204 7.737 -0.533 25588 4376 1 6 . 1 1 56 56 ASP N N 56 126.900 126.900 119.420 7.480 25588 4377 1 6 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.524 0.114 25588 4378 1 6 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.965 -3.915 25588 4379 1 6 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.930 -3.450 25588 4380 1 6 . 1 1 56 56 ASP H H 56 7.649 7.649 8.198 -0.549 25588 4381 1 6 . 1 1 57 57 ALA N N 57 131.900 131.900 121.141 10.759 25588 4382 1 6 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.187 -0.005 25588 4383 1 6 . 1 1 57 57 ALA C C 57 176.000 176.000 177.720 -1.720 25588 4384 1 6 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.228 -1.538 25588 4385 1 6 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.107 -1.206 25588 4386 1 6 . 1 1 57 57 ALA H H 57 8.458 8.458 7.913 0.545 25588 4387 1 6 . 1 1 58 58 ASP N N 58 113.800 113.800 118.556 -4.756 25588 4388 1 6 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.417 0.194 25588 4389 1 6 . 1 1 58 58 ASP C C 58 175.200 175.200 177.098 -1.898 25588 4390 1 6 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.472 -5.432 25588 4391 1 6 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.688 -3.488 25588 4392 1 6 . 1 1 58 58 ASP H H 58 8.125 8.125 7.657 0.468 25588 4393 1 6 . 1 1 59 59 GLY N N 59 108.400 108.400 105.966 2.434 25588 4394 1 6 . 1 1 59 59 GLY C C 59 172.500 172.500 173.382 -0.882 25588 4395 1 6 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.205 -0.545 25588 4396 1 6 . 1 1 59 59 GLY H H 59 7.550 7.550 7.792 -0.242 25588 4397 1 6 . 1 1 60 60 ASN N N 60 120.600 120.600 116.737 3.863 25588 4398 1 6 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.707 -0.220 25588 4399 1 6 . 1 1 60 60 ASN C C 60 174.800 174.800 174.772 0.028 25588 4400 1 6 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.705 -1.525 25588 4401 1 6 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.139 -1.299 25588 4402 1 6 . 1 1 60 60 ASN H H 60 8.356 8.356 8.180 0.176 25588 4403 1 6 . 1 1 61 61 GLY N N 61 113.300 113.300 106.373 6.927 25588 4404 1 6 . 1 1 61 61 GLY C C 61 171.100 171.100 173.806 -2.706 25588 4405 1 6 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.751 -2.921 25588 4406 1 6 . 1 1 61 61 GLY H H 61 10.610 10.610 8.725 1.885 25588 4407 1 6 . 1 1 62 62 THR N N 62 112.900 112.900 112.066 0.834 25588 4408 1 6 . 1 1 62 62 THR HA H 62 4.756 4.756 4.994 -0.238 25588 4409 1 6 . 1 1 62 62 THR C C 62 170.500 170.500 173.312 -2.812 25588 4410 1 6 . 1 1 62 62 THR CA C 62 57.050 57.050 59.750 -2.700 25588 4411 1 6 . 1 1 62 62 THR CB C 62 69.100 69.100 72.163 -3.063 25588 4412 1 6 . 1 1 62 62 THR H H 62 8.111 8.111 7.746 0.365 25588 4413 1 6 . 1 1 63 63 ILE N N 63 123.900 123.900 123.540 0.360 25588 4414 1 6 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.328 0.824 25588 4415 1 6 . 1 1 63 63 ILE C C 63 172.900 172.900 174.387 -1.487 25588 4416 1 6 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.315 -2.955 25588 4417 1 6 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.612 -4.753 25588 4418 1 6 . 1 1 63 63 ILE H H 63 8.905 8.905 8.975 -0.070 25588 4419 1 6 . 1 1 64 64 ASP N N 64 128.200 128.200 126.299 1.901 25588 4420 1 6 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.688 0.654 25588 4421 1 6 . 1 1 64 64 ASP C C 64 173.700 173.700 176.964 -3.264 25588 4422 1 6 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.750 -5.280 25588 4423 1 6 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.688 -2.038 25588 4424 1 6 . 1 1 64 64 ASP H H 64 8.778 8.778 8.642 0.136 25588 4425 1 6 . 1 1 65 65 PHE N N 65 118.700 118.700 120.496 -1.796 25588 4426 1 6 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.228 -2.208 25588 4427 1 6 . 1 1 65 65 PHE H H 65 8.903 8.903 8.997 -0.094 25588 4428 1 6 . 1 1 66 66 PRO C C 66 177.400 177.400 178.883 -1.483 25588 4429 1 6 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.159 -2.199 25588 4430 1 6 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.411 -3.351 25588 4431 1 6 . 1 1 67 67 GLU N N 67 117.600 117.600 116.881 0.719 25588 4432 1 6 . 1 1 67 67 GLU C C 67 176.100 176.100 178.610 -2.510 25588 4433 1 6 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.317 -2.247 25588 4434 1 6 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.317 -2.567 25588 4435 1 6 . 1 1 67 67 GLU H H 67 7.894 7.894 8.690 -0.796 25588 4436 1 6 . 1 1 68 68 PHE N N 68 123.500 123.500 123.015 0.485 25588 4437 1 6 . 1 1 68 68 PHE C C 68 174.400 174.400 176.591 -2.191 25588 4438 1 6 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.704 -3.094 25588 4439 1 6 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.929 -1.409 25588 4440 1 6 . 1 1 68 68 PHE H H 68 8.826 8.826 8.044 0.782 25588 4441 1 6 . 1 1 69 69 LEU N N 69 119.000 119.000 118.117 0.883 25588 4442 1 6 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.786 -0.452 25588 4443 1 6 . 1 1 69 69 LEU C C 69 176.600 176.600 179.084 -2.484 25588 4444 1 6 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.206 -2.856 25588 4445 1 6 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.541 -3.361 25588 4446 1 6 . 1 1 69 69 LEU H H 69 8.321 8.321 8.186 0.135 25588 4447 1 6 . 1 1 70 70 THR N N 70 115.500 115.500 115.345 0.155 25588 4448 1 6 . 1 1 70 70 THR HA H 70 4.317 4.317 3.911 0.406 25588 4449 1 6 . 1 1 70 70 THR C C 70 173.400 173.400 176.262 -2.862 25588 4450 1 6 . 1 1 70 70 THR CA C 70 63.720 63.720 66.766 -3.046 25588 4451 1 6 . 1 1 70 70 THR CB C 70 65.630 65.630 68.522 -2.892 25588 4452 1 6 . 1 1 70 70 THR H H 70 7.476 7.476 7.593 -0.117 25588 4453 1 6 . 1 1 71 71 MET N N 71 121.700 121.700 121.521 0.179 25588 4454 1 6 . 1 1 71 71 MET HA H 71 3.758 3.758 3.989 -0.231 25588 4455 1 6 . 1 1 71 71 MET C C 71 175.600 175.600 177.766 -2.166 25588 4456 1 6 . 1 1 71 71 MET CA C 71 56.370 56.370 59.346 -2.975 25588 4457 1 6 . 1 1 71 71 MET CB C 71 30.590 30.590 32.593 -2.002 25588 4458 1 6 . 1 1 71 71 MET H H 71 7.774 7.774 8.355 -0.581 25588 4459 1 6 . 1 1 72 72 MET N N 72 116.900 116.900 117.102 -0.202 25588 4460 1 6 . 1 1 72 72 MET HA H 72 3.993 3.993 3.997 -0.004 25588 4461 1 6 . 1 1 72 72 MET C C 72 175.900 175.900 178.433 -2.533 25588 4462 1 6 . 1 1 72 72 MET CA C 72 53.200 53.200 57.141 -3.941 25588 4463 1 6 . 1 1 72 72 MET CB C 72 28.520 28.520 30.773 -2.253 25588 4464 1 6 . 1 1 72 72 MET H H 72 8.082 8.082 8.126 -0.044 25588 4465 1 6 . 1 1 73 73 ALA N N 73 122.300 122.300 123.270 -0.970 25588 4466 1 6 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.949 0.125 25588 4467 1 6 . 1 1 73 73 ALA C C 73 177.200 177.200 179.311 -2.111 25588 4468 1 6 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.093 -3.123 25588 4469 1 6 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.384 -2.644 25588 4470 1 6 . 1 1 73 73 ALA H H 73 8.149 8.149 8.227 -0.078 25588 4471 1 6 . 1 1 74 74 ARG N N 74 116.600 116.600 117.080 -0.480 25588 4472 1 6 . 1 1 74 74 ARG C C 74 175.200 175.200 178.660 -3.460 25588 4473 1 6 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.781 -3.221 25588 4474 1 6 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.243 -2.593 25588 4475 1 6 . 1 1 74 74 ARG H H 74 7.564 7.564 7.824 -0.260 25588 4476 1 6 . 1 1 75 75 LYS N N 75 118.800 118.800 117.257 1.543 25588 4477 1 6 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.148 0.047 25588 4478 1 6 . 1 1 75 75 LYS C C 75 175.100 175.100 177.559 -2.459 25588 4479 1 6 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.660 -2.930 25588 4480 1 6 . 1 1 75 75 LYS H H 75 7.668 7.668 8.064 -0.396 25588 4481 1 6 . 1 1 76 76 MET N N 76 118.300 118.300 118.249 0.051 25588 4482 1 6 . 1 1 76 76 MET HA H 76 4.331 4.331 4.577 -0.246 25588 4483 1 6 . 1 1 76 76 MET C C 76 173.900 173.900 174.749 -0.849 25588 4484 1 6 . 1 1 76 76 MET CA C 76 54.010 54.010 52.818 1.192 25588 4485 1 6 . 1 1 76 76 MET H H 76 7.861 7.861 8.220 -0.359 25588 4486 1 6 . 1 1 77 77 LYS N N 77 120.200 120.200 124.053 -3.853 25588 4487 1 6 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.316 -0.018 25588 4488 1 6 . 1 1 77 77 LYS C C 77 173.800 173.800 176.939 -3.139 25588 4489 1 6 . 1 1 77 77 LYS CA C 77 54.070 54.070 56.123 -2.053 25588 4490 1 6 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.635 -3.265 25588 4491 1 6 . 1 1 77 77 LYS H H 77 7.797 7.797 8.429 -0.632 25588 4492 1 6 . 1 1 78 78 ASP N N 78 121.400 121.400 124.339 -2.939 25588 4493 1 6 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.391 0.282 25588 4494 1 6 . 1 1 78 78 ASP C C 78 173.900 173.900 177.577 -3.677 25588 4495 1 6 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.170 -3.270 25588 4496 1 6 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.463 -2.953 25588 4497 1 6 . 1 1 78 78 ASP H H 78 8.191 8.191 8.614 -0.423 25588 4498 1 6 . 1 1 79 79 THR N N 79 114.600 114.600 109.725 4.875 25588 4499 1 6 . 1 1 79 79 THR HA H 79 4.263 4.263 4.089 0.174 25588 4500 1 6 . 1 1 79 79 THR C C 79 171.900 171.900 175.445 -3.545 25588 4501 1 6 . 1 1 79 79 THR CA C 79 59.510 59.510 65.029 -5.519 25588 4502 1 6 . 1 1 79 79 THR CB C 79 67.090 67.090 68.704 -1.614 25588 4503 1 6 . 1 1 79 79 THR H H 79 8.063 8.063 8.378 -0.315 25588 4504 1 6 . 1 1 80 80 ASP N N 80 123.100 123.100 122.392 0.708 25588 4505 1 6 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.550 0.162 25588 4506 1 6 . 1 1 80 80 ASP C C 80 173.900 173.900 178.193 -4.293 25588 4507 1 6 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.509 -4.609 25588 4508 1 6 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.527 -0.857 25588 4509 1 6 . 1 1 80 80 ASP H H 80 8.423 8.423 8.653 -0.230 25588 4510 1 6 . 1 1 81 81 SER N N 81 116.900 116.900 115.827 1.073 25588 4511 1 6 . 1 1 81 81 SER HA H 81 4.498 4.498 4.184 0.314 25588 4512 1 6 . 1 1 81 81 SER C C 81 172.700 172.700 175.770 -3.070 25588 4513 1 6 . 1 1 81 81 SER CA C 81 56.360 56.360 60.867 -4.506 25588 4514 1 6 . 1 1 81 81 SER CB C 81 61.310 61.310 62.727 -1.417 25588 4515 1 6 . 1 1 81 81 SER H H 81 8.357 8.357 7.706 0.651 25588 4516 1 6 . 1 1 82 82 GLU N N 82 122.800 122.800 122.755 0.045 25588 4517 1 6 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.811 0.317 25588 4518 1 6 . 1 1 82 82 GLU C C 82 175.300 175.300 178.603 -3.303 25588 4519 1 6 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.710 -3.440 25588 4520 1 6 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.471 -2.721 25588 4521 1 6 . 1 1 82 82 GLU H H 82 8.532 8.532 7.813 0.719 25588 4522 1 6 . 1 1 83 83 GLU N N 83 119.400 119.400 117.233 2.167 25588 4523 1 6 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.137 -0.103 25588 4524 1 6 . 1 1 83 83 GLU C C 83 176.000 176.000 179.000 -3.000 25588 4525 1 6 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.890 -1.820 25588 4526 1 6 . 1 1 83 83 GLU H H 83 8.365 8.365 7.698 0.667 25588 4527 1 6 . 1 1 84 84 GLU N N 84 118.700 118.700 119.516 -0.816 25588 4528 1 6 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.124 0.023 25588 4529 1 6 . 1 1 84 84 GLU C C 84 177.000 177.000 179.358 -2.358 25588 4530 1 6 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.647 -1.977 25588 4531 1 6 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.593 -2.793 25588 4532 1 6 . 1 1 84 84 GLU H H 84 8.073 8.073 7.481 0.592 25588 4533 1 6 . 1 1 85 85 ILE N N 85 122.200 122.200 119.527 2.673 25588 4534 1 6 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.630 0.364 25588 4535 1 6 . 1 1 85 85 ILE C C 85 175.300 175.300 177.637 -2.337 25588 4536 1 6 . 1 1 85 85 ILE CA C 85 62.130 62.130 63.908 -1.778 25588 4537 1 6 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.322 -2.822 25588 4538 1 6 . 1 1 85 85 ILE H H 85 8.043 8.043 8.762 -0.719 25588 4539 1 6 . 1 1 86 86 ARG N N 86 121.700 121.700 120.076 1.624 25588 4540 1 6 . 1 1 86 86 ARG C C 86 176.700 176.700 178.960 -2.260 25588 4541 1 6 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.878 -2.518 25588 4542 1 6 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.747 -2.697 25588 4543 1 6 . 1 1 86 86 ARG H H 86 8.415 8.415 7.774 0.641 25588 4544 1 6 . 1 1 87 87 GLU N N 87 118.600 118.600 119.629 -1.029 25588 4545 1 6 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.159 -0.050 25588 4546 1 6 . 1 1 87 87 GLU C C 87 175.900 175.900 177.789 -1.889 25588 4547 1 6 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.865 -2.435 25588 4548 1 6 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.320 -2.770 25588 4549 1 6 . 1 1 87 87 GLU H H 87 8.056 8.056 7.833 0.223 25588 4550 1 6 . 1 1 88 88 ALA N N 88 122.000 122.000 120.897 1.103 25588 4551 1 6 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.219 -0.001 25588 4552 1 6 . 1 1 88 88 ALA C C 88 176.600 176.600 179.136 -2.536 25588 4553 1 6 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.055 -1.605 25588 4554 1 6 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.054 -2.754 25588 4555 1 6 . 1 1 88 88 ALA H H 88 7.934 7.934 7.477 0.457 25588 4556 1 6 . 1 1 89 89 PHE N N 89 118.900 118.900 120.680 -1.780 25588 4557 1 6 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.202 -1.051 25588 4558 1 6 . 1 1 89 89 PHE C C 89 173.800 173.800 177.288 -3.488 25588 4559 1 6 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.693 -2.193 25588 4560 1 6 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.075 -2.705 25588 4561 1 6 . 1 1 89 89 PHE H H 89 8.537 8.537 7.864 0.673 25588 4562 1 6 . 1 1 90 90 ARG N N 90 115.600 115.600 118.832 -3.232 25588 4563 1 6 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.726 0.138 25588 4564 1 6 . 1 1 90 90 ARG C C 90 175.500 175.500 177.956 -2.456 25588 4565 1 6 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.265 -3.155 25588 4566 1 6 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.109 -2.459 25588 4567 1 6 . 1 1 90 90 ARG H H 90 7.656 7.656 7.836 -0.180 25588 4568 1 6 . 1 1 91 91 VAL N N 91 118.300 118.300 118.064 0.236 25588 4569 1 6 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.771 -0.284 25588 4570 1 6 . 1 1 91 91 VAL C C 91 174.700 174.700 178.382 -3.682 25588 4571 1 6 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.930 -2.920 25588 4572 1 6 . 1 1 91 91 VAL H H 91 7.496 7.496 7.419 0.077 25588 4573 1 6 . 1 1 92 92 PHE N N 92 116.300 116.300 119.403 -3.103 25588 4574 1 6 . 1 1 92 92 PHE C C 92 174.300 174.300 176.038 -1.738 25588 4575 1 6 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.853 -3.443 25588 4576 1 6 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.612 -1.992 25588 4577 1 6 . 1 1 92 92 PHE H H 92 7.460 7.460 8.630 -1.170 25588 4578 1 6 . 1 1 93 93 ASP N N 93 116.900 116.900 117.974 -1.074 25588 4579 1 6 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.721 -0.217 25588 4580 1 6 . 1 1 93 93 ASP C C 93 174.900 174.900 175.671 -0.771 25588 4581 1 6 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.542 -3.002 25588 4582 1 6 . 1 1 93 93 ASP H H 93 7.821 7.821 8.119 -0.298 25588 4583 1 6 . 1 1 94 94 LYS N N 94 125.900 125.900 123.793 2.107 25588 4584 1 6 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.108 -0.220 25588 4585 1 6 . 1 1 94 94 LYS C C 94 175.700 175.700 177.519 -1.819 25588 4586 1 6 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.451 -2.041 25588 4587 1 6 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.646 -2.476 25588 4588 1 6 . 1 1 94 94 LYS H H 94 7.689 7.689 8.237 -0.548 25588 4589 1 6 . 1 1 95 95 ASP N N 95 114.000 114.000 116.999 -2.999 25588 4590 1 6 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.377 0.177 25588 4591 1 6 . 1 1 95 95 ASP C C 95 175.100 175.100 177.913 -2.813 25588 4592 1 6 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.554 -5.234 25588 4593 1 6 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.128 -3.138 25588 4594 1 6 . 1 1 95 95 ASP H H 95 8.179 8.179 8.205 -0.026 25588 4595 1 6 . 1 1 96 96 GLY N N 96 109.300 109.300 109.865 -0.565 25588 4596 1 6 . 1 1 96 96 GLY C C 96 172.500 172.500 175.638 -3.138 25588 4597 1 6 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.644 -2.144 25588 4598 1 6 . 1 1 96 96 GLY H H 96 7.765 7.765 8.408 -0.643 25588 4599 1 6 . 1 1 97 97 ASN N N 97 119.600 119.600 122.972 -3.372 25588 4600 1 6 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.604 0.040 25588 4601 1 6 . 1 1 97 97 ASN C C 97 173.400 173.400 174.934 -1.534 25588 4602 1 6 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.034 -3.964 25588 4603 1 6 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.929 -3.409 25588 4604 1 6 . 1 1 97 97 ASN H H 97 8.302 8.302 8.547 -0.245 25588 4605 1 6 . 1 1 98 98 GLY N N 98 113.000 113.000 105.484 7.516 25588 4606 1 6 . 1 1 98 98 GLY C C 98 169.800 169.800 171.957 -2.157 25588 4607 1 6 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.538 -1.028 25588 4608 1 6 . 1 1 98 98 GLY H H 98 10.620 10.620 7.390 3.230 25588 4609 1 6 . 1 1 99 99 TYR N N 99 115.900 115.900 117.135 -1.235 25588 4610 1 6 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.837 0.199 25588 4611 1 6 . 1 1 99 99 TYR C C 99 171.900 171.900 175.694 -3.794 25588 4612 1 6 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.172 -2.782 25588 4613 1 6 . 1 1 99 99 TYR CB C 99 40.530 40.530 40.775 -0.245 25588 4614 1 6 . 1 1 99 99 TYR H H 99 7.597 7.597 7.731 -0.134 25588 4615 1 6 . 1 1 100 100 ILE N N 100 127.400 127.400 122.871 4.529 25588 4616 1 6 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.232 0.547 25588 4617 1 6 . 1 1 100 100 ILE C C 100 172.900 172.900 176.496 -3.596 25588 4618 1 6 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.643 -3.983 25588 4619 1 6 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.533 -2.583 25588 4620 1 6 . 1 1 100 100 ILE H H 100 10.120 10.120 8.388 1.732 25588 4621 1 6 . 1 1 101 101 SER N N 101 123.800 123.800 123.012 0.788 25588 4622 1 6 . 1 1 101 101 SER C C 101 172.600 172.600 175.766 -3.166 25588 4623 1 6 . 1 1 101 101 SER CA C 101 53.180 53.180 56.814 -3.634 25588 4624 1 6 . 1 1 101 101 SER CB C 101 63.970 63.970 65.593 -1.623 25588 4625 1 6 . 1 1 101 101 SER H H 101 8.944 8.944 8.201 0.743 25588 4626 1 6 . 1 1 102 102 ALA N N 102 122.900 122.900 124.049 -1.149 25588 4627 1 6 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.055 -0.141 25588 4628 1 6 . 1 1 102 102 ALA C C 102 176.700 176.700 179.059 -2.359 25588 4629 1 6 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.276 -1.976 25588 4630 1 6 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.242 -2.792 25588 4631 1 6 . 1 1 102 102 ALA H H 102 9.178 9.178 9.066 0.112 25588 4632 1 6 . 1 1 103 103 ALA N N 103 118.400 118.400 121.818 -3.418 25588 4633 1 6 . 1 1 103 103 ALA C C 103 178.700 178.700 179.862 -1.162 25588 4634 1 6 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.884 -2.334 25588 4635 1 6 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.313 -2.433 25588 4636 1 6 . 1 1 103 103 ALA H H 103 8.205 8.205 7.854 0.351 25588 4637 1 6 . 1 1 104 104 GLU N N 104 119.700 119.700 118.562 1.138 25588 4638 1 6 . 1 1 104 104 GLU C C 104 176.600 176.600 178.995 -2.395 25588 4639 1 6 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.908 -2.268 25588 4640 1 6 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.636 -2.996 25588 4641 1 6 . 1 1 104 104 GLU H H 104 7.835 7.835 7.723 0.112 25588 4642 1 6 . 1 1 105 105 LEU N N 105 121.000 121.000 121.263 -0.263 25588 4643 1 6 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.053 0.046 25588 4644 1 6 . 1 1 105 105 LEU C C 105 175.800 175.800 178.110 -2.310 25588 4645 1 6 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.906 -2.246 25588 4646 1 6 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.947 -7.387 25588 4647 1 6 . 1 1 105 105 LEU H H 105 8.571 8.571 8.212 0.359 25588 4648 1 6 . 1 1 106 106 ARG N N 106 117.500 117.500 118.811 -1.311 25588 4649 1 6 . 1 1 106 106 ARG C C 106 176.000 176.000 178.092 -2.092 25588 4650 1 6 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.094 -2.865 25588 4651 1 6 . 1 1 106 106 ARG H H 106 8.522 8.522 7.891 0.631 25588 4652 1 6 . 1 1 107 107 HIS N N 107 119.000 119.000 118.066 0.934 25588 4653 1 6 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.320 -0.034 25588 4654 1 6 . 1 1 107 107 HIS C C 107 174.900 174.900 177.599 -2.699 25588 4655 1 6 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.707 -2.617 25588 4656 1 6 . 1 1 107 107 HIS H H 107 7.889 7.889 7.743 0.146 25588 4657 1 6 . 1 1 108 108 VAL N N 108 118.900 118.900 119.678 -0.778 25588 4658 1 6 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.647 -0.162 25588 4659 1 6 . 1 1 108 108 VAL C C 108 175.400 175.400 178.153 -2.753 25588 4660 1 6 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.422 -2.902 25588 4661 1 6 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.454 -2.254 25588 4662 1 6 . 1 1 108 108 VAL H H 108 7.958 7.958 7.504 0.454 25588 4663 1 6 . 1 1 109 109 MET N N 109 116.400 116.400 118.156 -1.756 25588 4664 1 6 . 1 1 109 109 MET HA H 109 4.331 4.331 4.213 0.118 25588 4665 1 6 . 1 1 109 109 MET C C 109 176.000 176.000 178.786 -2.786 25588 4666 1 6 . 1 1 109 109 MET CA C 109 54.910 54.910 57.765 -2.855 25588 4667 1 6 . 1 1 109 109 MET CB C 109 28.750 28.750 31.211 -2.461 25588 4668 1 6 . 1 1 109 109 MET H H 109 8.247 8.247 8.477 -0.230 25588 4669 1 6 . 1 1 110 110 THR N N 110 114.900 114.900 115.590 -0.690 25588 4670 1 6 . 1 1 110 110 THR HA H 110 4.152 4.152 4.240 -0.088 25588 4671 1 6 . 1 1 110 110 THR C C 110 175.000 175.000 175.961 -0.961 25588 4672 1 6 . 1 1 110 110 THR CA C 110 63.270 63.270 65.858 -2.588 25588 4673 1 6 . 1 1 110 110 THR CB C 110 66.230 66.230 68.387 -2.157 25588 4674 1 6 . 1 1 110 110 THR H H 110 8.125 8.125 8.191 -0.066 25588 4675 1 6 . 1 1 111 111 ASN N N 111 122.200 122.200 117.911 4.289 25588 4676 1 6 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.458 -0.021 25588 4677 1 6 . 1 1 111 111 ASN C C 111 173.700 173.700 177.590 -3.890 25588 4678 1 6 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.240 -2.170 25588 4679 1 6 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.461 -2.641 25588 4680 1 6 . 1 1 111 111 ASN H H 111 7.867 7.867 7.492 0.375 25588 4681 1 6 . 1 1 112 112 LEU N N 112 119.100 119.100 119.105 -0.005 25588 4682 1 6 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.101 0.232 25588 4683 1 6 . 1 1 112 112 LEU C C 112 174.700 174.700 176.907 -2.207 25588 4684 1 6 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.565 -3.805 25588 4685 1 6 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.699 -3.248 25588 4686 1 6 . 1 1 112 112 LEU H H 112 7.850 7.850 7.301 0.549 25588 4687 1 6 . 1 1 113 113 GLY N N 113 106.800 106.800 103.985 2.815 25588 4688 1 6 . 1 1 113 113 GLY C C 113 171.700 171.700 172.171 -0.471 25588 4689 1 6 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.061 -2.271 25588 4690 1 6 . 1 1 113 113 GLY H H 113 7.830 7.830 7.471 0.359 25588 4691 1 6 . 1 1 114 114 GLU N N 114 120.600 120.600 119.214 1.386 25588 4692 1 6 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.650 -0.250 25588 4693 1 6 . 1 1 114 114 GLU C C 114 172.800 172.800 177.180 -4.380 25588 4694 1 6 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.070 -3.400 25588 4695 1 6 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.517 -2.557 25588 4696 1 6 . 1 1 114 114 GLU H H 114 7.914 7.914 8.683 -0.769 25588 4697 1 6 . 1 1 115 115 LYS N N 115 124.000 124.000 120.099 3.901 25588 4698 1 6 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.144 0.213 25588 4699 1 6 . 1 1 115 115 LYS C C 115 173.000 173.000 176.625 -3.625 25588 4700 1 6 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.328 -5.308 25588 4701 1 6 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.737 -3.328 25588 4702 1 6 . 1 1 115 115 LYS H H 115 8.505 8.505 8.414 0.091 25588 4703 1 6 . 1 1 116 116 LEU N N 116 125.000 125.000 117.202 7.798 25588 4704 1 6 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.658 0.101 25588 4705 1 6 . 1 1 116 116 LEU C C 116 175.300 175.300 176.808 -1.508 25588 4706 1 6 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.215 -1.795 25588 4707 1 6 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.686 -1.576 25588 4708 1 6 . 1 1 116 116 LEU H H 116 8.076 8.076 7.701 0.375 25588 4709 1 6 . 1 1 117 117 THR N N 117 114.500 114.500 109.923 4.577 25588 4710 1 6 . 1 1 117 117 THR HA H 117 4.453 4.453 4.272 0.181 25588 4711 1 6 . 1 1 117 117 THR C C 117 172.800 172.800 174.269 -1.469 25588 4712 1 6 . 1 1 117 117 THR CA C 117 57.970 57.970 61.665 -3.695 25588 4713 1 6 . 1 1 117 117 THR CB C 117 68.610 68.610 69.957 -1.347 25588 4714 1 6 . 1 1 117 117 THR H H 117 9.116 9.116 8.216 0.900 25588 4715 1 6 . 1 1 118 118 ASP N N 118 121.000 121.000 119.483 1.517 25588 4716 1 6 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.622 -0.426 25588 4717 1 6 . 1 1 118 118 ASP C C 118 175.900 175.900 177.683 -1.783 25588 4718 1 6 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.609 -1.249 25588 4719 1 6 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.959 -3.849 25588 4720 1 6 . 1 1 118 118 ASP H H 118 8.847 8.847 8.664 0.183 25588 4721 1 6 . 1 1 119 119 GLU N N 119 119.100 119.100 119.679 -0.579 25588 4722 1 6 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.418 -0.348 25588 4723 1 6 . 1 1 119 119 GLU C C 119 176.500 176.500 177.539 -1.039 25588 4724 1 6 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.721 -1.441 25588 4725 1 6 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.593 -3.163 25588 4726 1 6 . 1 1 119 119 GLU H H 119 8.626 8.626 8.477 0.149 25588 4727 1 6 . 1 1 120 120 GLU N N 120 120.500 120.500 118.536 1.964 25588 4728 1 6 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.063 -0.073 25588 4729 1 6 . 1 1 120 120 GLU C C 120 177.400 177.400 178.687 -1.287 25588 4730 1 6 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.401 -2.811 25588 4731 1 6 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.111 -0.321 25588 4732 1 6 . 1 1 120 120 GLU H H 120 7.724 7.724 8.893 -1.169 25588 4733 1 6 . 1 1 121 121 VAL N N 121 121.100 121.100 115.276 5.824 25588 4734 1 6 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.837 -0.250 25588 4735 1 6 . 1 1 121 121 VAL C C 121 174.600 174.600 177.605 -3.005 25588 4736 1 6 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.385 -1.075 25588 4737 1 6 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.059 -2.679 25588 4738 1 6 . 1 1 121 121 VAL H H 121 8.062 8.062 7.859 0.203 25588 4739 1 6 . 1 1 122 122 ASP N N 122 119.600 119.600 121.379 -1.779 25588 4740 1 6 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.348 -0.039 25588 4741 1 6 . 1 1 122 122 ASP C C 122 176.500 176.500 178.076 -1.576 25588 4742 1 6 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.268 -2.268 25588 4743 1 6 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.295 -2.395 25588 4744 1 6 . 1 1 122 122 ASP H H 122 8.007 8.007 7.924 0.083 25588 4745 1 6 . 1 1 123 123 GLU N N 123 119.300 119.300 117.408 1.892 25588 4746 1 6 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.290 -0.292 25588 4747 1 6 . 1 1 123 123 GLU C C 123 175.400 175.400 178.258 -2.858 25588 4748 1 6 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.836 -1.175 25588 4749 1 6 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.383 -3.592 25588 4750 1 6 . 1 1 123 123 GLU H H 123 7.967 7.967 8.245 -0.278 25588 4751 1 6 . 1 1 124 124 MET N N 124 119.600 119.600 120.699 -1.099 25588 4752 1 6 . 1 1 124 124 MET HA H 124 4.033 4.033 4.191 -0.158 25588 4753 1 6 . 1 1 124 124 MET C C 124 176.500 176.500 178.354 -1.854 25588 4754 1 6 . 1 1 124 124 MET CA C 124 56.970 56.970 58.236 -1.266 25588 4755 1 6 . 1 1 124 124 MET CB C 124 30.470 30.470 32.501 -2.030 25588 4756 1 6 . 1 1 124 124 MET H H 124 7.789 7.789 8.388 -0.599 25588 4757 1 6 . 1 1 125 125 ILE N N 125 118.500 118.500 116.725 1.775 25588 4758 1 6 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.759 -0.260 25588 4759 1 6 . 1 1 125 125 ILE C C 125 174.600 174.600 177.455 -2.855 25588 4760 1 6 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.666 -2.476 25588 4761 1 6 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.437 -3.927 25588 4762 1 6 . 1 1 125 125 ILE H H 125 7.940 7.940 7.974 -0.034 25588 4763 1 6 . 1 1 126 126 ARG N N 126 118.300 118.300 119.743 -1.443 25588 4764 1 6 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.059 -0.051 25588 4765 1 6 . 1 1 126 126 ARG C C 126 176.800 176.800 178.329 -1.529 25588 4766 1 6 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.416 -2.316 25588 4767 1 6 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.389 -2.819 25588 4768 1 6 . 1 1 126 126 ARG H H 126 8.168 8.168 7.338 0.830 25588 4769 1 6 . 1 1 127 127 GLU N N 127 116.300 116.300 119.398 -3.098 25588 4770 1 6 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.207 -0.224 25588 4771 1 6 . 1 1 127 127 GLU C C 127 174.700 174.700 177.481 -2.781 25588 4772 1 6 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.202 -2.322 25588 4773 1 6 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.574 -2.634 25588 4774 1 6 . 1 1 127 127 GLU H H 127 7.918 7.918 7.816 0.102 25588 4775 1 6 . 1 1 128 128 ALA N N 128 119.100 119.100 120.283 -1.183 25588 4776 1 6 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.171 0.247 25588 4777 1 6 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.754 -4.244 25588 4778 1 6 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.853 -0.113 25588 4779 1 6 . 1 1 128 128 ALA H H 128 7.354 7.354 7.602 -0.248 25588 4780 1 6 . 1 1 129 129 ASP N N 129 117.400 117.400 117.458 -0.058 25588 4781 1 6 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.642 -0.140 25588 4782 1 6 . 1 1 129 129 ASP C C 129 173.400 173.400 177.131 -3.731 25588 4783 1 6 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.027 -1.617 25588 4784 1 6 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.038 -4.338 25588 4785 1 6 . 1 1 129 129 ASP H H 129 7.871 7.871 7.665 0.206 25588 4786 1 6 . 1 1 130 130 ILE N N 130 128.000 128.000 121.652 6.348 25588 4787 1 6 . 1 1 130 130 ILE HA H 130 3.917 3.917 3.920 -0.003 25588 4788 1 6 . 1 1 130 130 ILE C C 130 175.300 175.300 176.714 -1.414 25588 4789 1 6 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.915 -2.205 25588 4790 1 6 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.498 -1.688 25588 4791 1 6 . 1 1 130 130 ILE H H 130 8.384 8.384 8.481 -0.097 25588 4792 1 6 . 1 1 131 131 ASP N N 131 116.800 116.800 119.968 -3.168 25588 4793 1 6 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.475 0.075 25588 4794 1 6 . 1 1 131 131 ASP C C 131 175.600 175.600 177.555 -1.955 25588 4795 1 6 . 1 1 131 131 ASP CA C 131 51.220 51.220 55.837 -4.617 25588 4796 1 6 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.294 -4.064 25588 4797 1 6 . 1 1 131 131 ASP H H 131 8.281 8.281 7.937 0.344 25588 4798 1 6 . 1 1 132 132 GLY N N 132 108.500 108.500 107.443 1.057 25588 4799 1 6 . 1 1 132 132 GLY C C 132 172.600 172.600 175.153 -2.553 25588 4800 1 6 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.064 -1.214 25588 4801 1 6 . 1 1 132 132 GLY H H 132 7.575 7.575 8.262 -0.687 25588 4802 1 6 . 1 1 133 133 ASP N N 133 120.800 120.800 119.475 1.325 25588 4803 1 6 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.583 -0.119 25588 4804 1 6 . 1 1 133 133 ASP C C 133 174.900 174.900 177.123 -2.223 25588 4805 1 6 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.019 -2.029 25588 4806 1 6 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.926 -3.336 25588 4807 1 6 . 1 1 133 133 ASP H H 133 8.326 8.326 7.737 0.589 25588 4808 1 6 . 1 1 134 134 GLY N N 134 112.900 112.900 109.443 3.457 25588 4809 1 6 . 1 1 134 134 GLY C C 134 170.200 170.200 172.508 -2.308 25588 4810 1 6 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.548 -2.498 25588 4811 1 6 . 1 1 134 134 GLY H H 134 10.310 10.310 7.818 2.492 25588 4812 1 6 . 1 1 135 135 GLN N N 135 115.400 115.400 120.748 -5.348 25588 4813 1 6 . 1 1 135 135 GLN HA H 135 4.860 4.860 5.212 -0.352 25588 4814 1 6 . 1 1 135 135 GLN C C 135 172.100 172.100 173.638 -1.538 25588 4815 1 6 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.178 -3.648 25588 4816 1 6 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.886 -2.866 25588 4817 1 6 . 1 1 135 135 GLN H H 135 7.937 7.937 8.052 -0.115 25588 4818 1 6 . 1 1 136 136 VAL N N 136 125.500 125.500 122.539 2.961 25588 4819 1 6 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.659 0.531 25588 4820 1 6 . 1 1 136 136 VAL C C 136 173.200 173.200 174.479 -1.279 25588 4821 1 6 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.600 -1.500 25588 4822 1 6 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.800 -3.880 25588 4823 1 6 . 1 1 136 136 VAL H H 136 9.112 9.112 8.676 0.436 25588 4824 1 6 . 1 1 137 137 ASN N N 137 129.000 129.000 122.625 6.375 25588 4825 1 6 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.277 -0.045 25588 4826 1 6 . 1 1 137 137 ASN C C 137 172.200 172.200 174.852 -2.652 25588 4827 1 6 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.859 -3.399 25588 4828 1 6 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.816 -6.126 25588 4829 1 6 . 1 1 137 137 ASN H H 137 9.509 9.509 8.235 1.274 25588 4830 1 6 . 1 1 138 138 TYR N N 138 118.400 118.400 123.031 -4.631 25588 4831 1 6 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.310 -0.886 25588 4832 1 6 . 1 1 138 138 TYR C C 138 173.500 173.500 177.147 -3.647 25588 4833 1 6 . 1 1 138 138 TYR CA C 138 60.030 60.030 63.013 -2.983 25588 4834 1 6 . 1 1 138 138 TYR H H 138 8.420 8.420 9.313 -0.893 25588 4835 1 6 . 1 1 139 139 GLU N N 139 118.400 118.400 118.329 0.071 25588 4836 1 6 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.902 -0.261 25588 4837 1 6 . 1 1 139 139 GLU C C 139 177.900 177.900 179.054 -1.154 25588 4838 1 6 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.081 -2.341 25588 4839 1 6 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.774 -2.384 25588 4840 1 6 . 1 1 139 139 GLU H H 139 8.066 8.066 8.958 -0.892 25588 4841 1 6 . 1 1 140 140 GLU N N 140 119.900 119.900 119.400 0.500 25588 4842 1 6 . 1 1 140 140 GLU C C 140 176.700 176.700 178.738 -2.038 25588 4843 1 6 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.646 -2.746 25588 4844 1 6 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.262 -2.062 25588 4845 1 6 . 1 1 140 140 GLU H H 140 8.728 8.728 8.407 0.321 25588 4846 1 6 . 1 1 141 141 PHE N N 141 124.600 124.600 120.767 3.833 25588 4847 1 6 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.093 -0.109 25588 4848 1 6 . 1 1 141 141 PHE C C 141 174.200 174.200 177.480 -3.280 25588 4849 1 6 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.211 -3.251 25588 4850 1 6 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.700 -1.430 25588 4851 1 6 . 1 1 141 141 PHE H H 141 8.920 8.920 8.430 0.490 25588 4852 1 6 . 1 1 142 142 VAL N N 142 119.300 119.300 117.865 1.435 25588 4853 1 6 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.488 -0.367 25588 4854 1 6 . 1 1 142 142 VAL C C 142 176.900 176.900 177.442 -0.542 25588 4855 1 6 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.531 -2.101 25588 4856 1 6 . 1 1 142 142 VAL H H 142 8.536 8.536 7.259 1.277 25588 4857 1 6 . 1 1 143 143 GLN N N 143 118.200 118.200 117.539 0.661 25588 4858 1 6 . 1 1 143 143 GLN HA H 143 3.851 3.851 3.990 -0.139 25588 4859 1 6 . 1 1 143 143 GLN C C 143 175.300 175.300 178.882 -3.582 25588 4860 1 6 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.954 -1.694 25588 4861 1 6 . 1 1 143 143 GLN H H 143 7.404 7.404 7.426 -0.022 25588 4862 1 6 . 1 1 144 144 MET N N 144 119.400 119.400 118.990 0.410 25588 4863 1 6 . 1 1 144 144 MET HA H 144 4.107 4.107 4.163 -0.056 25588 4864 1 6 . 1 1 144 144 MET C C 144 175.400 175.400 176.537 -1.137 25588 4865 1 6 . 1 1 144 144 MET CA C 144 55.500 55.500 58.178 -2.678 25588 4866 1 6 . 1 1 144 144 MET CB C 144 30.460 30.460 33.284 -2.824 25588 4867 1 6 . 1 1 144 144 MET H H 144 7.878 7.878 7.879 -0.001 25588 4868 1 6 . 1 1 145 145 MET N N 145 115.000 115.000 117.010 -2.010 25588 4869 1 6 . 1 1 145 145 MET HA H 145 4.281 4.281 4.645 -0.364 25588 4870 1 6 . 1 1 145 145 MET C C 145 174.900 174.900 174.744 0.156 25588 4871 1 6 . 1 1 145 145 MET CA C 145 52.740 52.740 55.279 -2.539 25588 4872 1 6 . 1 1 145 145 MET H H 145 7.852 7.852 7.426 0.426 25588 4873 1 6 . 1 1 146 146 THR N N 146 111.100 111.100 117.391 -6.291 25588 4874 1 6 . 1 1 146 146 THR HA H 146 4.306 4.306 4.441 -0.135 25588 4875 1 6 . 1 1 146 146 THR C C 146 171.600 171.600 173.516 -1.916 25588 4876 1 6 . 1 1 146 146 THR CA C 146 59.830 59.830 61.620 -1.790 25588 4877 1 6 . 1 1 146 146 THR CB C 146 67.510 67.510 69.223 -1.713 25588 4878 1 6 . 1 1 146 146 THR H H 146 7.571 7.571 8.405 -0.834 25588 4879 1 6 . 1 1 147 147 ALA N N 147 126.300 126.300 126.624 -0.324 25588 4880 1 6 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.095 0.205 25588 4881 1 6 . 1 1 147 147 ALA C C 147 174.000 174.000 176.527 -2.527 25588 4882 1 6 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.071 -3.881 25588 4883 1 6 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.483 -3.003 25588 4884 1 6 . 1 1 147 147 ALA H H 147 7.723 7.723 7.803 -0.080 25588 4885 1 7 . 1 1 2 2 ASP N N 2 118.400 118.400 121.596 -3.196 25588 4886 1 7 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.740 -0.126 25588 4887 1 7 . 1 1 2 2 ASP C C 2 173.000 173.000 176.338 -3.338 25588 4888 1 7 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.086 -2.066 25588 4889 1 7 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.250 -2.430 25588 4890 1 7 . 1 1 2 2 ASP H H 2 8.311 8.311 8.290 0.021 25588 4891 1 7 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.148 0.206 25588 4892 1 7 . 1 1 3 3 GLN C C 3 173.000 173.000 175.631 -2.631 25588 4893 1 7 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.859 -3.949 25588 4894 1 7 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.562 -2.412 25588 4895 1 7 . 1 1 3 3 GLN H H 3 8.321 8.321 8.667 -0.346 25588 4896 1 7 . 1 1 4 4 LEU N N 4 123.200 123.200 120.444 2.756 25588 4897 1 7 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.694 -0.044 25588 4898 1 7 . 1 1 4 4 LEU C C 4 175.100 175.100 175.274 -0.174 25588 4899 1 7 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.171 -2.381 25588 4900 1 7 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.489 -2.629 25588 4901 1 7 . 1 1 4 4 LEU H H 4 8.268 8.268 8.185 0.083 25588 4902 1 7 . 1 1 5 5 THR N N 5 113.000 113.000 116.569 -3.569 25588 4903 1 7 . 1 1 5 5 THR HA H 5 4.754 4.754 4.599 0.155 25588 4904 1 7 . 1 1 5 5 THR C C 5 172.800 172.800 174.975 -2.175 25588 4905 1 7 . 1 1 5 5 THR CA C 5 57.880 57.880 60.261 -2.381 25588 4906 1 7 . 1 1 5 5 THR CB C 5 68.480 68.480 71.243 -2.763 25588 4907 1 7 . 1 1 5 5 THR H H 5 8.682 8.682 8.023 0.659 25588 4908 1 7 . 1 1 6 6 GLU N N 6 120.500 120.500 121.598 -1.098 25588 4909 1 7 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.029 -0.066 25588 4910 1 7 . 1 1 6 6 GLU C C 6 176.800 176.800 177.935 -1.135 25588 4911 1 7 . 1 1 6 6 GLU CA C 6 57.430 57.430 58.863 -1.433 25588 4912 1 7 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.290 -2.770 25588 4913 1 7 . 1 1 6 6 GLU H H 6 8.990 8.990 9.005 -0.015 25588 4914 1 7 . 1 1 7 7 GLU N N 7 119.600 119.600 118.231 1.369 25588 4915 1 7 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.000 0.069 25588 4916 1 7 . 1 1 7 7 GLU C C 7 176.500 176.500 178.973 -2.473 25588 4917 1 7 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.259 -1.879 25588 4918 1 7 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.231 -2.801 25588 4919 1 7 . 1 1 7 7 GLU H H 7 8.668 8.668 8.763 -0.095 25588 4920 1 7 . 1 1 8 8 GLN N N 8 120.100 120.100 117.734 2.366 25588 4921 1 7 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.357 -0.488 25588 4922 1 7 . 1 1 8 8 GLN C C 8 175.700 175.700 178.968 -3.268 25588 4923 1 7 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.379 -2.429 25588 4924 1 7 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.806 -1.996 25588 4925 1 7 . 1 1 8 8 GLN H H 8 7.721 7.721 7.519 0.202 25588 4926 1 7 . 1 1 9 9 ILE N N 9 119.600 119.600 120.816 -1.216 25588 4927 1 7 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.858 -0.146 25588 4928 1 7 . 1 1 9 9 ILE C C 9 175.100 175.100 177.849 -2.749 25588 4929 1 7 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.706 -1.176 25588 4930 1 7 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.859 -2.779 25588 4931 1 7 . 1 1 9 9 ILE H H 9 8.373 8.373 7.532 0.841 25588 4932 1 7 . 1 1 10 10 ALA N N 10 121.300 121.300 121.220 0.080 25588 4933 1 7 . 1 1 10 10 ALA C C 10 178.400 178.400 179.028 -0.628 25588 4934 1 7 . 1 1 10 10 ALA CA C 10 52.790 52.790 54.912 -2.122 25588 4935 1 7 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.863 -2.503 25588 4936 1 7 . 1 1 10 10 ALA H H 10 7.984 7.984 8.302 -0.318 25588 4937 1 7 . 1 1 11 11 GLU N N 11 119.500 119.500 119.698 -0.198 25588 4938 1 7 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.931 0.216 25588 4939 1 7 . 1 1 11 11 GLU C C 11 177.900 177.900 179.194 -1.294 25588 4940 1 7 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.147 -2.477 25588 4941 1 7 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.328 -2.828 25588 4942 1 7 . 1 1 11 11 GLU H H 11 7.779 7.779 7.711 0.068 25588 4943 1 7 . 1 1 12 12 PHE N N 12 120.200 120.200 117.866 2.334 25588 4944 1 7 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.319 0.701 25588 4945 1 7 . 1 1 12 12 PHE C C 12 176.100 176.100 177.857 -1.757 25588 4946 1 7 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.295 -4.685 25588 4947 1 7 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.845 -3.565 25588 4948 1 7 . 1 1 12 12 PHE H H 12 8.562 8.562 8.359 0.203 25588 4949 1 7 . 1 1 13 13 LYS N N 13 123.500 123.500 120.013 3.487 25588 4950 1 7 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.077 -0.088 25588 4951 1 7 . 1 1 13 13 LYS C C 13 176.700 176.700 179.073 -2.373 25588 4952 1 7 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.706 -2.186 25588 4953 1 7 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.360 -3.050 25588 4954 1 7 . 1 1 13 13 LYS H H 13 9.161 9.161 7.650 1.511 25588 4955 1 7 . 1 1 14 14 GLU N N 14 120.400 120.400 118.106 2.294 25588 4956 1 7 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.205 -0.080 25588 4957 1 7 . 1 1 14 14 GLU C C 14 176.800 176.800 178.989 -2.189 25588 4958 1 7 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.668 -1.938 25588 4959 1 7 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.461 -2.861 25588 4960 1 7 . 1 1 14 14 GLU H H 14 7.786 7.786 8.309 -0.523 25588 4961 1 7 . 1 1 15 15 ALA N N 15 122.600 122.600 121.528 1.072 25588 4962 1 7 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.973 0.310 25588 4963 1 7 . 1 1 15 15 ALA C C 15 176.400 176.400 179.099 -2.699 25588 4964 1 7 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.550 -1.960 25588 4965 1 7 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.057 -2.517 25588 4966 1 7 . 1 1 15 15 ALA H H 15 7.981 7.981 7.891 0.090 25588 4967 1 7 . 1 1 16 16 PHE N N 16 119.400 119.400 118.506 0.894 25588 4968 1 7 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.491 -1.285 25588 4969 1 7 . 1 1 16 16 PHE C C 16 174.600 174.600 177.294 -2.694 25588 4970 1 7 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.237 -1.877 25588 4971 1 7 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.194 -2.154 25588 4972 1 7 . 1 1 16 16 PHE H H 16 8.796 8.796 7.812 0.984 25588 4973 1 7 . 1 1 17 17 SER N N 17 112.600 112.600 114.376 -1.776 25588 4974 1 7 . 1 1 17 17 SER HA H 17 4.028 4.028 4.155 -0.127 25588 4975 1 7 . 1 1 17 17 SER C C 17 172.400 172.400 175.667 -3.267 25588 4976 1 7 . 1 1 17 17 SER CA C 17 58.820 58.820 60.318 -1.498 25588 4977 1 7 . 1 1 17 17 SER CB C 17 60.680 60.680 63.514 -2.834 25588 4978 1 7 . 1 1 17 17 SER H H 17 7.898 7.898 7.795 0.103 25588 4979 1 7 . 1 1 18 18 LEU N N 18 121.000 121.000 123.826 -2.826 25588 4980 1 7 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.917 0.078 25588 4981 1 7 . 1 1 18 18 LEU C C 18 175.300 175.300 177.605 -2.305 25588 4982 1 7 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.624 -3.134 25588 4983 1 7 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.428 -2.558 25588 4984 1 7 . 1 1 18 18 LEU H H 18 7.426 7.426 7.189 0.237 25588 4985 1 7 . 1 1 19 19 PHE N N 19 115.200 115.200 115.160 0.040 25588 4986 1 7 . 1 1 19 19 PHE C C 19 174.100 174.100 178.002 -3.902 25588 4987 1 7 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.321 -4.681 25588 4988 1 7 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.379 -0.129 25588 4989 1 7 . 1 1 19 19 PHE H H 19 7.309 7.309 7.539 -0.230 25588 4990 1 7 . 1 1 20 20 ASP N N 20 117.700 117.700 118.424 -0.724 25588 4991 1 7 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.527 0.013 25588 4992 1 7 . 1 1 20 20 ASP C C 20 174.500 174.500 178.081 -3.581 25588 4993 1 7 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.477 -4.758 25588 4994 1 7 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.907 -4.707 25588 4995 1 7 . 1 1 20 20 ASP H H 20 7.814 7.814 7.843 -0.029 25588 4996 1 7 . 1 1 21 21 LYS N N 21 124.400 124.400 119.337 5.063 25588 4997 1 7 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.877 0.077 25588 4998 1 7 . 1 1 21 21 LYS C C 21 175.500 175.500 177.658 -2.158 25588 4999 1 7 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.092 -3.202 25588 5000 1 7 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.221 -2.161 25588 5001 1 7 . 1 1 21 21 LYS H H 21 7.652 7.652 7.581 0.071 25588 5002 1 7 . 1 1 22 22 ASP N N 22 113.900 113.900 116.774 -2.874 25588 5003 1 7 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.363 0.222 25588 5004 1 7 . 1 1 22 22 ASP C C 22 175.000 175.000 177.091 -2.091 25588 5005 1 7 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.672 -5.542 25588 5006 1 7 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.992 -4.082 25588 5007 1 7 . 1 1 22 22 ASP H H 22 8.056 8.056 7.752 0.304 25588 5008 1 7 . 1 1 23 23 GLY N N 23 109.200 109.200 109.066 0.134 25588 5009 1 7 . 1 1 23 23 GLY C C 23 172.300 172.300 173.633 -1.333 25588 5010 1 7 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.638 -0.048 25588 5011 1 7 . 1 1 23 23 GLY H H 23 7.660 7.660 7.721 -0.061 25588 5012 1 7 . 1 1 24 24 ASP N N 24 118.600 118.600 118.434 0.166 25588 5013 1 7 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.532 0.085 25588 5014 1 7 . 1 1 24 24 ASP C C 24 174.200 174.200 175.804 -1.604 25588 5015 1 7 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.275 -5.305 25588 5016 1 7 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.012 -5.922 25588 5017 1 7 . 1 1 24 24 ASP H H 24 8.052 8.052 8.391 -0.339 25588 5018 1 7 . 1 1 25 25 GLY N N 25 113.400 113.400 107.705 5.695 25588 5019 1 7 . 1 1 25 25 GLY C C 25 170.600 170.600 173.048 -2.448 25588 5020 1 7 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.925 -1.765 25588 5021 1 7 . 1 1 25 25 GLY H H 25 10.570 10.570 7.983 2.587 25588 5022 1 7 . 1 1 26 26 THR N N 26 109.100 109.100 117.859 -8.759 25588 5023 1 7 . 1 1 26 26 THR HA H 26 5.271 5.271 4.378 0.893 25588 5024 1 7 . 1 1 26 26 THR C C 26 170.200 170.200 172.616 -2.416 25588 5025 1 7 . 1 1 26 26 THR CA C 26 57.170 57.170 61.933 -4.763 25588 5026 1 7 . 1 1 26 26 THR CB C 26 69.920 69.920 72.208 -2.288 25588 5027 1 7 . 1 1 26 26 THR H H 26 7.661 7.661 8.054 -0.393 25588 5028 1 7 . 1 1 27 27 ILE N N 27 127.100 127.100 127.083 0.017 25588 5029 1 7 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.538 0.433 25588 5030 1 7 . 1 1 27 27 ILE C C 27 173.400 173.400 174.903 -1.503 25588 5031 1 7 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.662 -1.842 25588 5032 1 7 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.518 -2.798 25588 5033 1 7 . 1 1 27 27 ILE H H 27 9.766 9.766 8.195 1.571 25588 5034 1 7 . 1 1 28 28 THR N N 28 116.500 116.500 116.219 0.281 25588 5035 1 7 . 1 1 28 28 THR HA H 28 4.802 4.802 5.012 -0.210 25588 5036 1 7 . 1 1 28 28 THR C C 28 173.900 173.900 176.068 -2.168 25588 5037 1 7 . 1 1 28 28 THR CA C 28 56.980 56.980 59.618 -2.638 25588 5038 1 7 . 1 1 28 28 THR CB C 28 69.730 69.730 72.588 -2.858 25588 5039 1 7 . 1 1 28 28 THR H H 28 8.458 8.458 7.627 0.831 25588 5040 1 7 . 1 1 29 29 THR N N 29 112.900 112.900 113.183 -0.283 25588 5041 1 7 . 1 1 29 29 THR HA H 29 4.169 4.169 4.023 0.146 25588 5042 1 7 . 1 1 29 29 THR C C 29 174.500 174.500 176.534 -2.034 25588 5043 1 7 . 1 1 29 29 THR CA C 29 63.940 63.940 66.292 -2.352 25588 5044 1 7 . 1 1 29 29 THR CB C 29 65.170 65.170 68.590 -3.420 25588 5045 1 7 . 1 1 29 29 THR H H 29 9.066 9.066 8.925 0.141 25588 5046 1 7 . 1 1 30 30 LYS N N 30 120.800 120.800 121.739 -0.939 25588 5047 1 7 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.949 0.162 25588 5048 1 7 . 1 1 30 30 LYS C C 30 177.200 177.200 178.671 -1.471 25588 5049 1 7 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.354 -2.824 25588 5050 1 7 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.275 -2.314 25588 5051 1 7 . 1 1 30 30 LYS H H 30 7.664 7.664 7.741 -0.077 25588 5052 1 7 . 1 1 31 31 GLU N N 31 121.400 121.400 119.020 2.380 25588 5053 1 7 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.989 0.076 25588 5054 1 7 . 1 1 31 31 GLU C C 31 176.500 176.500 179.342 -2.842 25588 5055 1 7 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.065 -2.485 25588 5056 1 7 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.765 -2.605 25588 5057 1 7 . 1 1 31 31 GLU H H 31 7.635 7.635 7.510 0.125 25588 5058 1 7 . 1 1 32 32 LEU N N 32 120.600 120.600 120.969 -0.369 25588 5059 1 7 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.334 -0.252 25588 5060 1 7 . 1 1 32 32 LEU C C 32 176.300 176.300 178.858 -2.558 25588 5061 1 7 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.380 -1.970 25588 5062 1 7 . 1 1 32 32 LEU CB C 32 39.970 39.970 42.009 -2.039 25588 5063 1 7 . 1 1 32 32 LEU H H 32 8.699 8.699 7.813 0.886 25588 5064 1 7 . 1 1 33 33 GLY N N 33 105.600 105.600 104.307 1.293 25588 5065 1 7 . 1 1 33 33 GLY C C 33 172.500 172.500 176.076 -3.576 25588 5066 1 7 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.519 -1.799 25588 5067 1 7 . 1 1 33 33 GLY H H 33 8.616 8.616 8.834 -0.218 25588 5068 1 7 . 1 1 34 34 THR N N 34 118.000 118.000 119.434 -1.434 25588 5069 1 7 . 1 1 34 34 THR HA H 34 3.913 3.913 3.965 -0.052 25588 5070 1 7 . 1 1 34 34 THR C C 34 174.500 174.500 176.372 -1.872 25588 5071 1 7 . 1 1 34 34 THR CA C 34 64.250 64.250 66.522 -2.272 25588 5072 1 7 . 1 1 34 34 THR CB C 34 66.100 66.100 68.628 -2.528 25588 5073 1 7 . 1 1 34 34 THR H H 34 7.867 7.867 7.458 0.409 25588 5074 1 7 . 1 1 35 35 VAL N N 35 122.100 122.100 121.375 0.725 25588 5075 1 7 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.623 -0.165 25588 5076 1 7 . 1 1 35 35 VAL C C 35 176.500 176.500 177.014 -0.514 25588 5077 1 7 . 1 1 35 35 VAL CA C 35 63.630 63.630 66.022 -2.392 25588 5078 1 7 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.160 -3.040 25588 5079 1 7 . 1 1 35 35 VAL H H 35 7.613 7.613 8.064 -0.451 25588 5080 1 7 . 1 1 36 36 MET N N 36 118.400 118.400 117.192 1.208 25588 5081 1 7 . 1 1 36 36 MET HA H 36 4.095 4.095 4.055 0.040 25588 5082 1 7 . 1 1 36 36 MET C C 36 176.500 176.500 177.799 -1.299 25588 5083 1 7 . 1 1 36 36 MET CA C 36 56.420 56.420 57.664 -1.244 25588 5084 1 7 . 1 1 36 36 MET H H 36 8.440 8.440 7.436 1.004 25588 5085 1 7 . 1 1 37 37 ARG N N 37 119.000 119.000 117.757 1.243 25588 5086 1 7 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.054 0.747 25588 5087 1 7 . 1 1 37 37 ARG C C 37 178.500 178.500 179.383 -0.883 25588 5088 1 7 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.190 -2.770 25588 5089 1 7 . 1 1 37 37 ARG H H 37 8.474 8.474 8.019 0.455 25588 5090 1 7 . 1 1 38 38 SER N N 38 118.800 118.800 116.037 2.763 25588 5091 1 7 . 1 1 38 38 SER HA H 38 4.380 4.380 4.199 0.181 25588 5092 1 7 . 1 1 38 38 SER C C 38 172.200 172.200 176.092 -3.892 25588 5093 1 7 . 1 1 38 38 SER CA C 38 58.930 58.930 61.120 -2.190 25588 5094 1 7 . 1 1 38 38 SER CB C 38 60.200 60.200 62.937 -2.737 25588 5095 1 7 . 1 1 38 38 SER H H 38 7.899 7.899 7.920 -0.021 25588 5096 1 7 . 1 1 39 39 LEU N N 39 120.600 120.600 118.136 2.464 25588 5097 1 7 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.571 -0.076 25588 5098 1 7 . 1 1 39 39 LEU C C 39 174.800 174.800 177.761 -2.961 25588 5099 1 7 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.929 -1.999 25588 5100 1 7 . 1 1 39 39 LEU H H 39 7.364 7.364 7.442 -0.078 25588 5101 1 7 . 1 1 40 40 GLY N N 40 106.800 106.800 109.297 -2.497 25588 5102 1 7 . 1 1 40 40 GLY C C 40 171.700 171.700 174.321 -2.621 25588 5103 1 7 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.566 -3.596 25588 5104 1 7 . 1 1 40 40 GLY H H 40 7.862 7.862 8.094 -0.232 25588 5105 1 7 . 1 1 41 41 GLN N N 41 118.400 118.400 122.762 -4.362 25588 5106 1 7 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.454 0.026 25588 5107 1 7 . 1 1 41 41 GLN C C 41 171.400 171.400 173.363 -1.963 25588 5108 1 7 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.323 -3.433 25588 5109 1 7 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.516 -3.436 25588 5110 1 7 . 1 1 41 41 GLN H H 41 7.788 7.788 8.583 -0.795 25588 5111 1 7 . 1 1 42 42 ASN N N 42 116.300 116.300 122.682 -6.382 25588 5112 1 7 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.357 -0.164 25588 5113 1 7 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.547 -0.927 25588 5114 1 7 . 1 1 42 42 ASN H H 42 8.665 8.665 8.347 0.318 25588 5115 1 7 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.058 0.677 25588 5116 1 7 . 1 1 43 43 PRO C C 43 175.100 175.100 178.595 -3.495 25588 5117 1 7 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.843 -6.063 25588 5118 1 7 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.652 -2.262 25588 5119 1 7 . 1 1 44 44 THR N N 44 112.900 112.900 113.073 -0.173 25588 5120 1 7 . 1 1 44 44 THR HA H 44 4.707 4.707 3.960 0.747 25588 5121 1 7 . 1 1 44 44 THR C C 44 172.600 172.600 176.821 -4.221 25588 5122 1 7 . 1 1 44 44 THR CA C 44 57.830 57.830 66.639 -8.809 25588 5123 1 7 . 1 1 44 44 THR CB C 44 68.490 68.490 68.338 0.152 25588 5124 1 7 . 1 1 44 44 THR H H 44 8.702 8.702 7.928 0.774 25588 5125 1 7 . 1 1 45 45 GLU N N 45 120.800 120.800 120.184 0.616 25588 5126 1 7 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.295 -0.320 25588 5127 1 7 . 1 1 45 45 GLU C C 45 176.300 176.300 178.408 -2.108 25588 5128 1 7 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.283 -0.823 25588 5129 1 7 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.573 -3.153 25588 5130 1 7 . 1 1 45 45 GLU H H 45 8.789 8.789 8.575 0.214 25588 5131 1 7 . 1 1 46 46 ALA N N 46 120.700 120.700 123.926 -3.226 25588 5132 1 7 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.018 0.071 25588 5133 1 7 . 1 1 46 46 ALA C C 46 177.700 177.700 179.530 -1.830 25588 5134 1 7 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.369 -2.959 25588 5135 1 7 . 1 1 46 46 ALA CB C 46 15.650 15.650 18.026 -2.376 25588 5136 1 7 . 1 1 46 46 ALA H H 46 8.241 8.241 8.224 0.017 25588 5137 1 7 . 1 1 47 47 GLU N N 47 118.900 118.900 118.085 0.815 25588 5138 1 7 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.148 -0.146 25588 5139 1 7 . 1 1 47 47 GLU C C 47 177.500 177.500 179.340 -1.840 25588 5140 1 7 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.726 -2.316 25588 5141 1 7 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.670 -2.610 25588 5142 1 7 . 1 1 47 47 GLU H H 47 7.682 7.682 7.927 -0.245 25588 5143 1 7 . 1 1 48 48 LEU N N 48 120.600 120.600 119.946 0.654 25588 5144 1 7 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.011 0.050 25588 5145 1 7 . 1 1 48 48 LEU C C 48 175.900 175.900 178.650 -2.750 25588 5146 1 7 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.097 -1.827 25588 5147 1 7 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.404 -1.664 25588 5148 1 7 . 1 1 48 48 LEU H H 48 8.169 8.169 7.475 0.694 25588 5149 1 7 . 1 1 49 49 GLN N N 49 118.200 118.200 119.904 -1.704 25588 5150 1 7 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.844 -0.017 25588 5151 1 7 . 1 1 49 49 GLN C C 49 175.900 175.900 178.046 -2.146 25588 5152 1 7 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.221 -3.251 25588 5153 1 7 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.863 -2.343 25588 5154 1 7 . 1 1 49 49 GLN H H 49 8.179 8.179 8.198 -0.019 25588 5155 1 7 . 1 1 50 50 ASP N N 50 119.900 119.900 118.770 1.130 25588 5156 1 7 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.446 -0.063 25588 5157 1 7 . 1 1 50 50 ASP C C 50 175.900 175.900 178.212 -2.312 25588 5158 1 7 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.865 -1.915 25588 5159 1 7 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.824 -3.034 25588 5160 1 7 . 1 1 50 50 ASP H H 50 8.037 8.037 7.630 0.407 25588 5161 1 7 . 1 1 51 51 MET N N 51 119.300 119.300 120.712 -1.412 25588 5162 1 7 . 1 1 51 51 MET HA H 51 4.028 4.028 4.095 -0.067 25588 5163 1 7 . 1 1 51 51 MET C C 51 176.200 176.200 178.164 -1.964 25588 5164 1 7 . 1 1 51 51 MET CA C 51 56.710 56.710 59.172 -2.462 25588 5165 1 7 . 1 1 51 51 MET CB C 51 30.570 30.570 32.731 -2.161 25588 5166 1 7 . 1 1 51 51 MET H H 51 7.855 7.855 7.321 0.534 25588 5167 1 7 . 1 1 52 52 ILE N N 52 118.200 118.200 119.397 -1.197 25588 5168 1 7 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.506 -0.017 25588 5169 1 7 . 1 1 52 52 ILE C C 52 175.100 175.100 177.875 -2.775 25588 5170 1 7 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.789 -3.569 25588 5171 1 7 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.753 1.577 25588 5172 1 7 . 1 1 52 52 ILE H H 52 7.701 7.701 8.859 -1.158 25588 5173 1 7 . 1 1 53 53 ASN N N 53 117.700 117.700 117.770 -0.070 25588 5174 1 7 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.353 0.008 25588 5175 1 7 . 1 1 53 53 ASN C C 53 174.800 174.800 177.477 -2.677 25588 5176 1 7 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.612 -3.322 25588 5177 1 7 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.266 -2.826 25588 5178 1 7 . 1 1 53 53 ASN H H 53 8.529 8.529 7.868 0.661 25588 5179 1 7 . 1 1 54 54 GLU N N 54 116.400 116.400 120.819 -4.419 25588 5180 1 7 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.056 -0.035 25588 5181 1 7 . 1 1 54 54 GLU C C 54 175.000 175.000 178.370 -3.370 25588 5182 1 7 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.325 -3.085 25588 5183 1 7 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.806 -1.976 25588 5184 1 7 . 1 1 54 54 GLU H H 54 7.573 7.573 7.909 -0.336 25588 5185 1 7 . 1 1 55 55 VAL N N 55 108.400 108.400 118.589 -10.189 25588 5186 1 7 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.882 0.564 25588 5187 1 7 . 1 1 55 55 VAL C C 55 173.100 173.100 177.513 -4.413 25588 5188 1 7 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.176 -7.086 25588 5189 1 7 . 1 1 55 55 VAL H H 55 7.204 7.204 7.736 -0.532 25588 5190 1 7 . 1 1 56 56 ASP N N 56 126.900 126.900 119.455 7.445 25588 5191 1 7 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.537 0.101 25588 5192 1 7 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.923 -3.873 25588 5193 1 7 . 1 1 56 56 ASP CB C 56 37.480 37.480 41.001 -3.521 25588 5194 1 7 . 1 1 56 56 ASP H H 56 7.649 7.649 8.133 -0.484 25588 5195 1 7 . 1 1 57 57 ALA N N 57 131.900 131.900 121.313 10.587 25588 5196 1 7 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.207 -0.025 25588 5197 1 7 . 1 1 57 57 ALA C C 57 176.000 176.000 177.648 -1.648 25588 5198 1 7 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.248 -1.558 25588 5199 1 7 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.071 -1.171 25588 5200 1 7 . 1 1 57 57 ALA H H 57 8.458 8.458 7.904 0.554 25588 5201 1 7 . 1 1 58 58 ASP N N 58 113.800 113.800 118.106 -4.306 25588 5202 1 7 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.426 0.185 25588 5203 1 7 . 1 1 58 58 ASP C C 58 175.200 175.200 176.934 -1.734 25588 5204 1 7 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.228 -5.188 25588 5205 1 7 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.617 -3.417 25588 5206 1 7 . 1 1 58 58 ASP H H 58 8.125 8.125 7.740 0.385 25588 5207 1 7 . 1 1 59 59 GLY N N 59 108.400 108.400 106.618 1.782 25588 5208 1 7 . 1 1 59 59 GLY C C 59 172.500 172.500 173.313 -0.813 25588 5209 1 7 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.253 -0.593 25588 5210 1 7 . 1 1 59 59 GLY H H 59 7.550 7.550 7.810 -0.260 25588 5211 1 7 . 1 1 60 60 ASN N N 60 120.600 120.600 117.028 3.572 25588 5212 1 7 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.732 -0.245 25588 5213 1 7 . 1 1 60 60 ASN C C 60 174.800 174.800 174.795 0.005 25588 5214 1 7 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.685 -1.505 25588 5215 1 7 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.548 -1.708 25588 5216 1 7 . 1 1 60 60 ASN H H 60 8.356 8.356 8.159 0.197 25588 5217 1 7 . 1 1 61 61 GLY N N 61 113.300 113.300 107.031 6.269 25588 5218 1 7 . 1 1 61 61 GLY C C 61 171.100 171.100 173.790 -2.690 25588 5219 1 7 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.682 -2.852 25588 5220 1 7 . 1 1 61 61 GLY H H 61 10.610 10.610 8.736 1.874 25588 5221 1 7 . 1 1 62 62 THR N N 62 112.900 112.900 112.270 0.630 25588 5222 1 7 . 1 1 62 62 THR HA H 62 4.756 4.756 5.219 -0.463 25588 5223 1 7 . 1 1 62 62 THR C C 62 170.500 170.500 173.437 -2.937 25588 5224 1 7 . 1 1 62 62 THR CA C 62 57.050 57.050 59.578 -2.527 25588 5225 1 7 . 1 1 62 62 THR CB C 62 69.100 69.100 72.078 -2.978 25588 5226 1 7 . 1 1 62 62 THR H H 62 8.111 8.111 7.682 0.429 25588 5227 1 7 . 1 1 63 63 ILE N N 63 123.900 123.900 124.779 -0.879 25588 5228 1 7 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.292 0.860 25588 5229 1 7 . 1 1 63 63 ILE C C 63 172.900 172.900 174.818 -1.918 25588 5230 1 7 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.354 -2.994 25588 5231 1 7 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.397 -4.537 25588 5232 1 7 . 1 1 63 63 ILE H H 63 8.905 8.905 8.868 0.037 25588 5233 1 7 . 1 1 64 64 ASP N N 64 128.200 128.200 126.973 1.227 25588 5234 1 7 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.616 0.726 25588 5235 1 7 . 1 1 64 64 ASP C C 64 173.700 173.700 177.184 -3.484 25588 5236 1 7 . 1 1 64 64 ASP CA C 64 49.470 49.470 55.238 -5.768 25588 5237 1 7 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.398 -1.748 25588 5238 1 7 . 1 1 64 64 ASP H H 64 8.778 8.778 8.683 0.095 25588 5239 1 7 . 1 1 65 65 PHE N N 65 118.700 118.700 119.888 -1.188 25588 5240 1 7 . 1 1 65 65 PHE CA C 65 61.020 61.020 62.994 -1.974 25588 5241 1 7 . 1 1 65 65 PHE H H 65 8.903 8.903 8.944 -0.041 25588 5242 1 7 . 1 1 66 66 PRO C C 66 177.400 177.400 178.902 -1.502 25588 5243 1 7 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.480 -2.520 25588 5244 1 7 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.361 -3.301 25588 5245 1 7 . 1 1 67 67 GLU N N 67 117.600 117.600 117.609 -0.009 25588 5246 1 7 . 1 1 67 67 GLU C C 67 176.100 176.100 178.887 -2.787 25588 5247 1 7 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.393 -3.323 25588 5248 1 7 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.244 -2.494 25588 5249 1 7 . 1 1 67 67 GLU H H 67 7.894 7.894 8.741 -0.847 25588 5250 1 7 . 1 1 68 68 PHE N N 68 123.500 123.500 121.968 1.532 25588 5251 1 7 . 1 1 68 68 PHE C C 68 174.400 174.400 177.029 -2.629 25588 5252 1 7 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.704 -3.094 25588 5253 1 7 . 1 1 68 68 PHE CB C 68 37.520 37.520 39.029 -1.509 25588 5254 1 7 . 1 1 68 68 PHE H H 68 8.826 8.826 7.771 1.055 25588 5255 1 7 . 1 1 69 69 LEU N N 69 119.000 119.000 118.822 0.178 25588 5256 1 7 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.889 -0.554 25588 5257 1 7 . 1 1 69 69 LEU C C 69 176.600 176.600 178.974 -2.374 25588 5258 1 7 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.333 -2.983 25588 5259 1 7 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.648 -3.468 25588 5260 1 7 . 1 1 69 69 LEU H H 69 8.321 8.321 8.545 -0.224 25588 5261 1 7 . 1 1 70 70 THR N N 70 115.500 115.500 115.272 0.228 25588 5262 1 7 . 1 1 70 70 THR HA H 70 4.317 4.317 3.927 0.390 25588 5263 1 7 . 1 1 70 70 THR C C 70 173.400 173.400 176.348 -2.948 25588 5264 1 7 . 1 1 70 70 THR CA C 70 63.720 63.720 66.848 -3.128 25588 5265 1 7 . 1 1 70 70 THR CB C 70 65.630 65.630 68.651 -3.021 25588 5266 1 7 . 1 1 70 70 THR H H 70 7.476 7.476 7.734 -0.258 25588 5267 1 7 . 1 1 71 71 MET N N 71 121.700 121.700 121.506 0.194 25588 5268 1 7 . 1 1 71 71 MET HA H 71 3.758 3.758 3.983 -0.225 25588 5269 1 7 . 1 1 71 71 MET C C 71 175.600 175.600 177.723 -2.123 25588 5270 1 7 . 1 1 71 71 MET CA C 71 56.370 56.370 59.213 -2.843 25588 5271 1 7 . 1 1 71 71 MET CB C 71 30.590 30.590 32.621 -2.031 25588 5272 1 7 . 1 1 71 71 MET H H 71 7.774 7.774 8.519 -0.745 25588 5273 1 7 . 1 1 72 72 MET N N 72 116.900 116.900 117.164 -0.264 25588 5274 1 7 . 1 1 72 72 MET HA H 72 3.993 3.993 3.982 0.011 25588 5275 1 7 . 1 1 72 72 MET C C 72 175.900 175.900 178.287 -2.387 25588 5276 1 7 . 1 1 72 72 MET CA C 72 53.200 53.200 57.275 -4.074 25588 5277 1 7 . 1 1 72 72 MET CB C 72 28.520 28.520 30.954 -2.434 25588 5278 1 7 . 1 1 72 72 MET H H 72 8.082 8.082 8.173 -0.091 25588 5279 1 7 . 1 1 73 73 ALA N N 73 122.300 122.300 122.303 -0.003 25588 5280 1 7 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.919 0.155 25588 5281 1 7 . 1 1 73 73 ALA C C 73 177.200 177.200 179.040 -1.840 25588 5282 1 7 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.012 -3.042 25588 5283 1 7 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.331 -2.591 25588 5284 1 7 . 1 1 73 73 ALA H H 73 8.149 8.149 7.800 0.349 25588 5285 1 7 . 1 1 74 74 ARG N N 74 116.600 116.600 116.621 -0.021 25588 5286 1 7 . 1 1 74 74 ARG C C 74 175.200 175.200 178.378 -3.178 25588 5287 1 7 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.691 -3.131 25588 5288 1 7 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.335 -2.685 25588 5289 1 7 . 1 1 74 74 ARG H H 74 7.564 7.564 7.623 -0.059 25588 5290 1 7 . 1 1 75 75 LYS N N 75 118.800 118.800 117.227 1.573 25588 5291 1 7 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.140 0.055 25588 5292 1 7 . 1 1 75 75 LYS C C 75 175.100 175.100 177.700 -2.600 25588 5293 1 7 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.567 -2.837 25588 5294 1 7 . 1 1 75 75 LYS H H 75 7.668 7.668 7.878 -0.210 25588 5295 1 7 . 1 1 76 76 MET N N 76 118.300 118.300 117.702 0.598 25588 5296 1 7 . 1 1 76 76 MET HA H 76 4.331 4.331 4.482 -0.151 25588 5297 1 7 . 1 1 76 76 MET C C 76 173.900 173.900 175.228 -1.328 25588 5298 1 7 . 1 1 76 76 MET CA C 76 54.010 54.010 53.401 0.609 25588 5299 1 7 . 1 1 76 76 MET H H 76 7.861 7.861 7.969 -0.108 25588 5300 1 7 . 1 1 77 77 LYS N N 77 120.200 120.200 124.952 -4.752 25588 5301 1 7 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.378 -0.080 25588 5302 1 7 . 1 1 77 77 LYS C C 77 173.800 173.800 176.767 -2.967 25588 5303 1 7 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.769 -1.699 25588 5304 1 7 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.795 -3.425 25588 5305 1 7 . 1 1 77 77 LYS H H 77 7.797 7.797 8.435 -0.638 25588 5306 1 7 . 1 1 78 78 ASP N N 78 121.400 121.400 124.649 -3.249 25588 5307 1 7 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.397 0.276 25588 5308 1 7 . 1 1 78 78 ASP C C 78 173.900 173.900 177.794 -3.894 25588 5309 1 7 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.969 -3.069 25588 5310 1 7 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.429 -2.919 25588 5311 1 7 . 1 1 78 78 ASP H H 78 8.191 8.191 8.606 -0.415 25588 5312 1 7 . 1 1 79 79 THR N N 79 114.600 114.600 110.943 3.657 25588 5313 1 7 . 1 1 79 79 THR HA H 79 4.263 4.263 4.080 0.183 25588 5314 1 7 . 1 1 79 79 THR C C 79 171.900 171.900 175.936 -4.036 25588 5315 1 7 . 1 1 79 79 THR CA C 79 59.510 59.510 65.505 -5.995 25588 5316 1 7 . 1 1 79 79 THR CB C 79 67.090 67.090 68.765 -1.675 25588 5317 1 7 . 1 1 79 79 THR H H 79 8.063 8.063 8.419 -0.356 25588 5318 1 7 . 1 1 80 80 ASP N N 80 123.100 123.100 122.531 0.569 25588 5319 1 7 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.485 0.227 25588 5320 1 7 . 1 1 80 80 ASP C C 80 173.900 173.900 178.040 -4.140 25588 5321 1 7 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.808 -4.908 25588 5322 1 7 . 1 1 80 80 ASP CB C 80 38.670 38.670 40.023 -1.353 25588 5323 1 7 . 1 1 80 80 ASP H H 80 8.423 8.423 8.660 -0.237 25588 5324 1 7 . 1 1 81 81 SER N N 81 116.900 116.900 116.402 0.498 25588 5325 1 7 . 1 1 81 81 SER HA H 81 4.498 4.498 4.102 0.396 25588 5326 1 7 . 1 1 81 81 SER C C 81 172.700 172.700 175.785 -3.085 25588 5327 1 7 . 1 1 81 81 SER CA C 81 56.360 56.360 60.650 -4.290 25588 5328 1 7 . 1 1 81 81 SER CB C 81 61.310 61.310 63.044 -1.734 25588 5329 1 7 . 1 1 81 81 SER H H 81 8.357 8.357 7.607 0.750 25588 5330 1 7 . 1 1 82 82 GLU N N 82 122.800 122.800 122.759 0.041 25588 5331 1 7 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.847 0.281 25588 5332 1 7 . 1 1 82 82 GLU C C 82 175.300 175.300 178.904 -3.604 25588 5333 1 7 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.852 -3.582 25588 5334 1 7 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.491 -2.741 25588 5335 1 7 . 1 1 82 82 GLU H H 82 8.532 8.532 7.838 0.694 25588 5336 1 7 . 1 1 83 83 GLU N N 83 119.400 119.400 117.326 2.074 25588 5337 1 7 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.155 -0.121 25588 5338 1 7 . 1 1 83 83 GLU C C 83 176.000 176.000 178.917 -2.917 25588 5339 1 7 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.978 -1.908 25588 5340 1 7 . 1 1 83 83 GLU H H 83 8.365 8.365 7.686 0.679 25588 5341 1 7 . 1 1 84 84 GLU N N 84 118.700 118.700 119.423 -0.723 25588 5342 1 7 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.132 0.015 25588 5343 1 7 . 1 1 84 84 GLU C C 84 177.000 177.000 179.403 -2.403 25588 5344 1 7 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.650 -1.980 25588 5345 1 7 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.582 -2.783 25588 5346 1 7 . 1 1 84 84 GLU H H 84 8.073 8.073 7.665 0.408 25588 5347 1 7 . 1 1 85 85 ILE N N 85 122.200 122.200 118.823 3.377 25588 5348 1 7 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.777 0.217 25588 5349 1 7 . 1 1 85 85 ILE C C 85 175.300 175.300 177.466 -2.166 25588 5350 1 7 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.240 -2.110 25588 5351 1 7 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.544 -3.044 25588 5352 1 7 . 1 1 85 85 ILE H H 85 8.043 8.043 8.967 -0.924 25588 5353 1 7 . 1 1 86 86 ARG N N 86 121.700 121.700 119.796 1.904 25588 5354 1 7 . 1 1 86 86 ARG C C 86 176.700 176.700 178.701 -2.001 25588 5355 1 7 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.470 -2.110 25588 5356 1 7 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.377 -2.326 25588 5357 1 7 . 1 1 86 86 ARG H H 86 8.415 8.415 8.247 0.168 25588 5358 1 7 . 1 1 87 87 GLU N N 87 118.600 118.600 119.683 -1.083 25588 5359 1 7 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.134 -0.025 25588 5360 1 7 . 1 1 87 87 GLU C C 87 175.900 175.900 177.869 -1.969 25588 5361 1 7 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.941 -2.511 25588 5362 1 7 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.230 -2.680 25588 5363 1 7 . 1 1 87 87 GLU H H 87 8.056 8.056 7.821 0.235 25588 5364 1 7 . 1 1 88 88 ALA N N 88 122.000 122.000 121.009 0.991 25588 5365 1 7 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.157 0.061 25588 5366 1 7 . 1 1 88 88 ALA C C 88 176.600 176.600 179.238 -2.638 25588 5367 1 7 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.404 -1.954 25588 5368 1 7 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.000 -2.700 25588 5369 1 7 . 1 1 88 88 ALA H H 88 7.934 7.934 7.536 0.398 25588 5370 1 7 . 1 1 89 89 PHE N N 89 118.900 118.900 120.493 -1.593 25588 5371 1 7 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.232 -1.081 25588 5372 1 7 . 1 1 89 89 PHE C C 89 173.800 173.800 177.141 -3.341 25588 5373 1 7 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.504 -2.004 25588 5374 1 7 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.982 -2.612 25588 5375 1 7 . 1 1 89 89 PHE H H 89 8.537 8.537 7.867 0.670 25588 5376 1 7 . 1 1 90 90 ARG N N 90 115.600 115.600 119.158 -3.558 25588 5377 1 7 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.834 0.030 25588 5378 1 7 . 1 1 90 90 ARG C C 90 175.500 175.500 178.209 -2.709 25588 5379 1 7 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.134 -3.024 25588 5380 1 7 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.115 -2.465 25588 5381 1 7 . 1 1 90 90 ARG H H 90 7.656 7.656 7.640 0.016 25588 5382 1 7 . 1 1 91 91 VAL N N 91 118.300 118.300 118.636 -0.336 25588 5383 1 7 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.676 -0.189 25588 5384 1 7 . 1 1 91 91 VAL C C 91 174.700 174.700 177.937 -3.237 25588 5385 1 7 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.263 -3.253 25588 5386 1 7 . 1 1 91 91 VAL H H 91 7.496 7.496 7.362 0.134 25588 5387 1 7 . 1 1 92 92 PHE N N 92 116.300 116.300 118.434 -2.134 25588 5388 1 7 . 1 1 92 92 PHE C C 92 174.300 174.300 176.043 -1.743 25588 5389 1 7 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.391 -2.981 25588 5390 1 7 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.851 -2.231 25588 5391 1 7 . 1 1 92 92 PHE H H 92 7.460 7.460 8.243 -0.783 25588 5392 1 7 . 1 1 93 93 ASP N N 93 116.900 116.900 117.025 -0.125 25588 5393 1 7 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.713 -0.209 25588 5394 1 7 . 1 1 93 93 ASP C C 93 174.900 174.900 175.665 -0.765 25588 5395 1 7 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.667 -3.127 25588 5396 1 7 . 1 1 93 93 ASP H H 93 7.821 7.821 8.035 -0.214 25588 5397 1 7 . 1 1 94 94 LYS N N 94 125.900 125.900 124.267 1.633 25588 5398 1 7 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.084 -0.196 25588 5399 1 7 . 1 1 94 94 LYS C C 94 175.700 175.700 177.373 -1.673 25588 5400 1 7 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.610 -2.200 25588 5401 1 7 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.543 -2.373 25588 5402 1 7 . 1 1 94 94 LYS H H 94 7.689 7.689 8.480 -0.791 25588 5403 1 7 . 1 1 95 95 ASP N N 95 114.000 114.000 115.676 -1.676 25588 5404 1 7 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.378 0.176 25588 5405 1 7 . 1 1 95 95 ASP C C 95 175.100 175.100 177.973 -2.873 25588 5406 1 7 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.103 -4.783 25588 5407 1 7 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.784 -3.794 25588 5408 1 7 . 1 1 95 95 ASP H H 95 8.179 8.179 8.154 0.025 25588 5409 1 7 . 1 1 96 96 GLY N N 96 109.300 109.300 110.120 -0.820 25588 5410 1 7 . 1 1 96 96 GLY C C 96 172.500 172.500 175.443 -2.943 25588 5411 1 7 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.874 -2.374 25588 5412 1 7 . 1 1 96 96 GLY H H 96 7.765 7.765 8.052 -0.287 25588 5413 1 7 . 1 1 97 97 ASN N N 97 119.600 119.600 123.135 -3.535 25588 5414 1 7 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.457 0.187 25588 5415 1 7 . 1 1 97 97 ASN C C 97 173.400 173.400 175.177 -1.777 25588 5416 1 7 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.549 -4.479 25588 5417 1 7 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.863 -3.343 25588 5418 1 7 . 1 1 97 97 ASN H H 97 8.302 8.302 8.594 -0.292 25588 5419 1 7 . 1 1 98 98 GLY N N 98 113.000 113.000 105.547 7.453 25588 5420 1 7 . 1 1 98 98 GLY C C 98 169.800 169.800 172.287 -2.487 25588 5421 1 7 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.816 -1.306 25588 5422 1 7 . 1 1 98 98 GLY H H 98 10.620 10.620 7.436 3.184 25588 5423 1 7 . 1 1 99 99 TYR N N 99 115.900 115.900 117.873 -1.973 25588 5424 1 7 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.698 0.338 25588 5425 1 7 . 1 1 99 99 TYR C C 99 171.900 171.900 175.841 -3.941 25588 5426 1 7 . 1 1 99 99 TYR CA C 99 53.390 53.390 57.199 -3.809 25588 5427 1 7 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.451 -0.921 25588 5428 1 7 . 1 1 99 99 TYR H H 99 7.597 7.597 8.010 -0.413 25588 5429 1 7 . 1 1 100 100 ILE N N 100 127.400 127.400 123.721 3.679 25588 5430 1 7 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.429 0.350 25588 5431 1 7 . 1 1 100 100 ILE C C 100 172.900 172.900 176.039 -3.139 25588 5432 1 7 . 1 1 100 100 ILE CA C 100 57.660 57.660 60.851 -3.191 25588 5433 1 7 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.794 -2.845 25588 5434 1 7 . 1 1 100 100 ILE H H 100 10.120 10.120 8.327 1.793 25588 5435 1 7 . 1 1 101 101 SER N N 101 123.800 123.800 123.039 0.761 25588 5436 1 7 . 1 1 101 101 SER C C 101 172.600 172.600 175.749 -3.149 25588 5437 1 7 . 1 1 101 101 SER CA C 101 53.180 53.180 56.845 -3.665 25588 5438 1 7 . 1 1 101 101 SER CB C 101 63.970 63.970 65.043 -1.073 25588 5439 1 7 . 1 1 101 101 SER H H 101 8.944 8.944 8.523 0.421 25588 5440 1 7 . 1 1 102 102 ALA N N 102 122.900 122.900 123.915 -1.015 25588 5441 1 7 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.020 -0.106 25588 5442 1 7 . 1 1 102 102 ALA C C 102 176.700 176.700 178.938 -2.238 25588 5443 1 7 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.409 -2.109 25588 5444 1 7 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.345 -2.895 25588 5445 1 7 . 1 1 102 102 ALA H H 102 9.178 9.178 9.008 0.170 25588 5446 1 7 . 1 1 103 103 ALA N N 103 118.400 118.400 120.554 -2.154 25588 5447 1 7 . 1 1 103 103 ALA C C 103 178.700 178.700 179.696 -0.996 25588 5448 1 7 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.086 -2.536 25588 5449 1 7 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.319 -2.438 25588 5450 1 7 . 1 1 103 103 ALA H H 103 8.205 8.205 8.344 -0.139 25588 5451 1 7 . 1 1 104 104 GLU N N 104 119.700 119.700 118.499 1.201 25588 5452 1 7 . 1 1 104 104 GLU C C 104 176.600 176.600 179.000 -2.400 25588 5453 1 7 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.857 -2.217 25588 5454 1 7 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.636 -2.996 25588 5455 1 7 . 1 1 104 104 GLU H H 104 7.835 7.835 7.644 0.191 25588 5456 1 7 . 1 1 105 105 LEU N N 105 121.000 121.000 121.239 -0.239 25588 5457 1 7 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.084 0.015 25588 5458 1 7 . 1 1 105 105 LEU C C 105 175.800 175.800 178.108 -2.308 25588 5459 1 7 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.655 -1.995 25588 5460 1 7 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.970 -7.410 25588 5461 1 7 . 1 1 105 105 LEU H H 105 8.571 8.571 8.295 0.276 25588 5462 1 7 . 1 1 106 106 ARG N N 106 117.500 117.500 118.906 -1.406 25588 5463 1 7 . 1 1 106 106 ARG C C 106 176.000 176.000 177.934 -1.934 25588 5464 1 7 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.505 -3.275 25588 5465 1 7 . 1 1 106 106 ARG H H 106 8.522 8.522 8.396 0.126 25588 5466 1 7 . 1 1 107 107 HIS N N 107 119.000 119.000 117.255 1.745 25588 5467 1 7 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.338 -0.052 25588 5468 1 7 . 1 1 107 107 HIS C C 107 174.900 174.900 177.506 -2.606 25588 5469 1 7 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.607 -2.517 25588 5470 1 7 . 1 1 107 107 HIS H H 107 7.889 7.889 7.913 -0.024 25588 5471 1 7 . 1 1 108 108 VAL N N 108 118.900 118.900 120.170 -1.270 25588 5472 1 7 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.701 -0.216 25588 5473 1 7 . 1 1 108 108 VAL C C 108 175.400 175.400 178.150 -2.750 25588 5474 1 7 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.742 -3.222 25588 5475 1 7 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.472 -2.272 25588 5476 1 7 . 1 1 108 108 VAL H H 108 7.958 7.958 7.536 0.422 25588 5477 1 7 . 1 1 109 109 MET N N 109 116.400 116.400 117.990 -1.590 25588 5478 1 7 . 1 1 109 109 MET HA H 109 4.331 4.331 4.231 0.100 25588 5479 1 7 . 1 1 109 109 MET C C 109 176.000 176.000 178.723 -2.723 25588 5480 1 7 . 1 1 109 109 MET CA C 109 54.910 54.910 57.873 -2.963 25588 5481 1 7 . 1 1 109 109 MET CB C 109 28.750 28.750 31.380 -2.630 25588 5482 1 7 . 1 1 109 109 MET H H 109 8.247 8.247 8.456 -0.209 25588 5483 1 7 . 1 1 110 110 THR N N 110 114.900 114.900 115.247 -0.347 25588 5484 1 7 . 1 1 110 110 THR HA H 110 4.152 4.152 4.065 0.087 25588 5485 1 7 . 1 1 110 110 THR C C 110 175.000 175.000 175.752 -0.752 25588 5486 1 7 . 1 1 110 110 THR CA C 110 63.270 63.270 66.127 -2.857 25588 5487 1 7 . 1 1 110 110 THR CB C 110 66.230 66.230 68.223 -1.993 25588 5488 1 7 . 1 1 110 110 THR H H 110 8.125 8.125 8.014 0.111 25588 5489 1 7 . 1 1 111 111 ASN N N 111 122.200 122.200 118.217 3.983 25588 5490 1 7 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.450 -0.013 25588 5491 1 7 . 1 1 111 111 ASN C C 111 173.700 173.700 177.530 -3.830 25588 5492 1 7 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.441 -2.371 25588 5493 1 7 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.870 -3.050 25588 5494 1 7 . 1 1 111 111 ASN H H 111 7.867 7.867 7.659 0.208 25588 5495 1 7 . 1 1 112 112 LEU N N 112 119.100 119.100 119.843 -0.743 25588 5496 1 7 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.098 0.235 25588 5497 1 7 . 1 1 112 112 LEU C C 112 174.700 174.700 176.716 -2.016 25588 5498 1 7 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.498 -3.738 25588 5499 1 7 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.788 -3.338 25588 5500 1 7 . 1 1 112 112 LEU H H 112 7.850 7.850 7.408 0.442 25588 5501 1 7 . 1 1 113 113 GLY N N 113 106.800 106.800 104.271 2.529 25588 5502 1 7 . 1 1 113 113 GLY C C 113 171.700 171.700 172.179 -0.479 25588 5503 1 7 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.156 -2.366 25588 5504 1 7 . 1 1 113 113 GLY H H 113 7.830 7.830 7.467 0.363 25588 5505 1 7 . 1 1 114 114 GLU N N 114 120.600 120.600 119.483 1.117 25588 5506 1 7 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.652 -0.252 25588 5507 1 7 . 1 1 114 114 GLU C C 114 172.800 172.800 177.181 -4.381 25588 5508 1 7 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.121 -3.451 25588 5509 1 7 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.522 -2.562 25588 5510 1 7 . 1 1 114 114 GLU H H 114 7.914 7.914 8.663 -0.749 25588 5511 1 7 . 1 1 115 115 LYS N N 115 124.000 124.000 120.093 3.907 25588 5512 1 7 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.098 0.259 25588 5513 1 7 . 1 1 115 115 LYS C C 115 173.000 173.000 176.257 -3.257 25588 5514 1 7 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.548 -5.528 25588 5515 1 7 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.713 -3.303 25588 5516 1 7 . 1 1 115 115 LYS H H 115 8.505 8.505 8.471 0.034 25588 5517 1 7 . 1 1 116 116 LEU N N 116 125.000 125.000 116.198 8.802 25588 5518 1 7 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.553 0.206 25588 5519 1 7 . 1 1 116 116 LEU C C 116 175.300 175.300 176.593 -1.293 25588 5520 1 7 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.657 -1.237 25588 5521 1 7 . 1 1 116 116 LEU CB C 116 42.110 42.110 44.215 -2.105 25588 5522 1 7 . 1 1 116 116 LEU H H 116 8.076 8.076 7.550 0.526 25588 5523 1 7 . 1 1 117 117 THR N N 117 114.500 114.500 110.657 3.843 25588 5524 1 7 . 1 1 117 117 THR HA H 117 4.453 4.453 4.222 0.231 25588 5525 1 7 . 1 1 117 117 THR C C 117 172.800 172.800 174.484 -1.684 25588 5526 1 7 . 1 1 117 117 THR CA C 117 57.970 57.970 62.099 -4.128 25588 5527 1 7 . 1 1 117 117 THR CB C 117 68.610 68.610 69.851 -1.241 25588 5528 1 7 . 1 1 117 117 THR H H 117 9.116 9.116 8.360 0.756 25588 5529 1 7 . 1 1 118 118 ASP N N 118 121.000 121.000 119.280 1.720 25588 5530 1 7 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.634 -0.438 25588 5531 1 7 . 1 1 118 118 ASP C C 118 175.900 175.900 177.597 -1.697 25588 5532 1 7 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.291 -0.931 25588 5533 1 7 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.954 -3.844 25588 5534 1 7 . 1 1 118 118 ASP H H 118 8.847 8.847 8.658 0.189 25588 5535 1 7 . 1 1 119 119 GLU N N 119 119.100 119.100 119.343 -0.243 25588 5536 1 7 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.450 -0.380 25588 5537 1 7 . 1 1 119 119 GLU C C 119 176.500 176.500 177.541 -1.041 25588 5538 1 7 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.660 -1.380 25588 5539 1 7 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.621 -3.191 25588 5540 1 7 . 1 1 119 119 GLU H H 119 8.626 8.626 8.451 0.175 25588 5541 1 7 . 1 1 120 120 GLU N N 120 120.500 120.500 118.631 1.869 25588 5542 1 7 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.063 -0.073 25588 5543 1 7 . 1 1 120 120 GLU C C 120 177.400 177.400 178.671 -1.271 25588 5544 1 7 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.393 -2.803 25588 5545 1 7 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.103 -0.313 25588 5546 1 7 . 1 1 120 120 GLU H H 120 7.724 7.724 8.854 -1.130 25588 5547 1 7 . 1 1 121 121 VAL N N 121 121.100 121.100 115.185 5.915 25588 5548 1 7 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.772 -0.185 25588 5549 1 7 . 1 1 121 121 VAL C C 121 174.600 174.600 177.800 -3.200 25588 5550 1 7 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.513 -1.202 25588 5551 1 7 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.210 -2.830 25588 5552 1 7 . 1 1 121 121 VAL H H 121 8.062 8.062 8.044 0.018 25588 5553 1 7 . 1 1 122 122 ASP N N 122 119.600 119.600 121.374 -1.774 25588 5554 1 7 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.373 -0.064 25588 5555 1 7 . 1 1 122 122 ASP C C 122 176.500 176.500 178.187 -1.687 25588 5556 1 7 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.309 -2.308 25588 5557 1 7 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.270 -2.370 25588 5558 1 7 . 1 1 122 122 ASP H H 122 8.007 8.007 7.730 0.277 25588 5559 1 7 . 1 1 123 123 GLU N N 123 119.300 119.300 117.859 1.441 25588 5560 1 7 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.272 -0.274 25588 5561 1 7 . 1 1 123 123 GLU C C 123 175.400 175.400 178.339 -2.939 25588 5562 1 7 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.943 -1.283 25588 5563 1 7 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.387 -3.597 25588 5564 1 7 . 1 1 123 123 GLU H H 123 7.967 7.967 8.360 -0.393 25588 5565 1 7 . 1 1 124 124 MET N N 124 119.600 119.600 120.938 -1.338 25588 5566 1 7 . 1 1 124 124 MET HA H 124 4.033 4.033 4.275 -0.242 25588 5567 1 7 . 1 1 124 124 MET C C 124 176.500 176.500 178.466 -1.966 25588 5568 1 7 . 1 1 124 124 MET CA C 124 56.970 56.970 58.212 -1.242 25588 5569 1 7 . 1 1 124 124 MET CB C 124 30.470 30.470 32.466 -1.996 25588 5570 1 7 . 1 1 124 124 MET H H 124 7.789 7.789 8.513 -0.724 25588 5571 1 7 . 1 1 125 125 ILE N N 125 118.500 118.500 116.653 1.847 25588 5572 1 7 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.769 -0.270 25588 5573 1 7 . 1 1 125 125 ILE C C 125 174.600 174.600 177.436 -2.836 25588 5574 1 7 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.764 -2.574 25588 5575 1 7 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.502 -3.992 25588 5576 1 7 . 1 1 125 125 ILE H H 125 7.940 7.940 7.744 0.196 25588 5577 1 7 . 1 1 126 126 ARG N N 126 118.300 118.300 119.720 -1.420 25588 5578 1 7 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.047 -0.039 25588 5579 1 7 . 1 1 126 126 ARG C C 126 176.800 176.800 178.282 -1.482 25588 5580 1 7 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.394 -2.294 25588 5581 1 7 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.336 -2.766 25588 5582 1 7 . 1 1 126 126 ARG H H 126 8.168 8.168 7.239 0.929 25588 5583 1 7 . 1 1 127 127 GLU N N 127 116.300 116.300 119.491 -3.191 25588 5584 1 7 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.202 -0.219 25588 5585 1 7 . 1 1 127 127 GLU C C 127 174.700 174.700 177.493 -2.793 25588 5586 1 7 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.271 -2.391 25588 5587 1 7 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.595 -2.655 25588 5588 1 7 . 1 1 127 127 GLU H H 127 7.918 7.918 7.976 -0.058 25588 5589 1 7 . 1 1 128 128 ALA N N 128 119.100 119.100 119.968 -0.868 25588 5590 1 7 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.032 0.386 25588 5591 1 7 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.674 -4.164 25588 5592 1 7 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.838 -0.098 25588 5593 1 7 . 1 1 128 128 ALA H H 128 7.354 7.354 7.634 -0.280 25588 5594 1 7 . 1 1 129 129 ASP N N 129 117.400 117.400 117.642 -0.242 25588 5595 1 7 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.660 -0.158 25588 5596 1 7 . 1 1 129 129 ASP C C 129 173.400 173.400 176.988 -3.588 25588 5597 1 7 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.080 -1.670 25588 5598 1 7 . 1 1 129 129 ASP CB C 129 37.700 37.700 41.909 -4.209 25588 5599 1 7 . 1 1 129 129 ASP H H 129 7.871 7.871 7.671 0.200 25588 5600 1 7 . 1 1 130 130 ILE N N 130 128.000 128.000 121.369 6.631 25588 5601 1 7 . 1 1 130 130 ILE HA H 130 3.917 3.917 3.952 -0.035 25588 5602 1 7 . 1 1 130 130 ILE C C 130 175.300 175.300 176.430 -1.130 25588 5603 1 7 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.434 -1.724 25588 5604 1 7 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.462 -1.652 25588 5605 1 7 . 1 1 130 130 ILE H H 130 8.384 8.384 8.487 -0.103 25588 5606 1 7 . 1 1 131 131 ASP N N 131 116.800 116.800 121.893 -5.093 25588 5607 1 7 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.518 0.032 25588 5608 1 7 . 1 1 131 131 ASP C C 131 175.600 175.600 177.561 -1.961 25588 5609 1 7 . 1 1 131 131 ASP CA C 131 51.220 51.220 55.852 -4.632 25588 5610 1 7 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.143 -3.913 25588 5611 1 7 . 1 1 131 131 ASP H H 131 8.281 8.281 7.845 0.436 25588 5612 1 7 . 1 1 132 132 GLY N N 132 108.500 108.500 106.701 1.799 25588 5613 1 7 . 1 1 132 132 GLY C C 132 172.600 172.600 174.873 -2.273 25588 5614 1 7 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.095 -1.245 25588 5615 1 7 . 1 1 132 132 GLY H H 132 7.575 7.575 8.856 -1.281 25588 5616 1 7 . 1 1 133 133 ASP N N 133 120.800 120.800 119.246 1.554 25588 5617 1 7 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.586 -0.122 25588 5618 1 7 . 1 1 133 133 ASP C C 133 174.900 174.900 177.152 -2.252 25588 5619 1 7 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.079 -2.089 25588 5620 1 7 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.659 -3.069 25588 5621 1 7 . 1 1 133 133 ASP H H 133 8.326 8.326 8.007 0.319 25588 5622 1 7 . 1 1 134 134 GLY N N 134 112.900 112.900 109.092 3.808 25588 5623 1 7 . 1 1 134 134 GLY C C 134 170.200 170.200 172.843 -2.643 25588 5624 1 7 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.437 -2.386 25588 5625 1 7 . 1 1 134 134 GLY H H 134 10.310 10.310 7.748 2.562 25588 5626 1 7 . 1 1 135 135 GLN N N 135 115.400 115.400 120.841 -5.441 25588 5627 1 7 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.752 0.108 25588 5628 1 7 . 1 1 135 135 GLN C C 135 172.100 172.100 173.623 -1.523 25588 5629 1 7 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.416 -3.886 25588 5630 1 7 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.939 -2.919 25588 5631 1 7 . 1 1 135 135 GLN H H 135 7.937 7.937 8.107 -0.170 25588 5632 1 7 . 1 1 136 136 VAL N N 136 125.500 125.500 121.883 3.617 25588 5633 1 7 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.604 0.586 25588 5634 1 7 . 1 1 136 136 VAL C C 136 173.200 173.200 174.597 -1.397 25588 5635 1 7 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.750 -1.650 25588 5636 1 7 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.741 -3.821 25588 5637 1 7 . 1 1 136 136 VAL H H 136 9.112 9.112 8.595 0.517 25588 5638 1 7 . 1 1 137 137 ASN N N 137 129.000 129.000 122.980 6.020 25588 5639 1 7 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.279 -0.047 25588 5640 1 7 . 1 1 137 137 ASN C C 137 172.200 172.200 174.835 -2.635 25588 5641 1 7 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.906 -3.446 25588 5642 1 7 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.781 -6.090 25588 5643 1 7 . 1 1 137 137 ASN H H 137 9.509 9.509 7.876 1.633 25588 5644 1 7 . 1 1 138 138 TYR N N 138 118.400 118.400 122.865 -4.465 25588 5645 1 7 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.405 -0.981 25588 5646 1 7 . 1 1 138 138 TYR C C 138 173.500 173.500 177.225 -3.725 25588 5647 1 7 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.584 -2.554 25588 5648 1 7 . 1 1 138 138 TYR H H 138 8.420 8.420 9.232 -0.812 25588 5649 1 7 . 1 1 139 139 GLU N N 139 118.400 118.400 118.177 0.223 25588 5650 1 7 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.747 -0.106 25588 5651 1 7 . 1 1 139 139 GLU C C 139 177.900 177.900 178.992 -1.092 25588 5652 1 7 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.138 -2.398 25588 5653 1 7 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.621 -2.231 25588 5654 1 7 . 1 1 139 139 GLU H H 139 8.066 8.066 8.969 -0.903 25588 5655 1 7 . 1 1 140 140 GLU N N 140 119.900 119.900 119.100 0.800 25588 5656 1 7 . 1 1 140 140 GLU C C 140 176.700 176.700 178.702 -2.002 25588 5657 1 7 . 1 1 140 140 GLU CA C 140 55.900 55.900 59.067 -3.167 25588 5658 1 7 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.132 -1.932 25588 5659 1 7 . 1 1 140 140 GLU H H 140 8.728 8.728 8.312 0.416 25588 5660 1 7 . 1 1 141 141 PHE N N 141 124.600 124.600 119.714 4.886 25588 5661 1 7 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.124 -0.140 25588 5662 1 7 . 1 1 141 141 PHE C C 141 174.200 174.200 177.687 -3.487 25588 5663 1 7 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.060 -3.100 25588 5664 1 7 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.512 -1.242 25588 5665 1 7 . 1 1 141 141 PHE H H 141 8.920 8.920 7.755 1.165 25588 5666 1 7 . 1 1 142 142 VAL N N 142 119.300 119.300 117.685 1.615 25588 5667 1 7 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.524 -0.403 25588 5668 1 7 . 1 1 142 142 VAL C C 142 176.900 176.900 177.234 -0.334 25588 5669 1 7 . 1 1 142 142 VAL CA C 142 64.430 64.430 65.961 -1.531 25588 5670 1 7 . 1 1 142 142 VAL H H 142 8.536 8.536 7.377 1.159 25588 5671 1 7 . 1 1 143 143 GLN N N 143 118.200 118.200 116.481 1.719 25588 5672 1 7 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.000 -0.149 25588 5673 1 7 . 1 1 143 143 GLN C C 143 175.300 175.300 177.552 -2.252 25588 5674 1 7 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.473 -1.213 25588 5675 1 7 . 1 1 143 143 GLN H H 143 7.404 7.404 7.242 0.162 25588 5676 1 7 . 1 1 144 144 MET N N 144 119.400 119.400 117.493 1.907 25588 5677 1 7 . 1 1 144 144 MET HA H 144 4.107 4.107 4.109 -0.002 25588 5678 1 7 . 1 1 144 144 MET C C 144 175.400 175.400 176.681 -1.281 25588 5679 1 7 . 1 1 144 144 MET CA C 144 55.500 55.500 58.036 -2.536 25588 5680 1 7 . 1 1 144 144 MET CB C 144 30.460 30.460 33.363 -2.903 25588 5681 1 7 . 1 1 144 144 MET H H 144 7.878 7.878 7.768 0.110 25588 5682 1 7 . 1 1 145 145 MET N N 145 115.000 115.000 116.923 -1.923 25588 5683 1 7 . 1 1 145 145 MET HA H 145 4.281 4.281 4.583 -0.302 25588 5684 1 7 . 1 1 145 145 MET C C 145 174.900 174.900 174.569 0.331 25588 5685 1 7 . 1 1 145 145 MET CA C 145 52.740 52.740 55.657 -2.917 25588 5686 1 7 . 1 1 145 145 MET H H 145 7.852 7.852 7.522 0.330 25588 5687 1 7 . 1 1 146 146 THR N N 146 111.100 111.100 115.944 -4.844 25588 5688 1 7 . 1 1 146 146 THR HA H 146 4.306 4.306 4.474 -0.168 25588 5689 1 7 . 1 1 146 146 THR C C 146 171.600 171.600 173.861 -2.261 25588 5690 1 7 . 1 1 146 146 THR CA C 146 59.830 59.830 61.975 -2.145 25588 5691 1 7 . 1 1 146 146 THR CB C 146 67.510 67.510 68.774 -1.264 25588 5692 1 7 . 1 1 146 146 THR H H 146 7.571 7.571 8.217 -0.646 25588 5693 1 7 . 1 1 147 147 ALA N N 147 126.300 126.300 125.816 0.484 25588 5694 1 7 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.091 0.209 25588 5695 1 7 . 1 1 147 147 ALA C C 147 174.000 174.000 177.006 -3.006 25588 5696 1 7 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.116 -3.926 25588 5697 1 7 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.466 -2.986 25588 5698 1 7 . 1 1 147 147 ALA H H 147 7.723 7.723 7.886 -0.163 25588 5699 1 8 . 1 1 2 2 ASP N N 2 118.400 118.400 122.177 -3.777 25588 5700 1 8 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.790 -0.176 25588 5701 1 8 . 1 1 2 2 ASP C C 2 173.000 173.000 176.059 -3.059 25588 5702 1 8 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.018 -1.998 25588 5703 1 8 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.416 -2.596 25588 5704 1 8 . 1 1 2 2 ASP H H 2 8.311 8.311 8.424 -0.113 25588 5705 1 8 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.199 0.155 25588 5706 1 8 . 1 1 3 3 GLN C C 3 173.000 173.000 175.744 -2.744 25588 5707 1 8 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.028 -3.118 25588 5708 1 8 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.496 -2.346 25588 5709 1 8 . 1 1 3 3 GLN H H 3 8.321 8.321 8.598 -0.277 25588 5710 1 8 . 1 1 4 4 LEU N N 4 123.200 123.200 120.848 2.352 25588 5711 1 8 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.806 -0.155 25588 5712 1 8 . 1 1 4 4 LEU C C 4 175.100 175.100 175.496 -0.396 25588 5713 1 8 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.045 -2.255 25588 5714 1 8 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.311 -2.451 25588 5715 1 8 . 1 1 4 4 LEU H H 4 8.268 8.268 8.123 0.145 25588 5716 1 8 . 1 1 5 5 THR N N 5 113.000 113.000 116.940 -3.940 25588 5717 1 8 . 1 1 5 5 THR HA H 5 4.754 4.754 4.678 0.076 25588 5718 1 8 . 1 1 5 5 THR C C 5 172.800 172.800 174.805 -2.005 25588 5719 1 8 . 1 1 5 5 THR CA C 5 57.880 57.880 60.058 -2.178 25588 5720 1 8 . 1 1 5 5 THR CB C 5 68.480 68.480 71.602 -3.122 25588 5721 1 8 . 1 1 5 5 THR H H 5 8.682 8.682 7.678 1.004 25588 5722 1 8 . 1 1 6 6 GLU N N 6 120.500 120.500 121.596 -1.096 25588 5723 1 8 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.012 -0.049 25588 5724 1 8 . 1 1 6 6 GLU C C 6 176.800 176.800 178.371 -1.571 25588 5725 1 8 . 1 1 6 6 GLU CA C 6 57.430 57.430 60.044 -2.614 25588 5726 1 8 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.567 -3.047 25588 5727 1 8 . 1 1 6 6 GLU H H 6 8.990 8.990 8.888 0.102 25588 5728 1 8 . 1 1 7 7 GLU N N 7 119.600 119.600 118.459 1.141 25588 5729 1 8 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.004 0.065 25588 5730 1 8 . 1 1 7 7 GLU C C 7 176.500 176.500 179.125 -2.625 25588 5731 1 8 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.453 -2.073 25588 5732 1 8 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.306 -2.876 25588 5733 1 8 . 1 1 7 7 GLU H H 7 8.668 8.668 8.618 0.050 25588 5734 1 8 . 1 1 8 8 GLN N N 8 120.100 120.100 118.641 1.459 25588 5735 1 8 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.032 -0.163 25588 5736 1 8 . 1 1 8 8 GLN C C 8 175.700 175.700 178.790 -3.090 25588 5737 1 8 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.645 -2.695 25588 5738 1 8 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.889 -2.079 25588 5739 1 8 . 1 1 8 8 GLN H H 8 7.721 7.721 7.521 0.200 25588 5740 1 8 . 1 1 9 9 ILE N N 9 119.600 119.600 120.191 -0.591 25588 5741 1 8 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.864 -0.152 25588 5742 1 8 . 1 1 9 9 ILE C C 9 175.100 175.100 177.862 -2.762 25588 5743 1 8 . 1 1 9 9 ILE CA C 9 63.530 63.530 65.026 -1.496 25588 5744 1 8 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.858 -2.778 25588 5745 1 8 . 1 1 9 9 ILE H H 9 8.373 8.373 7.757 0.616 25588 5746 1 8 . 1 1 10 10 ALA N N 10 121.300 121.300 122.279 -0.979 25588 5747 1 8 . 1 1 10 10 ALA C C 10 178.400 178.400 179.286 -0.886 25588 5748 1 8 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.436 -2.646 25588 5749 1 8 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.941 -2.581 25588 5750 1 8 . 1 1 10 10 ALA H H 10 7.984 7.984 8.444 -0.460 25588 5751 1 8 . 1 1 11 11 GLU N N 11 119.500 119.500 119.688 -0.188 25588 5752 1 8 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.836 0.311 25588 5753 1 8 . 1 1 11 11 GLU C C 11 177.900 177.900 179.110 -1.210 25588 5754 1 8 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.206 -2.536 25588 5755 1 8 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.209 -2.709 25588 5756 1 8 . 1 1 11 11 GLU H H 11 7.779 7.779 7.696 0.083 25588 5757 1 8 . 1 1 12 12 PHE N N 12 120.200 120.200 118.042 2.158 25588 5758 1 8 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.290 0.730 25588 5759 1 8 . 1 1 12 12 PHE C C 12 176.100 176.100 177.943 -1.843 25588 5760 1 8 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.418 -4.808 25588 5761 1 8 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.625 -3.345 25588 5762 1 8 . 1 1 12 12 PHE H H 12 8.562 8.562 7.406 1.156 25588 5763 1 8 . 1 1 13 13 LYS N N 13 123.500 123.500 120.146 3.354 25588 5764 1 8 . 1 1 13 13 LYS HA H 13 3.989 3.989 3.964 0.025 25588 5765 1 8 . 1 1 13 13 LYS C C 13 176.700 176.700 178.820 -2.120 25588 5766 1 8 . 1 1 13 13 LYS CA C 13 57.520 57.520 60.007 -2.486 25588 5767 1 8 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.416 -3.107 25588 5768 1 8 . 1 1 13 13 LYS H H 13 9.161 9.161 8.039 1.122 25588 5769 1 8 . 1 1 14 14 GLU N N 14 120.400 120.400 118.478 1.922 25588 5770 1 8 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.147 -0.022 25588 5771 1 8 . 1 1 14 14 GLU C C 14 176.800 176.800 179.025 -2.225 25588 5772 1 8 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.813 -2.083 25588 5773 1 8 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.409 -2.809 25588 5774 1 8 . 1 1 14 14 GLU H H 14 7.786 7.786 8.633 -0.848 25588 5775 1 8 . 1 1 15 15 ALA N N 15 122.600 122.600 122.586 0.014 25588 5776 1 8 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.906 0.377 25588 5777 1 8 . 1 1 15 15 ALA C C 15 176.400 176.400 179.497 -3.097 25588 5778 1 8 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.926 -2.336 25588 5779 1 8 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.131 -2.591 25588 5780 1 8 . 1 1 15 15 ALA H H 15 7.981 7.981 8.363 -0.382 25588 5781 1 8 . 1 1 16 16 PHE N N 16 119.400 119.400 118.557 0.843 25588 5782 1 8 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.436 -1.230 25588 5783 1 8 . 1 1 16 16 PHE C C 16 174.600 174.600 177.382 -2.782 25588 5784 1 8 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.355 -1.995 25588 5785 1 8 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.346 -2.306 25588 5786 1 8 . 1 1 16 16 PHE H H 16 8.796 8.796 8.228 0.568 25588 5787 1 8 . 1 1 17 17 SER N N 17 112.600 112.600 114.761 -2.161 25588 5788 1 8 . 1 1 17 17 SER HA H 17 4.028 4.028 4.163 -0.135 25588 5789 1 8 . 1 1 17 17 SER C C 17 172.400 172.400 176.004 -3.604 25588 5790 1 8 . 1 1 17 17 SER CA C 17 58.820 58.820 60.618 -1.798 25588 5791 1 8 . 1 1 17 17 SER CB C 17 60.680 60.680 63.371 -2.691 25588 5792 1 8 . 1 1 17 17 SER H H 17 7.898 7.898 7.745 0.153 25588 5793 1 8 . 1 1 18 18 LEU N N 18 121.000 121.000 123.920 -2.920 25588 5794 1 8 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.913 0.082 25588 5795 1 8 . 1 1 18 18 LEU C C 18 175.300 175.300 177.549 -2.249 25588 5796 1 8 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.411 -2.921 25588 5797 1 8 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.277 -2.407 25588 5798 1 8 . 1 1 18 18 LEU H H 18 7.426 7.426 7.583 -0.157 25588 5799 1 8 . 1 1 19 19 PHE N N 19 115.200 115.200 115.136 0.064 25588 5800 1 8 . 1 1 19 19 PHE C C 19 174.100 174.100 178.090 -3.990 25588 5801 1 8 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.547 -4.907 25588 5802 1 8 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.350 -0.100 25588 5803 1 8 . 1 1 19 19 PHE H H 19 7.309 7.309 7.380 -0.071 25588 5804 1 8 . 1 1 20 20 ASP N N 20 117.700 117.700 117.836 -0.136 25588 5805 1 8 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.555 -0.015 25588 5806 1 8 . 1 1 20 20 ASP C C 20 174.500 174.500 178.105 -3.605 25588 5807 1 8 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.983 -5.263 25588 5808 1 8 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.689 -4.489 25588 5809 1 8 . 1 1 20 20 ASP H H 20 7.814 7.814 8.077 -0.263 25588 5810 1 8 . 1 1 21 21 LYS N N 21 124.400 124.400 118.952 5.448 25588 5811 1 8 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.905 0.049 25588 5812 1 8 . 1 1 21 21 LYS C C 21 175.500 175.500 177.763 -2.263 25588 5813 1 8 . 1 1 21 21 LYS CA C 21 55.890 55.890 58.842 -2.952 25588 5814 1 8 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.230 -2.170 25588 5815 1 8 . 1 1 21 21 LYS H H 21 7.652 7.652 7.335 0.317 25588 5816 1 8 . 1 1 22 22 ASP N N 22 113.900 113.900 116.671 -2.771 25588 5817 1 8 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.382 0.203 25588 5818 1 8 . 1 1 22 22 ASP C C 22 175.000 175.000 177.107 -2.107 25588 5819 1 8 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.657 -5.527 25588 5820 1 8 . 1 1 22 22 ASP CB C 22 36.910 36.910 41.117 -4.207 25588 5821 1 8 . 1 1 22 22 ASP H H 22 8.056 8.056 7.732 0.324 25588 5822 1 8 . 1 1 23 23 GLY N N 23 109.200 109.200 109.070 0.130 25588 5823 1 8 . 1 1 23 23 GLY C C 23 172.300 172.300 173.681 -1.381 25588 5824 1 8 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.593 -0.002 25588 5825 1 8 . 1 1 23 23 GLY H H 23 7.660 7.660 7.707 -0.047 25588 5826 1 8 . 1 1 24 24 ASP N N 24 118.600 118.600 119.404 -0.804 25588 5827 1 8 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.468 0.149 25588 5828 1 8 . 1 1 24 24 ASP C C 24 174.200 174.200 176.353 -2.153 25588 5829 1 8 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.607 -5.637 25588 5830 1 8 . 1 1 24 24 ASP CB C 24 35.090 35.090 40.898 -5.808 25588 5831 1 8 . 1 1 24 24 ASP H H 24 8.052 8.052 8.440 -0.388 25588 5832 1 8 . 1 1 25 25 GLY N N 25 113.400 113.400 108.909 4.491 25588 5833 1 8 . 1 1 25 25 GLY C C 25 170.600 170.600 172.951 -2.351 25588 5834 1 8 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.338 -2.178 25588 5835 1 8 . 1 1 25 25 GLY H H 25 10.570 10.570 8.004 2.566 25588 5836 1 8 . 1 1 26 26 THR N N 26 109.100 109.100 117.934 -8.834 25588 5837 1 8 . 1 1 26 26 THR HA H 26 5.271 5.271 4.507 0.764 25588 5838 1 8 . 1 1 26 26 THR C C 26 170.200 170.200 172.812 -2.612 25588 5839 1 8 . 1 1 26 26 THR CA C 26 57.170 57.170 62.202 -5.032 25588 5840 1 8 . 1 1 26 26 THR CB C 26 69.920 69.920 72.509 -2.589 25588 5841 1 8 . 1 1 26 26 THR H H 26 7.661 7.661 8.222 -0.561 25588 5842 1 8 . 1 1 27 27 ILE N N 27 127.100 127.100 126.802 0.298 25588 5843 1 8 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.680 0.291 25588 5844 1 8 . 1 1 27 27 ILE C C 27 173.400 173.400 174.752 -1.352 25588 5845 1 8 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.171 -2.351 25588 5846 1 8 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.484 -2.764 25588 5847 1 8 . 1 1 27 27 ILE H H 27 9.766 9.766 8.264 1.502 25588 5848 1 8 . 1 1 28 28 THR N N 28 116.500 116.500 117.205 -0.705 25588 5849 1 8 . 1 1 28 28 THR HA H 28 4.802 4.802 5.001 -0.199 25588 5850 1 8 . 1 1 28 28 THR C C 28 173.900 173.900 175.972 -2.072 25588 5851 1 8 . 1 1 28 28 THR CA C 28 56.980 56.980 59.608 -2.628 25588 5852 1 8 . 1 1 28 28 THR CB C 28 69.730 69.730 72.116 -2.386 25588 5853 1 8 . 1 1 28 28 THR H H 28 8.458 8.458 8.379 0.079 25588 5854 1 8 . 1 1 29 29 THR N N 29 112.900 112.900 112.984 -0.084 25588 5855 1 8 . 1 1 29 29 THR HA H 29 4.169 4.169 4.024 0.145 25588 5856 1 8 . 1 1 29 29 THR C C 29 174.500 174.500 176.613 -2.113 25588 5857 1 8 . 1 1 29 29 THR CA C 29 63.940 63.940 66.459 -2.519 25588 5858 1 8 . 1 1 29 29 THR CB C 29 65.170 65.170 68.553 -3.383 25588 5859 1 8 . 1 1 29 29 THR H H 29 9.066 9.066 8.710 0.356 25588 5860 1 8 . 1 1 30 30 LYS N N 30 120.800 120.800 121.748 -0.948 25588 5861 1 8 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.986 0.125 25588 5862 1 8 . 1 1 30 30 LYS C C 30 177.200 177.200 179.067 -1.867 25588 5863 1 8 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.425 -2.895 25588 5864 1 8 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.282 -2.322 25588 5865 1 8 . 1 1 30 30 LYS H H 30 7.664 7.664 7.697 -0.033 25588 5866 1 8 . 1 1 31 31 GLU N N 31 121.400 121.400 119.265 2.135 25588 5867 1 8 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.044 0.021 25588 5868 1 8 . 1 1 31 31 GLU C C 31 176.500 176.500 179.222 -2.722 25588 5869 1 8 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.935 -2.355 25588 5870 1 8 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.830 -2.670 25588 5871 1 8 . 1 1 31 31 GLU H H 31 7.635 7.635 7.478 0.157 25588 5872 1 8 . 1 1 32 32 LEU N N 32 120.600 120.600 121.176 -0.576 25588 5873 1 8 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.341 -0.259 25588 5874 1 8 . 1 1 32 32 LEU C C 32 176.300 176.300 178.975 -2.675 25588 5875 1 8 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.406 -1.996 25588 5876 1 8 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.944 -1.974 25588 5877 1 8 . 1 1 32 32 LEU H H 32 8.699 8.699 7.998 0.701 25588 5878 1 8 . 1 1 33 33 GLY N N 33 105.600 105.600 104.228 1.372 25588 5879 1 8 . 1 1 33 33 GLY C C 33 172.500 172.500 176.349 -3.849 25588 5880 1 8 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.411 -1.691 25588 5881 1 8 . 1 1 33 33 GLY H H 33 8.616 8.616 8.872 -0.256 25588 5882 1 8 . 1 1 34 34 THR N N 34 118.000 118.000 119.285 -1.285 25588 5883 1 8 . 1 1 34 34 THR HA H 34 3.913 3.913 4.017 -0.104 25588 5884 1 8 . 1 1 34 34 THR C C 34 174.500 174.500 176.581 -2.081 25588 5885 1 8 . 1 1 34 34 THR CA C 34 64.250 64.250 66.107 -1.857 25588 5886 1 8 . 1 1 34 34 THR CB C 34 66.100 66.100 68.458 -2.358 25588 5887 1 8 . 1 1 34 34 THR H H 34 7.867 7.867 7.516 0.351 25588 5888 1 8 . 1 1 35 35 VAL N N 35 122.100 122.100 121.482 0.618 25588 5889 1 8 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.670 -0.212 25588 5890 1 8 . 1 1 35 35 VAL C C 35 176.500 176.500 177.310 -0.810 25588 5891 1 8 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.817 -2.187 25588 5892 1 8 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.928 -2.808 25588 5893 1 8 . 1 1 35 35 VAL H H 35 7.613 7.613 7.851 -0.238 25588 5894 1 8 . 1 1 36 36 MET N N 36 118.400 118.400 117.461 0.939 25588 5895 1 8 . 1 1 36 36 MET HA H 36 4.095 4.095 4.051 0.044 25588 5896 1 8 . 1 1 36 36 MET C C 36 176.500 176.500 177.857 -1.357 25588 5897 1 8 . 1 1 36 36 MET CA C 36 56.420 56.420 57.689 -1.269 25588 5898 1 8 . 1 1 36 36 MET H H 36 8.440 8.440 7.434 1.006 25588 5899 1 8 . 1 1 37 37 ARG N N 37 119.000 119.000 117.540 1.460 25588 5900 1 8 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.034 0.767 25588 5901 1 8 . 1 1 37 37 ARG C C 37 178.500 178.500 179.354 -0.854 25588 5902 1 8 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.352 -2.932 25588 5903 1 8 . 1 1 37 37 ARG H H 37 8.474 8.474 8.097 0.377 25588 5904 1 8 . 1 1 38 38 SER N N 38 118.800 118.800 116.065 2.735 25588 5905 1 8 . 1 1 38 38 SER HA H 38 4.380 4.380 4.253 0.127 25588 5906 1 8 . 1 1 38 38 SER C C 38 172.200 172.200 175.954 -3.754 25588 5907 1 8 . 1 1 38 38 SER CA C 38 58.930 58.930 61.246 -2.316 25588 5908 1 8 . 1 1 38 38 SER CB C 38 60.200 60.200 62.390 -2.190 25588 5909 1 8 . 1 1 38 38 SER H H 38 7.899 7.899 7.962 -0.063 25588 5910 1 8 . 1 1 39 39 LEU N N 39 120.600 120.600 118.396 2.204 25588 5911 1 8 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.533 -0.038 25588 5912 1 8 . 1 1 39 39 LEU C C 39 174.800 174.800 177.952 -3.152 25588 5913 1 8 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.390 -2.460 25588 5914 1 8 . 1 1 39 39 LEU H H 39 7.364 7.364 7.487 -0.123 25588 5915 1 8 . 1 1 40 40 GLY N N 40 106.800 106.800 109.104 -2.304 25588 5916 1 8 . 1 1 40 40 GLY C C 40 171.700 171.700 174.351 -2.651 25588 5917 1 8 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.590 -3.620 25588 5918 1 8 . 1 1 40 40 GLY H H 40 7.862 7.862 8.078 -0.216 25588 5919 1 8 . 1 1 41 41 GLN N N 41 118.400 118.400 122.621 -4.221 25588 5920 1 8 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.456 0.024 25588 5921 1 8 . 1 1 41 41 GLN C C 41 171.400 171.400 173.500 -2.100 25588 5922 1 8 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.240 -3.350 25588 5923 1 8 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.273 -3.193 25588 5924 1 8 . 1 1 41 41 GLN H H 41 7.788 7.788 8.588 -0.800 25588 5925 1 8 . 1 1 42 42 ASN N N 42 116.300 116.300 123.951 -7.651 25588 5926 1 8 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.382 -0.189 25588 5927 1 8 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.919 -1.299 25588 5928 1 8 . 1 1 42 42 ASN H H 42 8.665 8.665 8.356 0.309 25588 5929 1 8 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.091 0.644 25588 5930 1 8 . 1 1 43 43 PRO C C 43 175.100 175.100 178.597 -3.497 25588 5931 1 8 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.858 -6.077 25588 5932 1 8 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.704 -2.314 25588 5933 1 8 . 1 1 44 44 THR N N 44 112.900 112.900 112.978 -0.078 25588 5934 1 8 . 1 1 44 44 THR HA H 44 4.707 4.707 3.949 0.758 25588 5935 1 8 . 1 1 44 44 THR C C 44 172.600 172.600 176.821 -4.221 25588 5936 1 8 . 1 1 44 44 THR CA C 44 57.830 57.830 66.605 -8.775 25588 5937 1 8 . 1 1 44 44 THR CB C 44 68.490 68.490 68.327 0.163 25588 5938 1 8 . 1 1 44 44 THR H H 44 8.702 8.702 7.977 0.725 25588 5939 1 8 . 1 1 45 45 GLU N N 45 120.800 120.800 120.187 0.613 25588 5940 1 8 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.290 -0.315 25588 5941 1 8 . 1 1 45 45 GLU C C 45 176.300 176.300 178.471 -2.171 25588 5942 1 8 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.314 -0.854 25588 5943 1 8 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.585 -3.165 25588 5944 1 8 . 1 1 45 45 GLU H H 45 8.789 8.789 8.624 0.165 25588 5945 1 8 . 1 1 46 46 ALA N N 46 120.700 120.700 123.683 -2.983 25588 5946 1 8 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.055 0.034 25588 5947 1 8 . 1 1 46 46 ALA C C 46 177.700 177.700 179.772 -2.072 25588 5948 1 8 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.302 -2.892 25588 5949 1 8 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.931 -2.281 25588 5950 1 8 . 1 1 46 46 ALA H H 46 8.241 8.241 8.220 0.021 25588 5951 1 8 . 1 1 47 47 GLU N N 47 118.900 118.900 117.955 0.945 25588 5952 1 8 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.153 -0.151 25588 5953 1 8 . 1 1 47 47 GLU C C 47 177.500 177.500 179.419 -1.919 25588 5954 1 8 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.741 -2.331 25588 5955 1 8 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.654 -2.594 25588 5956 1 8 . 1 1 47 47 GLU H H 47 7.682 7.682 7.918 -0.236 25588 5957 1 8 . 1 1 48 48 LEU N N 48 120.600 120.600 120.181 0.419 25588 5958 1 8 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.003 0.058 25588 5959 1 8 . 1 1 48 48 LEU C C 48 175.900 175.900 178.699 -2.799 25588 5960 1 8 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.212 -1.942 25588 5961 1 8 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.478 -1.738 25588 5962 1 8 . 1 1 48 48 LEU H H 48 8.169 8.169 7.483 0.686 25588 5963 1 8 . 1 1 49 49 GLN N N 49 118.200 118.200 119.766 -1.566 25588 5964 1 8 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.848 -0.021 25588 5965 1 8 . 1 1 49 49 GLN C C 49 175.900 175.900 178.064 -2.164 25588 5966 1 8 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.224 -3.255 25588 5967 1 8 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.879 -2.359 25588 5968 1 8 . 1 1 49 49 GLN H H 49 8.179 8.179 8.503 -0.324 25588 5969 1 8 . 1 1 50 50 ASP N N 50 119.900 119.900 118.794 1.106 25588 5970 1 8 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.466 -0.083 25588 5971 1 8 . 1 1 50 50 ASP C C 50 175.900 175.900 178.152 -2.252 25588 5972 1 8 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.776 -1.825 25588 5973 1 8 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.792 -3.002 25588 5974 1 8 . 1 1 50 50 ASP H H 50 8.037 8.037 7.610 0.427 25588 5975 1 8 . 1 1 51 51 MET N N 51 119.300 119.300 120.800 -1.500 25588 5976 1 8 . 1 1 51 51 MET HA H 51 4.028 4.028 4.108 -0.080 25588 5977 1 8 . 1 1 51 51 MET C C 51 176.200 176.200 178.273 -2.073 25588 5978 1 8 . 1 1 51 51 MET CA C 51 56.710 56.710 59.181 -2.471 25588 5979 1 8 . 1 1 51 51 MET CB C 51 30.570 30.570 32.748 -2.178 25588 5980 1 8 . 1 1 51 51 MET H H 51 7.855 7.855 7.321 0.534 25588 5981 1 8 . 1 1 52 52 ILE N N 52 118.200 118.200 119.549 -1.349 25588 5982 1 8 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.483 0.006 25588 5983 1 8 . 1 1 52 52 ILE C C 52 175.100 175.100 177.897 -2.797 25588 5984 1 8 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.932 -3.712 25588 5985 1 8 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.750 1.580 25588 5986 1 8 . 1 1 52 52 ILE H H 52 7.701 7.701 8.866 -1.165 25588 5987 1 8 . 1 1 53 53 ASN N N 53 117.700 117.700 117.298 0.402 25588 5988 1 8 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.316 0.045 25588 5989 1 8 . 1 1 53 53 ASN C C 53 174.800 174.800 177.232 -2.432 25588 5990 1 8 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.674 -3.384 25588 5991 1 8 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.449 -3.009 25588 5992 1 8 . 1 1 53 53 ASN H H 53 8.529 8.529 7.838 0.691 25588 5993 1 8 . 1 1 54 54 GLU N N 54 116.400 116.400 120.365 -3.965 25588 5994 1 8 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.991 0.030 25588 5995 1 8 . 1 1 54 54 GLU C C 54 175.000 175.000 177.594 -2.594 25588 5996 1 8 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.224 -2.984 25588 5997 1 8 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.880 -2.050 25588 5998 1 8 . 1 1 54 54 GLU H H 54 7.573 7.573 8.055 -0.482 25588 5999 1 8 . 1 1 55 55 VAL N N 55 108.400 108.400 116.866 -8.466 25588 6000 1 8 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.888 0.558 25588 6001 1 8 . 1 1 55 55 VAL C C 55 173.100 173.100 177.801 -4.701 25588 6002 1 8 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.177 -7.087 25588 6003 1 8 . 1 1 55 55 VAL H H 55 7.204 7.204 7.734 -0.530 25588 6004 1 8 . 1 1 56 56 ASP N N 56 126.900 126.900 120.131 6.769 25588 6005 1 8 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.509 0.129 25588 6006 1 8 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.145 -4.095 25588 6007 1 8 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.797 -3.317 25588 6008 1 8 . 1 1 56 56 ASP H H 56 7.649 7.649 8.301 -0.652 25588 6009 1 8 . 1 1 57 57 ALA N N 57 131.900 131.900 121.101 10.799 25588 6010 1 8 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.227 -0.045 25588 6011 1 8 . 1 1 57 57 ALA C C 57 176.000 176.000 177.778 -1.778 25588 6012 1 8 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.076 -1.386 25588 6013 1 8 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.043 -1.143 25588 6014 1 8 . 1 1 57 57 ALA H H 57 8.458 8.458 7.926 0.532 25588 6015 1 8 . 1 1 58 58 ASP N N 58 113.800 113.800 118.513 -4.713 25588 6016 1 8 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.432 0.179 25588 6017 1 8 . 1 1 58 58 ASP C C 58 175.200 175.200 176.952 -1.752 25588 6018 1 8 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.354 -5.314 25588 6019 1 8 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.708 -3.508 25588 6020 1 8 . 1 1 58 58 ASP H H 58 8.125 8.125 7.645 0.480 25588 6021 1 8 . 1 1 59 59 GLY N N 59 108.400 108.400 106.597 1.803 25588 6022 1 8 . 1 1 59 59 GLY C C 59 172.500 172.500 173.371 -0.871 25588 6023 1 8 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.285 -0.625 25588 6024 1 8 . 1 1 59 59 GLY H H 59 7.550 7.550 7.821 -0.271 25588 6025 1 8 . 1 1 60 60 ASN N N 60 120.600 120.600 117.219 3.381 25588 6026 1 8 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.752 -0.265 25588 6027 1 8 . 1 1 60 60 ASN C C 60 174.800 174.800 174.899 -0.099 25588 6028 1 8 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.554 -1.374 25588 6029 1 8 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.354 -1.514 25588 6030 1 8 . 1 1 60 60 ASN H H 60 8.356 8.356 7.975 0.381 25588 6031 1 8 . 1 1 61 61 GLY N N 61 113.300 113.300 106.685 6.615 25588 6032 1 8 . 1 1 61 61 GLY C C 61 171.100 171.100 173.765 -2.665 25588 6033 1 8 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.825 -2.995 25588 6034 1 8 . 1 1 61 61 GLY H H 61 10.610 10.610 8.734 1.876 25588 6035 1 8 . 1 1 62 62 THR N N 62 112.900 112.900 111.872 1.028 25588 6036 1 8 . 1 1 62 62 THR HA H 62 4.756 4.756 4.924 -0.168 25588 6037 1 8 . 1 1 62 62 THR C C 62 170.500 170.500 173.354 -2.854 25588 6038 1 8 . 1 1 62 62 THR CA C 62 57.050 57.050 59.627 -2.576 25588 6039 1 8 . 1 1 62 62 THR CB C 62 69.100 69.100 72.031 -2.931 25588 6040 1 8 . 1 1 62 62 THR H H 62 8.111 8.111 7.702 0.409 25588 6041 1 8 . 1 1 63 63 ILE N N 63 123.900 123.900 123.779 0.121 25588 6042 1 8 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.274 0.878 25588 6043 1 8 . 1 1 63 63 ILE C C 63 172.900 172.900 174.534 -1.634 25588 6044 1 8 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.345 -2.985 25588 6045 1 8 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.130 -4.270 25588 6046 1 8 . 1 1 63 63 ILE H H 63 8.905 8.905 9.074 -0.169 25588 6047 1 8 . 1 1 64 64 ASP N N 64 128.200 128.200 126.598 1.602 25588 6048 1 8 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.829 0.513 25588 6049 1 8 . 1 1 64 64 ASP C C 64 173.700 173.700 177.159 -3.459 25588 6050 1 8 . 1 1 64 64 ASP CA C 64 49.470 49.470 53.627 -4.157 25588 6051 1 8 . 1 1 64 64 ASP CB C 64 39.650 39.650 42.031 -2.381 25588 6052 1 8 . 1 1 64 64 ASP H H 64 8.778 8.778 8.445 0.333 25588 6053 1 8 . 1 1 65 65 PHE N N 65 118.700 118.700 120.824 -2.124 25588 6054 1 8 . 1 1 65 65 PHE CA C 65 61.020 61.020 64.187 -3.167 25588 6055 1 8 . 1 1 65 65 PHE H H 65 8.903 8.903 9.070 -0.167 25588 6056 1 8 . 1 1 66 66 PRO C C 66 177.400 177.400 178.689 -1.289 25588 6057 1 8 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.528 -2.568 25588 6058 1 8 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.325 -3.265 25588 6059 1 8 . 1 1 67 67 GLU N N 67 117.600 117.600 117.346 0.254 25588 6060 1 8 . 1 1 67 67 GLU C C 67 176.100 176.100 179.014 -2.914 25588 6061 1 8 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.323 -3.253 25588 6062 1 8 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.262 -2.513 25588 6063 1 8 . 1 1 67 67 GLU H H 67 7.894 7.894 8.628 -0.734 25588 6064 1 8 . 1 1 68 68 PHE N N 68 123.500 123.500 122.059 1.441 25588 6065 1 8 . 1 1 68 68 PHE C C 68 174.400 174.400 177.015 -2.615 25588 6066 1 8 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.868 -3.258 25588 6067 1 8 . 1 1 68 68 PHE CB C 68 37.520 37.520 39.010 -1.490 25588 6068 1 8 . 1 1 68 68 PHE H H 68 8.826 8.826 8.074 0.752 25588 6069 1 8 . 1 1 69 69 LEU N N 69 119.000 119.000 118.972 0.028 25588 6070 1 8 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.899 -0.565 25588 6071 1 8 . 1 1 69 69 LEU C C 69 176.600 176.600 179.174 -2.574 25588 6072 1 8 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.386 -3.036 25588 6073 1 8 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.615 -3.435 25588 6074 1 8 . 1 1 69 69 LEU H H 69 8.321 8.321 8.800 -0.479 25588 6075 1 8 . 1 1 70 70 THR N N 70 115.500 115.500 115.165 0.335 25588 6076 1 8 . 1 1 70 70 THR HA H 70 4.317 4.317 3.928 0.389 25588 6077 1 8 . 1 1 70 70 THR C C 70 173.400 173.400 176.391 -2.991 25588 6078 1 8 . 1 1 70 70 THR CA C 70 63.720 63.720 66.739 -3.019 25588 6079 1 8 . 1 1 70 70 THR CB C 70 65.630 65.630 68.613 -2.983 25588 6080 1 8 . 1 1 70 70 THR H H 70 7.476 7.476 7.675 -0.199 25588 6081 1 8 . 1 1 71 71 MET N N 71 121.700 121.700 121.479 0.221 25588 6082 1 8 . 1 1 71 71 MET HA H 71 3.758 3.758 3.965 -0.207 25588 6083 1 8 . 1 1 71 71 MET C C 71 175.600 175.600 177.569 -1.969 25588 6084 1 8 . 1 1 71 71 MET CA C 71 56.370 56.370 59.129 -2.759 25588 6085 1 8 . 1 1 71 71 MET CB C 71 30.590 30.590 32.523 -1.933 25588 6086 1 8 . 1 1 71 71 MET H H 71 7.774 7.774 8.358 -0.584 25588 6087 1 8 . 1 1 72 72 MET N N 72 116.900 116.900 117.488 -0.588 25588 6088 1 8 . 1 1 72 72 MET HA H 72 3.993 3.993 3.949 0.044 25588 6089 1 8 . 1 1 72 72 MET C C 72 175.900 175.900 178.680 -2.780 25588 6090 1 8 . 1 1 72 72 MET CA C 72 53.200 53.200 57.500 -4.300 25588 6091 1 8 . 1 1 72 72 MET CB C 72 28.520 28.520 31.083 -2.563 25588 6092 1 8 . 1 1 72 72 MET H H 72 8.082 8.082 8.230 -0.148 25588 6093 1 8 . 1 1 73 73 ALA N N 73 122.300 122.300 121.627 0.673 25588 6094 1 8 . 1 1 73 73 ALA HA H 73 4.074 4.074 4.011 0.063 25588 6095 1 8 . 1 1 73 73 ALA C C 73 177.200 177.200 179.427 -2.227 25588 6096 1 8 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.873 -2.903 25588 6097 1 8 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.524 -2.784 25588 6098 1 8 . 1 1 73 73 ALA H H 73 8.149 8.149 7.881 0.268 25588 6099 1 8 . 1 1 74 74 ARG N N 74 116.600 116.600 117.621 -1.021 25588 6100 1 8 . 1 1 74 74 ARG C C 74 175.200 175.200 178.397 -3.197 25588 6101 1 8 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.442 -2.882 25588 6102 1 8 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.387 -2.737 25588 6103 1 8 . 1 1 74 74 ARG H H 74 7.564 7.564 7.427 0.137 25588 6104 1 8 . 1 1 75 75 LYS N N 75 118.800 118.800 117.133 1.667 25588 6105 1 8 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.117 0.078 25588 6106 1 8 . 1 1 75 75 LYS C C 75 175.100 175.100 177.473 -2.373 25588 6107 1 8 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.659 -2.929 25588 6108 1 8 . 1 1 75 75 LYS H H 75 7.668 7.668 8.235 -0.567 25588 6109 1 8 . 1 1 76 76 MET N N 76 118.300 118.300 118.110 0.190 25588 6110 1 8 . 1 1 76 76 MET HA H 76 4.331 4.331 4.574 -0.243 25588 6111 1 8 . 1 1 76 76 MET C C 76 173.900 173.900 174.759 -0.859 25588 6112 1 8 . 1 1 76 76 MET CA C 76 54.010 54.010 53.012 0.998 25588 6113 1 8 . 1 1 76 76 MET H H 76 7.861 7.861 7.776 0.085 25588 6114 1 8 . 1 1 77 77 LYS N N 77 120.200 120.200 123.669 -3.469 25588 6115 1 8 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.293 0.005 25588 6116 1 8 . 1 1 77 77 LYS C C 77 173.800 173.800 176.769 -2.969 25588 6117 1 8 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.946 -1.876 25588 6118 1 8 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.769 -3.399 25588 6119 1 8 . 1 1 77 77 LYS H H 77 7.797 7.797 8.454 -0.657 25588 6120 1 8 . 1 1 78 78 ASP N N 78 121.400 121.400 123.697 -2.297 25588 6121 1 8 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.397 0.276 25588 6122 1 8 . 1 1 78 78 ASP C C 78 173.900 173.900 177.000 -3.100 25588 6123 1 8 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.684 -3.784 25588 6124 1 8 . 1 1 78 78 ASP CB C 78 38.510 38.510 40.962 -2.451 25588 6125 1 8 . 1 1 78 78 ASP H H 78 8.191 8.191 8.572 -0.381 25588 6126 1 8 . 1 1 79 79 THR N N 79 114.600 114.600 107.023 7.577 25588 6127 1 8 . 1 1 79 79 THR HA H 79 4.263 4.263 4.254 0.009 25588 6128 1 8 . 1 1 79 79 THR C C 79 171.900 171.900 174.825 -2.925 25588 6129 1 8 . 1 1 79 79 THR CA C 79 59.510 59.510 63.811 -4.301 25588 6130 1 8 . 1 1 79 79 THR CB C 79 67.090 67.090 68.974 -1.884 25588 6131 1 8 . 1 1 79 79 THR H H 79 8.063 8.063 8.241 -0.178 25588 6132 1 8 . 1 1 80 80 ASP N N 80 123.100 123.100 122.315 0.785 25588 6133 1 8 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.670 0.042 25588 6134 1 8 . 1 1 80 80 ASP C C 80 173.900 173.900 177.748 -3.848 25588 6135 1 8 . 1 1 80 80 ASP CA C 80 51.900 51.900 54.739 -2.839 25588 6136 1 8 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.911 -1.241 25588 6137 1 8 . 1 1 80 80 ASP H H 80 8.423 8.423 8.521 -0.098 25588 6138 1 8 . 1 1 81 81 SER N N 81 116.900 116.900 116.650 0.250 25588 6139 1 8 . 1 1 81 81 SER HA H 81 4.498 4.498 4.155 0.343 25588 6140 1 8 . 1 1 81 81 SER C C 81 172.700 172.700 175.896 -3.196 25588 6141 1 8 . 1 1 81 81 SER CA C 81 56.360 56.360 61.831 -5.471 25588 6142 1 8 . 1 1 81 81 SER CB C 81 61.310 61.310 62.946 -1.636 25588 6143 1 8 . 1 1 81 81 SER H H 81 8.357 8.357 7.939 0.417 25588 6144 1 8 . 1 1 82 82 GLU N N 82 122.800 122.800 122.016 0.784 25588 6145 1 8 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.840 0.288 25588 6146 1 8 . 1 1 82 82 GLU C C 82 175.300 175.300 177.945 -2.645 25588 6147 1 8 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.487 -3.217 25588 6148 1 8 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.300 -2.550 25588 6149 1 8 . 1 1 82 82 GLU H H 82 8.532 8.532 8.035 0.497 25588 6150 1 8 . 1 1 83 83 GLU N N 83 119.400 119.400 117.393 2.007 25588 6151 1 8 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.133 -0.099 25588 6152 1 8 . 1 1 83 83 GLU C C 83 176.000 176.000 179.658 -3.658 25588 6153 1 8 . 1 1 83 83 GLU CA C 83 57.070 57.070 59.057 -1.988 25588 6154 1 8 . 1 1 83 83 GLU H H 83 8.365 8.365 7.703 0.662 25588 6155 1 8 . 1 1 84 84 GLU N N 84 118.700 118.700 120.487 -1.787 25588 6156 1 8 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.147 -0.000 25588 6157 1 8 . 1 1 84 84 GLU C C 84 177.000 177.000 179.296 -2.296 25588 6158 1 8 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.770 -2.100 25588 6159 1 8 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.187 -2.387 25588 6160 1 8 . 1 1 84 84 GLU H H 84 8.073 8.073 7.737 0.336 25588 6161 1 8 . 1 1 85 85 ILE N N 85 122.200 122.200 119.705 2.495 25588 6162 1 8 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.704 0.290 25588 6163 1 8 . 1 1 85 85 ILE C C 85 175.300 175.300 177.250 -1.950 25588 6164 1 8 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.109 -1.979 25588 6165 1 8 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.444 -2.944 25588 6166 1 8 . 1 1 85 85 ILE H H 85 8.043 8.043 8.816 -0.773 25588 6167 1 8 . 1 1 86 86 ARG N N 86 121.700 121.700 120.030 1.670 25588 6168 1 8 . 1 1 86 86 ARG C C 86 176.700 176.700 178.361 -1.661 25588 6169 1 8 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.871 -2.511 25588 6170 1 8 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.936 -2.886 25588 6171 1 8 . 1 1 86 86 ARG H H 86 8.415 8.415 7.792 0.623 25588 6172 1 8 . 1 1 87 87 GLU N N 87 118.600 118.600 118.690 -0.090 25588 6173 1 8 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.147 -0.038 25588 6174 1 8 . 1 1 87 87 GLU C C 87 175.900 175.900 178.174 -2.274 25588 6175 1 8 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.864 -2.434 25588 6176 1 8 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.291 -2.741 25588 6177 1 8 . 1 1 87 87 GLU H H 87 8.056 8.056 7.804 0.252 25588 6178 1 8 . 1 1 88 88 ALA N N 88 122.000 122.000 122.018 -0.018 25588 6179 1 8 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.099 0.119 25588 6180 1 8 . 1 1 88 88 ALA C C 88 176.600 176.600 179.659 -3.059 25588 6181 1 8 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.730 -2.280 25588 6182 1 8 . 1 1 88 88 ALA CB C 88 15.300 15.300 17.824 -2.524 25588 6183 1 8 . 1 1 88 88 ALA H H 88 7.934 7.934 7.415 0.519 25588 6184 1 8 . 1 1 89 89 PHE N N 89 118.900 118.900 119.847 -0.947 25588 6185 1 8 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.298 -1.147 25588 6186 1 8 . 1 1 89 89 PHE C C 89 173.800 173.800 177.290 -3.490 25588 6187 1 8 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.081 -1.581 25588 6188 1 8 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.046 -2.676 25588 6189 1 8 . 1 1 89 89 PHE H H 89 8.537 8.537 7.975 0.562 25588 6190 1 8 . 1 1 90 90 ARG N N 90 115.600 115.600 119.376 -3.776 25588 6191 1 8 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.832 0.032 25588 6192 1 8 . 1 1 90 90 ARG C C 90 175.500 175.500 178.323 -2.823 25588 6193 1 8 . 1 1 90 90 ARG CA C 90 56.110 56.110 58.935 -2.825 25588 6194 1 8 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.246 -2.596 25588 6195 1 8 . 1 1 90 90 ARG H H 90 7.656 7.656 7.529 0.127 25588 6196 1 8 . 1 1 91 91 VAL N N 91 118.300 118.300 118.670 -0.370 25588 6197 1 8 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.689 -0.202 25588 6198 1 8 . 1 1 91 91 VAL C C 91 174.700 174.700 177.672 -2.972 25588 6199 1 8 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.073 -3.063 25588 6200 1 8 . 1 1 91 91 VAL H H 91 7.496 7.496 7.657 -0.161 25588 6201 1 8 . 1 1 92 92 PHE N N 92 116.300 116.300 118.056 -1.756 25588 6202 1 8 . 1 1 92 92 PHE C C 92 174.300 174.300 175.770 -1.470 25588 6203 1 8 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.271 -2.861 25588 6204 1 8 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.815 -2.195 25588 6205 1 8 . 1 1 92 92 PHE H H 92 7.460 7.460 8.152 -0.692 25588 6206 1 8 . 1 1 93 93 ASP N N 93 116.900 116.900 116.820 0.080 25588 6207 1 8 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.685 -0.181 25588 6208 1 8 . 1 1 93 93 ASP C C 93 174.900 174.900 175.606 -0.706 25588 6209 1 8 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.808 -3.268 25588 6210 1 8 . 1 1 93 93 ASP H H 93 7.821 7.821 7.734 0.087 25588 6211 1 8 . 1 1 94 94 LYS N N 94 125.900 125.900 124.851 1.049 25588 6212 1 8 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.054 -0.166 25588 6213 1 8 . 1 1 94 94 LYS C C 94 175.700 175.700 177.470 -1.770 25588 6214 1 8 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.668 -2.258 25588 6215 1 8 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.557 -2.388 25588 6216 1 8 . 1 1 94 94 LYS H H 94 7.689 7.689 8.517 -0.828 25588 6217 1 8 . 1 1 95 95 ASP N N 95 114.000 114.000 115.994 -1.994 25588 6218 1 8 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.356 0.198 25588 6219 1 8 . 1 1 95 95 ASP C C 95 175.100 175.100 178.246 -3.146 25588 6220 1 8 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.210 -4.890 25588 6221 1 8 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.747 -3.757 25588 6222 1 8 . 1 1 95 95 ASP H H 95 8.179 8.179 8.097 0.082 25588 6223 1 8 . 1 1 96 96 GLY N N 96 109.300 109.300 109.719 -0.419 25588 6224 1 8 . 1 1 96 96 GLY C C 96 172.500 172.500 175.101 -2.601 25588 6225 1 8 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.833 -2.333 25588 6226 1 8 . 1 1 96 96 GLY H H 96 7.765 7.765 8.900 -1.135 25588 6227 1 8 . 1 1 97 97 ASN N N 97 119.600 119.600 122.489 -2.889 25588 6228 1 8 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.603 0.041 25588 6229 1 8 . 1 1 97 97 ASN C C 97 173.400 173.400 175.504 -2.104 25588 6230 1 8 . 1 1 97 97 ASN CA C 97 50.070 50.070 53.800 -3.730 25588 6231 1 8 . 1 1 97 97 ASN CB C 97 35.520 35.520 39.241 -3.721 25588 6232 1 8 . 1 1 97 97 ASN H H 97 8.302 8.302 8.320 -0.018 25588 6233 1 8 . 1 1 98 98 GLY N N 98 113.000 113.000 106.568 6.432 25588 6234 1 8 . 1 1 98 98 GLY C C 98 169.800 169.800 172.361 -2.561 25588 6235 1 8 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.395 -1.885 25588 6236 1 8 . 1 1 98 98 GLY H H 98 10.620 10.620 7.520 3.100 25588 6237 1 8 . 1 1 99 99 TYR N N 99 115.900 115.900 118.056 -2.156 25588 6238 1 8 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.699 0.337 25588 6239 1 8 . 1 1 99 99 TYR C C 99 171.900 171.900 175.847 -3.947 25588 6240 1 8 . 1 1 99 99 TYR CA C 99 53.390 53.390 57.453 -4.063 25588 6241 1 8 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.477 -0.947 25588 6242 1 8 . 1 1 99 99 TYR H H 99 7.597 7.597 8.097 -0.500 25588 6243 1 8 . 1 1 100 100 ILE N N 100 127.400 127.400 123.929 3.471 25588 6244 1 8 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.627 0.152 25588 6245 1 8 . 1 1 100 100 ILE C C 100 172.900 172.900 176.204 -3.304 25588 6246 1 8 . 1 1 100 100 ILE CA C 100 57.660 57.660 60.698 -3.038 25588 6247 1 8 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.728 -2.778 25588 6248 1 8 . 1 1 100 100 ILE H H 100 10.120 10.120 8.419 1.701 25588 6249 1 8 . 1 1 101 101 SER N N 101 123.800 123.800 123.378 0.422 25588 6250 1 8 . 1 1 101 101 SER C C 101 172.600 172.600 175.532 -2.932 25588 6251 1 8 . 1 1 101 101 SER CA C 101 53.180 53.180 56.944 -3.764 25588 6252 1 8 . 1 1 101 101 SER CB C 101 63.970 63.970 65.462 -1.492 25588 6253 1 8 . 1 1 101 101 SER H H 101 8.944 8.944 8.228 0.716 25588 6254 1 8 . 1 1 102 102 ALA N N 102 122.900 122.900 123.604 -0.704 25588 6255 1 8 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.029 -0.115 25588 6256 1 8 . 1 1 102 102 ALA C C 102 176.700 176.700 178.855 -2.155 25588 6257 1 8 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.475 -2.175 25588 6258 1 8 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.324 -2.874 25588 6259 1 8 . 1 1 102 102 ALA H H 102 9.178 9.178 8.723 0.455 25588 6260 1 8 . 1 1 103 103 ALA N N 103 118.400 118.400 120.485 -2.085 25588 6261 1 8 . 1 1 103 103 ALA C C 103 178.700 178.700 179.942 -1.242 25588 6262 1 8 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.119 -2.569 25588 6263 1 8 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.266 -2.386 25588 6264 1 8 . 1 1 103 103 ALA H H 103 8.205 8.205 8.391 -0.186 25588 6265 1 8 . 1 1 104 104 GLU N N 104 119.700 119.700 118.428 1.272 25588 6266 1 8 . 1 1 104 104 GLU C C 104 176.600 176.600 178.895 -2.295 25588 6267 1 8 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.883 -2.243 25588 6268 1 8 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.615 -2.975 25588 6269 1 8 . 1 1 104 104 GLU H H 104 7.835 7.835 7.690 0.145 25588 6270 1 8 . 1 1 105 105 LEU N N 105 121.000 121.000 121.388 -0.388 25588 6271 1 8 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.084 0.015 25588 6272 1 8 . 1 1 105 105 LEU C C 105 175.800 175.800 178.070 -2.270 25588 6273 1 8 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.735 -2.075 25588 6274 1 8 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.897 -7.337 25588 6275 1 8 . 1 1 105 105 LEU H H 105 8.571 8.571 8.086 0.485 25588 6276 1 8 . 1 1 106 106 ARG N N 106 117.500 117.500 118.960 -1.460 25588 6277 1 8 . 1 1 106 106 ARG C C 106 176.000 176.000 178.275 -2.275 25588 6278 1 8 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.419 -3.189 25588 6279 1 8 . 1 1 106 106 ARG H H 106 8.522 8.522 8.191 0.331 25588 6280 1 8 . 1 1 107 107 HIS N N 107 119.000 119.000 117.680 1.320 25588 6281 1 8 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.356 -0.070 25588 6282 1 8 . 1 1 107 107 HIS C C 107 174.900 174.900 177.323 -2.423 25588 6283 1 8 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.712 -2.622 25588 6284 1 8 . 1 1 107 107 HIS H H 107 7.889 7.889 7.900 -0.011 25588 6285 1 8 . 1 1 108 108 VAL N N 108 118.900 118.900 120.045 -1.145 25588 6286 1 8 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.617 -0.132 25588 6287 1 8 . 1 1 108 108 VAL C C 108 175.400 175.400 178.299 -2.899 25588 6288 1 8 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.504 -2.984 25588 6289 1 8 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.456 -2.256 25588 6290 1 8 . 1 1 108 108 VAL H H 108 7.958 7.958 7.538 0.419 25588 6291 1 8 . 1 1 109 109 MET N N 109 116.400 116.400 117.930 -1.530 25588 6292 1 8 . 1 1 109 109 MET HA H 109 4.331 4.331 4.189 0.142 25588 6293 1 8 . 1 1 109 109 MET C C 109 176.000 176.000 178.819 -2.819 25588 6294 1 8 . 1 1 109 109 MET CA C 109 54.910 54.910 57.922 -3.012 25588 6295 1 8 . 1 1 109 109 MET CB C 109 28.750 28.750 31.450 -2.700 25588 6296 1 8 . 1 1 109 109 MET H H 109 8.247 8.247 8.795 -0.548 25588 6297 1 8 . 1 1 110 110 THR N N 110 114.900 114.900 115.832 -0.932 25588 6298 1 8 . 1 1 110 110 THR HA H 110 4.152 4.152 3.957 0.195 25588 6299 1 8 . 1 1 110 110 THR C C 110 175.000 175.000 176.649 -1.649 25588 6300 1 8 . 1 1 110 110 THR CA C 110 63.270 63.270 66.423 -3.153 25588 6301 1 8 . 1 1 110 110 THR CB C 110 66.230 66.230 68.536 -2.306 25588 6302 1 8 . 1 1 110 110 THR H H 110 8.125 8.125 8.242 -0.117 25588 6303 1 8 . 1 1 111 111 ASN N N 111 122.200 122.200 118.845 3.355 25588 6304 1 8 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.449 -0.012 25588 6305 1 8 . 1 1 111 111 ASN C C 111 173.700 173.700 177.191 -3.491 25588 6306 1 8 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.292 -2.222 25588 6307 1 8 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.667 -2.847 25588 6308 1 8 . 1 1 111 111 ASN H H 111 7.867 7.867 7.685 0.182 25588 6309 1 8 . 1 1 112 112 LEU N N 112 119.100 119.100 120.014 -0.914 25588 6310 1 8 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.060 0.273 25588 6311 1 8 . 1 1 112 112 LEU C C 112 174.700 174.700 176.697 -1.997 25588 6312 1 8 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.409 -3.649 25588 6313 1 8 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.641 -3.191 25588 6314 1 8 . 1 1 112 112 LEU H H 112 7.850 7.850 7.322 0.528 25588 6315 1 8 . 1 1 113 113 GLY N N 113 106.800 106.800 104.334 2.466 25588 6316 1 8 . 1 1 113 113 GLY C C 113 171.700 171.700 172.288 -0.588 25588 6317 1 8 . 1 1 113 113 GLY CA C 113 42.790 42.790 44.945 -2.155 25588 6318 1 8 . 1 1 113 113 GLY H H 113 7.830 7.830 7.415 0.415 25588 6319 1 8 . 1 1 114 114 GLU N N 114 120.600 120.600 119.837 0.763 25588 6320 1 8 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.653 -0.253 25588 6321 1 8 . 1 1 114 114 GLU C C 114 172.800 172.800 177.226 -4.426 25588 6322 1 8 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.051 -3.381 25588 6323 1 8 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.347 -2.387 25588 6324 1 8 . 1 1 114 114 GLU H H 114 7.914 7.914 8.648 -0.734 25588 6325 1 8 . 1 1 115 115 LYS N N 115 124.000 124.000 120.161 3.839 25588 6326 1 8 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.129 0.228 25588 6327 1 8 . 1 1 115 115 LYS C C 115 173.000 173.000 176.136 -3.136 25588 6328 1 8 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.573 -5.553 25588 6329 1 8 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.881 -3.471 25588 6330 1 8 . 1 1 115 115 LYS H H 115 8.505 8.505 8.476 0.029 25588 6331 1 8 . 1 1 116 116 LEU N N 116 125.000 125.000 116.197 8.803 25588 6332 1 8 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.628 0.131 25588 6333 1 8 . 1 1 116 116 LEU C C 116 175.300 175.300 176.327 -1.027 25588 6334 1 8 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.388 -0.968 25588 6335 1 8 . 1 1 116 116 LEU CB C 116 42.110 42.110 44.826 -2.716 25588 6336 1 8 . 1 1 116 116 LEU H H 116 8.076 8.076 7.633 0.443 25588 6337 1 8 . 1 1 117 117 THR N N 117 114.500 114.500 110.727 3.773 25588 6338 1 8 . 1 1 117 117 THR HA H 117 4.453 4.453 4.248 0.205 25588 6339 1 8 . 1 1 117 117 THR C C 117 172.800 172.800 174.354 -1.554 25588 6340 1 8 . 1 1 117 117 THR CA C 117 57.970 57.970 61.950 -3.980 25588 6341 1 8 . 1 1 117 117 THR CB C 117 68.610 68.610 69.893 -1.283 25588 6342 1 8 . 1 1 117 117 THR H H 117 9.116 9.116 8.298 0.818 25588 6343 1 8 . 1 1 118 118 ASP N N 118 121.000 121.000 119.310 1.690 25588 6344 1 8 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.638 -0.442 25588 6345 1 8 . 1 1 118 118 ASP C C 118 175.900 175.900 177.530 -1.630 25588 6346 1 8 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.281 -0.920 25588 6347 1 8 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.978 -3.869 25588 6348 1 8 . 1 1 118 118 ASP H H 118 8.847 8.847 8.659 0.188 25588 6349 1 8 . 1 1 119 119 GLU N N 119 119.100 119.100 119.089 0.011 25588 6350 1 8 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.414 -0.344 25588 6351 1 8 . 1 1 119 119 GLU C C 119 176.500 176.500 177.401 -0.901 25588 6352 1 8 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.438 -1.158 25588 6353 1 8 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.584 -3.154 25588 6354 1 8 . 1 1 119 119 GLU H H 119 8.626 8.626 8.416 0.210 25588 6355 1 8 . 1 1 120 120 GLU N N 120 120.500 120.500 118.465 2.035 25588 6356 1 8 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.062 -0.072 25588 6357 1 8 . 1 1 120 120 GLU C C 120 177.400 177.400 178.685 -1.285 25588 6358 1 8 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.327 -2.736 25588 6359 1 8 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.142 -0.352 25588 6360 1 8 . 1 1 120 120 GLU H H 120 7.724 7.724 8.783 -1.059 25588 6361 1 8 . 1 1 121 121 VAL N N 121 121.100 121.100 115.139 5.961 25588 6362 1 8 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.822 -0.235 25588 6363 1 8 . 1 1 121 121 VAL C C 121 174.600 174.600 177.547 -2.947 25588 6364 1 8 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.449 -1.139 25588 6365 1 8 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.221 -2.841 25588 6366 1 8 . 1 1 121 121 VAL H H 121 8.062 8.062 7.909 0.153 25588 6367 1 8 . 1 1 122 122 ASP N N 122 119.600 119.600 121.724 -2.124 25588 6368 1 8 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.330 -0.021 25588 6369 1 8 . 1 1 122 122 ASP C C 122 176.500 176.500 178.825 -2.325 25588 6370 1 8 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.408 -2.408 25588 6371 1 8 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.105 -2.205 25588 6372 1 8 . 1 1 122 122 ASP H H 122 8.007 8.007 7.679 0.328 25588 6373 1 8 . 1 1 123 123 GLU N N 123 119.300 119.300 119.175 0.125 25588 6374 1 8 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.030 -0.032 25588 6375 1 8 . 1 1 123 123 GLU C C 123 175.400 175.400 178.828 -3.428 25588 6376 1 8 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.819 -2.159 25588 6377 1 8 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.394 -2.604 25588 6378 1 8 . 1 1 123 123 GLU H H 123 7.967 7.967 8.051 -0.084 25588 6379 1 8 . 1 1 124 124 MET N N 124 119.600 119.600 120.505 -0.905 25588 6380 1 8 . 1 1 124 124 MET HA H 124 4.033 4.033 4.206 -0.173 25588 6381 1 8 . 1 1 124 124 MET C C 124 176.500 176.500 178.620 -2.120 25588 6382 1 8 . 1 1 124 124 MET CA C 124 56.970 56.970 58.143 -1.173 25588 6383 1 8 . 1 1 124 124 MET CB C 124 30.470 30.470 32.423 -1.953 25588 6384 1 8 . 1 1 124 124 MET H H 124 7.789 7.789 7.924 -0.135 25588 6385 1 8 . 1 1 125 125 ILE N N 125 118.500 118.500 117.001 1.499 25588 6386 1 8 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.726 -0.227 25588 6387 1 8 . 1 1 125 125 ILE C C 125 174.600 174.600 177.665 -3.065 25588 6388 1 8 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.873 -2.683 25588 6389 1 8 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.513 -4.003 25588 6390 1 8 . 1 1 125 125 ILE H H 125 7.940 7.940 7.979 -0.039 25588 6391 1 8 . 1 1 126 126 ARG N N 126 118.300 118.300 118.991 -0.691 25588 6392 1 8 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.114 -0.106 25588 6393 1 8 . 1 1 126 126 ARG C C 126 176.800 176.800 178.421 -1.621 25588 6394 1 8 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.086 -1.986 25588 6395 1 8 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.585 -3.015 25588 6396 1 8 . 1 1 126 126 ARG H H 126 8.168 8.168 7.585 0.583 25588 6397 1 8 . 1 1 127 127 GLU N N 127 116.300 116.300 119.747 -3.447 25588 6398 1 8 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.199 -0.216 25588 6399 1 8 . 1 1 127 127 GLU C C 127 174.700 174.700 177.594 -2.894 25588 6400 1 8 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.224 -2.344 25588 6401 1 8 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.513 -2.573 25588 6402 1 8 . 1 1 127 127 GLU H H 127 7.918 7.918 8.265 -0.347 25588 6403 1 8 . 1 1 128 128 ALA N N 128 119.100 119.100 121.229 -2.129 25588 6404 1 8 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.173 0.245 25588 6405 1 8 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.084 -4.574 25588 6406 1 8 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.840 -0.101 25588 6407 1 8 . 1 1 128 128 ALA H H 128 7.354 7.354 7.560 -0.206 25588 6408 1 8 . 1 1 129 129 ASP N N 129 117.400 117.400 117.271 0.129 25588 6409 1 8 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.660 -0.158 25588 6410 1 8 . 1 1 129 129 ASP C C 129 173.400 173.400 176.303 -2.903 25588 6411 1 8 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.074 -1.664 25588 6412 1 8 . 1 1 129 129 ASP CB C 129 37.700 37.700 43.024 -5.324 25588 6413 1 8 . 1 1 129 129 ASP H H 129 7.871 7.871 7.557 0.314 25588 6414 1 8 . 1 1 130 130 ILE N N 130 128.000 128.000 117.370 10.630 25588 6415 1 8 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.216 -0.299 25588 6416 1 8 . 1 1 130 130 ILE C C 130 175.300 175.300 176.131 -0.831 25588 6417 1 8 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.303 -0.593 25588 6418 1 8 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.881 -2.071 25588 6419 1 8 . 1 1 130 130 ILE H H 130 8.384 8.384 8.307 0.077 25588 6420 1 8 . 1 1 131 131 ASP N N 131 116.800 116.800 122.129 -5.329 25588 6421 1 8 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.465 0.085 25588 6422 1 8 . 1 1 131 131 ASP C C 131 175.600 175.600 177.678 -2.078 25588 6423 1 8 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.382 -5.162 25588 6424 1 8 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.002 -3.772 25588 6425 1 8 . 1 1 131 131 ASP H H 131 8.281 8.281 7.922 0.359 25588 6426 1 8 . 1 1 132 132 GLY N N 132 108.500 108.500 106.838 1.662 25588 6427 1 8 . 1 1 132 132 GLY C C 132 172.600 172.600 174.924 -2.324 25588 6428 1 8 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.417 -1.567 25588 6429 1 8 . 1 1 132 132 GLY H H 132 7.575 7.575 8.805 -1.230 25588 6430 1 8 . 1 1 133 133 ASP N N 133 120.800 120.800 119.759 1.041 25588 6431 1 8 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.541 -0.077 25588 6432 1 8 . 1 1 133 133 ASP C C 133 174.900 174.900 177.037 -2.137 25588 6433 1 8 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.544 -2.554 25588 6434 1 8 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.472 -2.882 25588 6435 1 8 . 1 1 133 133 ASP H H 133 8.326 8.326 8.104 0.222 25588 6436 1 8 . 1 1 134 134 GLY N N 134 112.900 112.900 108.365 4.535 25588 6437 1 8 . 1 1 134 134 GLY C C 134 170.200 170.200 172.977 -2.777 25588 6438 1 8 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.535 -2.485 25588 6439 1 8 . 1 1 134 134 GLY H H 134 10.310 10.310 8.403 1.907 25588 6440 1 8 . 1 1 135 135 GLN N N 135 115.400 115.400 121.916 -6.516 25588 6441 1 8 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.635 0.226 25588 6442 1 8 . 1 1 135 135 GLN C C 135 172.100 172.100 173.528 -1.428 25588 6443 1 8 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.132 -3.602 25588 6444 1 8 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.431 -2.410 25588 6445 1 8 . 1 1 135 135 GLN H H 135 7.937 7.937 8.055 -0.118 25588 6446 1 8 . 1 1 136 136 VAL N N 136 125.500 125.500 122.785 2.715 25588 6447 1 8 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.533 0.657 25588 6448 1 8 . 1 1 136 136 VAL C C 136 173.200 173.200 174.800 -1.600 25588 6449 1 8 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.798 -1.698 25588 6450 1 8 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.020 -3.100 25588 6451 1 8 . 1 1 136 136 VAL H H 136 9.112 9.112 8.776 0.336 25588 6452 1 8 . 1 1 137 137 ASN N N 137 129.000 129.000 122.752 6.248 25588 6453 1 8 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.256 -0.024 25588 6454 1 8 . 1 1 137 137 ASN C C 137 172.200 172.200 175.117 -2.917 25588 6455 1 8 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.811 -3.351 25588 6456 1 8 . 1 1 137 137 ASN CB C 137 35.690 35.690 42.051 -6.361 25588 6457 1 8 . 1 1 137 137 ASN H H 137 9.509 9.509 7.911 1.598 25588 6458 1 8 . 1 1 138 138 TYR N N 138 118.400 118.400 122.564 -4.164 25588 6459 1 8 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.425 -1.001 25588 6460 1 8 . 1 1 138 138 TYR C C 138 173.500 173.500 177.354 -3.854 25588 6461 1 8 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.501 -2.471 25588 6462 1 8 . 1 1 138 138 TYR H H 138 8.420 8.420 9.248 -0.828 25588 6463 1 8 . 1 1 139 139 GLU N N 139 118.400 118.400 118.415 -0.015 25588 6464 1 8 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.831 -0.190 25588 6465 1 8 . 1 1 139 139 GLU C C 139 177.900 177.900 178.961 -1.061 25588 6466 1 8 . 1 1 139 139 GLU CA C 139 57.740 57.740 59.924 -2.184 25588 6467 1 8 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.697 -2.307 25588 6468 1 8 . 1 1 139 139 GLU H H 139 8.066 8.066 8.927 -0.861 25588 6469 1 8 . 1 1 140 140 GLU N N 140 119.900 119.900 119.067 0.833 25588 6470 1 8 . 1 1 140 140 GLU C C 140 176.700 176.700 178.663 -1.963 25588 6471 1 8 . 1 1 140 140 GLU CA C 140 55.900 55.900 59.001 -3.101 25588 6472 1 8 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.115 -1.915 25588 6473 1 8 . 1 1 140 140 GLU H H 140 8.728 8.728 8.393 0.335 25588 6474 1 8 . 1 1 141 141 PHE N N 141 124.600 124.600 119.365 5.235 25588 6475 1 8 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.144 -0.160 25588 6476 1 8 . 1 1 141 141 PHE C C 141 174.200 174.200 177.601 -3.401 25588 6477 1 8 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.809 -2.849 25588 6478 1 8 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.554 -1.284 25588 6479 1 8 . 1 1 141 141 PHE H H 141 8.920 8.920 7.669 1.251 25588 6480 1 8 . 1 1 142 142 VAL N N 142 119.300 119.300 117.870 1.430 25588 6481 1 8 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.489 -0.368 25588 6482 1 8 . 1 1 142 142 VAL C C 142 176.900 176.900 177.367 -0.467 25588 6483 1 8 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.370 -1.940 25588 6484 1 8 . 1 1 142 142 VAL H H 142 8.536 8.536 7.240 1.296 25588 6485 1 8 . 1 1 143 143 GLN N N 143 118.200 118.200 116.475 1.725 25588 6486 1 8 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.087 -0.236 25588 6487 1 8 . 1 1 143 143 GLN C C 143 175.300 175.300 177.910 -2.610 25588 6488 1 8 . 1 1 143 143 GLN CA C 143 56.260 56.260 56.935 -0.675 25588 6489 1 8 . 1 1 143 143 GLN H H 143 7.404 7.404 7.345 0.059 25588 6490 1 8 . 1 1 144 144 MET N N 144 119.400 119.400 118.688 0.712 25588 6491 1 8 . 1 1 144 144 MET HA H 144 4.107 4.107 4.188 -0.081 25588 6492 1 8 . 1 1 144 144 MET C C 144 175.400 175.400 176.134 -0.734 25588 6493 1 8 . 1 1 144 144 MET CA C 144 55.500 55.500 58.221 -2.721 25588 6494 1 8 . 1 1 144 144 MET CB C 144 30.460 30.460 33.430 -2.970 25588 6495 1 8 . 1 1 144 144 MET H H 144 7.878 7.878 7.662 0.216 25588 6496 1 8 . 1 1 145 145 MET N N 145 115.000 115.000 116.754 -1.754 25588 6497 1 8 . 1 1 145 145 MET HA H 145 4.281 4.281 4.632 -0.351 25588 6498 1 8 . 1 1 145 145 MET C C 145 174.900 174.900 174.454 0.446 25588 6499 1 8 . 1 1 145 145 MET CA C 145 52.740 52.740 55.277 -2.537 25588 6500 1 8 . 1 1 145 145 MET H H 145 7.852 7.852 7.453 0.399 25588 6501 1 8 . 1 1 146 146 THR N N 146 111.100 111.100 116.285 -5.185 25588 6502 1 8 . 1 1 146 146 THR HA H 146 4.306 4.306 4.427 -0.121 25588 6503 1 8 . 1 1 146 146 THR C C 146 171.600 171.600 173.926 -2.326 25588 6504 1 8 . 1 1 146 146 THR CA C 146 59.830 59.830 62.367 -2.537 25588 6505 1 8 . 1 1 146 146 THR CB C 146 67.510 67.510 69.084 -1.574 25588 6506 1 8 . 1 1 146 146 THR H H 146 7.571 7.571 8.145 -0.574 25588 6507 1 8 . 1 1 147 147 ALA N N 147 126.300 126.300 128.274 -1.974 25588 6508 1 8 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.135 0.165 25588 6509 1 8 . 1 1 147 147 ALA C C 147 174.000 174.000 176.772 -2.772 25588 6510 1 8 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.021 -3.831 25588 6511 1 8 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.496 -3.016 25588 6512 1 8 . 1 1 147 147 ALA H H 147 7.723 7.723 8.076 -0.353 25588 6513 1 9 . 1 1 2 2 ASP N N 2 118.400 118.400 121.736 -3.336 25588 6514 1 9 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.634 -0.020 25588 6515 1 9 . 1 1 2 2 ASP C C 2 173.000 173.000 176.585 -3.585 25588 6516 1 9 . 1 1 2 2 ASP CA C 2 52.020 52.020 53.869 -1.849 25588 6517 1 9 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.723 -2.903 25588 6518 1 9 . 1 1 2 2 ASP H H 2 8.311 8.311 8.405 -0.094 25588 6519 1 9 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.280 0.074 25588 6520 1 9 . 1 1 3 3 GLN C C 3 173.000 173.000 175.963 -2.963 25588 6521 1 9 . 1 1 3 3 GLN CA C 3 52.910 52.910 55.688 -2.778 25588 6522 1 9 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.243 -2.093 25588 6523 1 9 . 1 1 3 3 GLN H H 3 8.321 8.321 8.600 -0.279 25588 6524 1 9 . 1 1 4 4 LEU N N 4 123.200 123.200 121.782 1.418 25588 6525 1 9 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.452 0.198 25588 6526 1 9 . 1 1 4 4 LEU C C 4 175.100 175.100 176.430 -1.330 25588 6527 1 9 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.419 -2.629 25588 6528 1 9 . 1 1 4 4 LEU CB C 4 40.860 40.860 42.465 -1.605 25588 6529 1 9 . 1 1 4 4 LEU H H 4 8.268 8.268 8.122 0.146 25588 6530 1 9 . 1 1 5 5 THR N N 5 113.000 113.000 116.276 -3.276 25588 6531 1 9 . 1 1 5 5 THR HA H 5 4.754 4.754 4.455 0.299 25588 6532 1 9 . 1 1 5 5 THR C C 5 172.800 172.800 175.529 -2.729 25588 6533 1 9 . 1 1 5 5 THR CA C 5 57.880 57.880 60.382 -2.502 25588 6534 1 9 . 1 1 5 5 THR CB C 5 68.480 68.480 70.677 -2.197 25588 6535 1 9 . 1 1 5 5 THR H H 5 8.682 8.682 8.192 0.490 25588 6536 1 9 . 1 1 6 6 GLU N N 6 120.500 120.500 122.088 -1.588 25588 6537 1 9 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.009 -0.046 25588 6538 1 9 . 1 1 6 6 GLU C C 6 176.800 176.800 178.379 -1.579 25588 6539 1 9 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.344 -1.914 25588 6540 1 9 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.506 -2.986 25588 6541 1 9 . 1 1 6 6 GLU H H 6 8.990 8.990 9.007 -0.017 25588 6542 1 9 . 1 1 7 7 GLU N N 7 119.600 119.600 118.606 0.994 25588 6543 1 9 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.026 0.043 25588 6544 1 9 . 1 1 7 7 GLU C C 7 176.500 176.500 179.025 -2.525 25588 6545 1 9 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.466 -2.086 25588 6546 1 9 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.283 -2.853 25588 6547 1 9 . 1 1 7 7 GLU H H 7 8.668 8.668 8.745 -0.077 25588 6548 1 9 . 1 1 8 8 GLN N N 8 120.100 120.100 117.999 2.101 25588 6549 1 9 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.330 -0.461 25588 6550 1 9 . 1 1 8 8 GLN C C 8 175.700 175.700 178.718 -3.018 25588 6551 1 9 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.429 -2.479 25588 6552 1 9 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.887 -2.077 25588 6553 1 9 . 1 1 8 8 GLN H H 8 7.721 7.721 7.639 0.082 25588 6554 1 9 . 1 1 9 9 ILE N N 9 119.600 119.600 119.852 -0.252 25588 6555 1 9 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.693 0.019 25588 6556 1 9 . 1 1 9 9 ILE C C 9 175.100 175.100 177.909 -2.809 25588 6557 1 9 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.628 -1.098 25588 6558 1 9 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.833 -2.753 25588 6559 1 9 . 1 1 9 9 ILE H H 9 8.373 8.373 7.316 1.057 25588 6560 1 9 . 1 1 10 10 ALA N N 10 121.300 121.300 122.458 -1.158 25588 6561 1 9 . 1 1 10 10 ALA C C 10 178.400 178.400 179.232 -0.832 25588 6562 1 9 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.497 -2.707 25588 6563 1 9 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.929 -2.569 25588 6564 1 9 . 1 1 10 10 ALA H H 10 7.984 7.984 8.362 -0.378 25588 6565 1 9 . 1 1 11 11 GLU N N 11 119.500 119.500 119.137 0.363 25588 6566 1 9 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.885 0.262 25588 6567 1 9 . 1 1 11 11 GLU C C 11 177.900 177.900 179.194 -1.294 25588 6568 1 9 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.295 -2.625 25588 6569 1 9 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.353 -2.853 25588 6570 1 9 . 1 1 11 11 GLU H H 11 7.779 7.779 7.913 -0.134 25588 6571 1 9 . 1 1 12 12 PHE N N 12 120.200 120.200 117.551 2.649 25588 6572 1 9 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.210 0.810 25588 6573 1 9 . 1 1 12 12 PHE C C 12 176.100 176.100 177.629 -1.529 25588 6574 1 9 . 1 1 12 12 PHE CA C 12 56.610 56.610 60.806 -4.197 25588 6575 1 9 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.817 -3.537 25588 6576 1 9 . 1 1 12 12 PHE H H 12 8.562 8.562 8.015 0.547 25588 6577 1 9 . 1 1 13 13 LYS N N 13 123.500 123.500 119.535 3.965 25588 6578 1 9 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.062 -0.073 25588 6579 1 9 . 1 1 13 13 LYS C C 13 176.700 176.700 179.541 -2.841 25588 6580 1 9 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.407 -1.887 25588 6581 1 9 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.494 -3.184 25588 6582 1 9 . 1 1 13 13 LYS H H 13 9.161 9.161 7.473 1.688 25588 6583 1 9 . 1 1 14 14 GLU N N 14 120.400 120.400 118.990 1.410 25588 6584 1 9 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.175 -0.050 25588 6585 1 9 . 1 1 14 14 GLU C C 14 176.800 176.800 178.808 -2.008 25588 6586 1 9 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.823 -2.093 25588 6587 1 9 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.266 -2.666 25588 6588 1 9 . 1 1 14 14 GLU H H 14 7.786 7.786 8.760 -0.974 25588 6589 1 9 . 1 1 15 15 ALA N N 15 122.600 122.600 122.002 0.598 25588 6590 1 9 . 1 1 15 15 ALA HA H 15 4.283 4.283 4.086 0.197 25588 6591 1 9 . 1 1 15 15 ALA C C 15 176.400 176.400 179.034 -2.634 25588 6592 1 9 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.552 -1.962 25588 6593 1 9 . 1 1 15 15 ALA CB C 15 15.540 15.540 17.787 -2.247 25588 6594 1 9 . 1 1 15 15 ALA H H 15 7.981 7.981 7.925 0.056 25588 6595 1 9 . 1 1 16 16 PHE N N 16 119.400 119.400 119.811 -0.411 25588 6596 1 9 . 1 1 16 16 PHE HA H 16 3.206 3.206 3.952 -0.746 25588 6597 1 9 . 1 1 16 16 PHE C C 16 174.600 174.600 176.945 -2.345 25588 6598 1 9 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.205 -1.845 25588 6599 1 9 . 1 1 16 16 PHE CB C 16 37.040 37.040 38.876 -1.836 25588 6600 1 9 . 1 1 16 16 PHE H H 16 8.796 8.796 7.923 0.873 25588 6601 1 9 . 1 1 17 17 SER N N 17 112.600 112.600 114.811 -2.211 25588 6602 1 9 . 1 1 17 17 SER HA H 17 4.028 4.028 3.882 0.146 25588 6603 1 9 . 1 1 17 17 SER C C 17 172.400 172.400 176.319 -3.919 25588 6604 1 9 . 1 1 17 17 SER CA C 17 58.820 58.820 61.757 -2.937 25588 6605 1 9 . 1 1 17 17 SER CB C 17 60.680 60.680 62.720 -2.040 25588 6606 1 9 . 1 1 17 17 SER H H 17 7.898 7.898 7.860 0.038 25588 6607 1 9 . 1 1 18 18 LEU N N 18 121.000 121.000 122.780 -1.780 25588 6608 1 9 . 1 1 18 18 LEU HA H 18 3.995 3.995 4.045 -0.050 25588 6609 1 9 . 1 1 18 18 LEU C C 18 175.300 175.300 178.324 -3.024 25588 6610 1 9 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.813 -3.323 25588 6611 1 9 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.811 -2.941 25588 6612 1 9 . 1 1 18 18 LEU H H 18 7.426 7.426 7.181 0.245 25588 6613 1 9 . 1 1 19 19 PHE N N 19 115.200 115.200 117.077 -1.877 25588 6614 1 9 . 1 1 19 19 PHE C C 19 174.100 174.100 178.313 -4.213 25588 6615 1 9 . 1 1 19 19 PHE CA C 19 56.640 56.640 60.151 -3.511 25588 6616 1 9 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.491 -0.241 25588 6617 1 9 . 1 1 19 19 PHE H H 19 7.309 7.309 8.480 -1.171 25588 6618 1 9 . 1 1 20 20 ASP N N 20 117.700 117.700 119.038 -1.338 25588 6619 1 9 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.511 0.029 25588 6620 1 9 . 1 1 20 20 ASP C C 20 174.500 174.500 178.276 -3.776 25588 6621 1 9 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.893 -5.173 25588 6622 1 9 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.638 -4.438 25588 6623 1 9 . 1 1 20 20 ASP H H 20 7.814 7.814 7.776 0.038 25588 6624 1 9 . 1 1 21 21 LYS N N 21 124.400 124.400 119.228 5.172 25588 6625 1 9 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.853 0.101 25588 6626 1 9 . 1 1 21 21 LYS C C 21 175.500 175.500 177.632 -2.132 25588 6627 1 9 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.059 -3.169 25588 6628 1 9 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.236 -2.176 25588 6629 1 9 . 1 1 21 21 LYS H H 21 7.652 7.652 7.691 -0.039 25588 6630 1 9 . 1 1 22 22 ASP N N 22 113.900 113.900 116.903 -3.003 25588 6631 1 9 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.360 0.225 25588 6632 1 9 . 1 1 22 22 ASP C C 22 175.000 175.000 177.077 -2.077 25588 6633 1 9 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.645 -5.514 25588 6634 1 9 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.915 -4.005 25588 6635 1 9 . 1 1 22 22 ASP H H 22 8.056 8.056 7.685 0.371 25588 6636 1 9 . 1 1 23 23 GLY N N 23 109.200 109.200 108.893 0.307 25588 6637 1 9 . 1 1 23 23 GLY C C 23 172.300 172.300 173.588 -1.288 25588 6638 1 9 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.489 0.101 25588 6639 1 9 . 1 1 23 23 GLY H H 23 7.660 7.660 7.726 -0.066 25588 6640 1 9 . 1 1 24 24 ASP N N 24 118.600 118.600 119.713 -1.113 25588 6641 1 9 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.467 0.150 25588 6642 1 9 . 1 1 24 24 ASP C C 24 174.200 174.200 175.782 -1.582 25588 6643 1 9 . 1 1 24 24 ASP CA C 24 49.970 49.970 54.955 -4.985 25588 6644 1 9 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.129 -6.039 25588 6645 1 9 . 1 1 24 24 ASP H H 24 8.052 8.052 8.414 -0.362 25588 6646 1 9 . 1 1 25 25 GLY N N 25 113.400 113.400 106.818 6.582 25588 6647 1 9 . 1 1 25 25 GLY C C 25 170.600 170.600 173.171 -2.571 25588 6648 1 9 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.120 -1.960 25588 6649 1 9 . 1 1 25 25 GLY H H 25 10.570 10.570 7.634 2.936 25588 6650 1 9 . 1 1 26 26 THR N N 26 109.100 109.100 117.057 -7.957 25588 6651 1 9 . 1 1 26 26 THR HA H 26 5.271 5.271 4.597 0.674 25588 6652 1 9 . 1 1 26 26 THR C C 26 170.200 170.200 172.613 -2.413 25588 6653 1 9 . 1 1 26 26 THR CA C 26 57.170 57.170 62.011 -4.841 25588 6654 1 9 . 1 1 26 26 THR CB C 26 69.920 69.920 72.589 -2.669 25588 6655 1 9 . 1 1 26 26 THR H H 26 7.661 7.661 8.171 -0.510 25588 6656 1 9 . 1 1 27 27 ILE N N 27 127.100 127.100 125.669 1.431 25588 6657 1 9 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.853 0.118 25588 6658 1 9 . 1 1 27 27 ILE C C 27 173.400 173.400 174.838 -1.438 25588 6659 1 9 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.080 -2.260 25588 6660 1 9 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.942 -3.222 25588 6661 1 9 . 1 1 27 27 ILE H H 27 9.766 9.766 8.352 1.414 25588 6662 1 9 . 1 1 28 28 THR N N 28 116.500 116.500 117.350 -0.850 25588 6663 1 9 . 1 1 28 28 THR HA H 28 4.802 4.802 5.016 -0.214 25588 6664 1 9 . 1 1 28 28 THR C C 28 173.900 173.900 175.942 -2.042 25588 6665 1 9 . 1 1 28 28 THR CA C 28 56.980 56.980 59.661 -2.681 25588 6666 1 9 . 1 1 28 28 THR CB C 28 69.730 69.730 72.019 -2.289 25588 6667 1 9 . 1 1 28 28 THR H H 28 8.458 8.458 8.380 0.078 25588 6668 1 9 . 1 1 29 29 THR N N 29 112.900 112.900 112.675 0.225 25588 6669 1 9 . 1 1 29 29 THR HA H 29 4.169 4.169 3.983 0.186 25588 6670 1 9 . 1 1 29 29 THR C C 29 174.500 174.500 176.479 -1.979 25588 6671 1 9 . 1 1 29 29 THR CA C 29 63.940 63.940 66.211 -2.271 25588 6672 1 9 . 1 1 29 29 THR CB C 29 65.170 65.170 68.468 -3.298 25588 6673 1 9 . 1 1 29 29 THR H H 29 9.066 9.066 8.773 0.293 25588 6674 1 9 . 1 1 30 30 LYS N N 30 120.800 120.800 121.737 -0.937 25588 6675 1 9 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.913 0.198 25588 6676 1 9 . 1 1 30 30 LYS C C 30 177.200 177.200 178.815 -1.615 25588 6677 1 9 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.453 -2.923 25588 6678 1 9 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.195 -2.235 25588 6679 1 9 . 1 1 30 30 LYS H H 30 7.664 7.664 7.640 0.024 25588 6680 1 9 . 1 1 31 31 GLU N N 31 121.400 121.400 119.191 2.209 25588 6681 1 9 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.810 0.255 25588 6682 1 9 . 1 1 31 31 GLU C C 31 176.500 176.500 179.141 -2.641 25588 6683 1 9 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.660 -2.079 25588 6684 1 9 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.321 -2.161 25588 6685 1 9 . 1 1 31 31 GLU H H 31 7.635 7.635 7.340 0.295 25588 6686 1 9 . 1 1 32 32 LEU N N 32 120.600 120.600 121.744 -1.144 25588 6687 1 9 . 1 1 32 32 LEU HA H 32 4.082 4.082 3.719 0.363 25588 6688 1 9 . 1 1 32 32 LEU C C 32 176.300 176.300 178.377 -2.077 25588 6689 1 9 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.014 -1.604 25588 6690 1 9 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.767 -1.797 25588 6691 1 9 . 1 1 32 32 LEU H H 32 8.699 8.699 7.557 1.142 25588 6692 1 9 . 1 1 33 33 GLY N N 33 105.600 105.600 104.343 1.257 25588 6693 1 9 . 1 1 33 33 GLY C C 33 172.500 172.500 176.154 -3.654 25588 6694 1 9 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.521 -1.801 25588 6695 1 9 . 1 1 33 33 GLY H H 33 8.616 8.616 8.837 -0.221 25588 6696 1 9 . 1 1 34 34 THR N N 34 118.000 118.000 119.049 -1.049 25588 6697 1 9 . 1 1 34 34 THR HA H 34 3.913 3.913 4.013 -0.100 25588 6698 1 9 . 1 1 34 34 THR C C 34 174.500 174.500 176.571 -2.071 25588 6699 1 9 . 1 1 34 34 THR CA C 34 64.250 64.250 65.748 -1.498 25588 6700 1 9 . 1 1 34 34 THR CB C 34 66.100 66.100 68.492 -2.392 25588 6701 1 9 . 1 1 34 34 THR H H 34 7.867 7.867 7.283 0.584 25588 6702 1 9 . 1 1 35 35 VAL N N 35 122.100 122.100 122.414 -0.314 25588 6703 1 9 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.772 -0.314 25588 6704 1 9 . 1 1 35 35 VAL C C 35 176.500 176.500 177.116 -0.616 25588 6705 1 9 . 1 1 35 35 VAL CA C 35 63.630 63.630 66.302 -2.672 25588 6706 1 9 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.054 -2.934 25588 6707 1 9 . 1 1 35 35 VAL H H 35 7.613 7.613 8.660 -1.047 25588 6708 1 9 . 1 1 36 36 MET N N 36 118.400 118.400 117.549 0.851 25588 6709 1 9 . 1 1 36 36 MET HA H 36 4.095 4.095 4.044 0.051 25588 6710 1 9 . 1 1 36 36 MET C C 36 176.500 176.500 178.015 -1.515 25588 6711 1 9 . 1 1 36 36 MET CA C 36 56.420 56.420 57.577 -1.157 25588 6712 1 9 . 1 1 36 36 MET H H 36 8.440 8.440 7.511 0.929 25588 6713 1 9 . 1 1 37 37 ARG N N 37 119.000 119.000 118.851 0.149 25588 6714 1 9 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.023 0.778 25588 6715 1 9 . 1 1 37 37 ARG C C 37 178.500 178.500 179.565 -1.065 25588 6716 1 9 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.387 -2.967 25588 6717 1 9 . 1 1 37 37 ARG H H 37 8.474 8.474 7.806 0.668 25588 6718 1 9 . 1 1 38 38 SER N N 38 118.800 118.800 116.449 2.351 25588 6719 1 9 . 1 1 38 38 SER HA H 38 4.380 4.380 4.220 0.160 25588 6720 1 9 . 1 1 38 38 SER C C 38 172.200 172.200 176.310 -4.110 25588 6721 1 9 . 1 1 38 38 SER CA C 38 58.930 58.930 61.260 -2.330 25588 6722 1 9 . 1 1 38 38 SER CB C 38 60.200 60.200 63.160 -2.959 25588 6723 1 9 . 1 1 38 38 SER H H 38 7.899 7.899 7.795 0.104 25588 6724 1 9 . 1 1 39 39 LEU N N 39 120.600 120.600 118.834 1.766 25588 6725 1 9 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.478 0.017 25588 6726 1 9 . 1 1 39 39 LEU C C 39 174.800 174.800 177.813 -3.013 25588 6727 1 9 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.255 -2.325 25588 6728 1 9 . 1 1 39 39 LEU H H 39 7.364 7.364 7.851 -0.487 25588 6729 1 9 . 1 1 40 40 GLY N N 40 106.800 106.800 108.929 -2.129 25588 6730 1 9 . 1 1 40 40 GLY C C 40 171.700 171.700 174.193 -2.493 25588 6731 1 9 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.492 -3.522 25588 6732 1 9 . 1 1 40 40 GLY H H 40 7.862 7.862 7.935 -0.073 25588 6733 1 9 . 1 1 41 41 GLN N N 41 118.400 118.400 122.510 -4.110 25588 6734 1 9 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.477 0.003 25588 6735 1 9 . 1 1 41 41 GLN C C 41 171.400 171.400 173.513 -2.113 25588 6736 1 9 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.094 -3.204 25588 6737 1 9 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.172 -3.092 25588 6738 1 9 . 1 1 41 41 GLN H H 41 7.788 7.788 8.466 -0.678 25588 6739 1 9 . 1 1 42 42 ASN N N 42 116.300 116.300 123.840 -7.540 25588 6740 1 9 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.368 -0.175 25588 6741 1 9 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.930 -1.310 25588 6742 1 9 . 1 1 42 42 ASN H H 42 8.665 8.665 8.133 0.532 25588 6743 1 9 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.071 0.664 25588 6744 1 9 . 1 1 43 43 PRO C C 43 175.100 175.100 178.561 -3.461 25588 6745 1 9 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.675 -5.895 25588 6746 1 9 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.566 -2.175 25588 6747 1 9 . 1 1 44 44 THR N N 44 112.900 112.900 112.876 0.024 25588 6748 1 9 . 1 1 44 44 THR HA H 44 4.707 4.707 3.958 0.749 25588 6749 1 9 . 1 1 44 44 THR C C 44 172.600 172.600 176.839 -4.239 25588 6750 1 9 . 1 1 44 44 THR CA C 44 57.830 57.830 66.402 -8.572 25588 6751 1 9 . 1 1 44 44 THR CB C 44 68.490 68.490 68.217 0.273 25588 6752 1 9 . 1 1 44 44 THR H H 44 8.702 8.702 7.906 0.796 25588 6753 1 9 . 1 1 45 45 GLU N N 45 120.800 120.800 120.002 0.798 25588 6754 1 9 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.295 -0.320 25588 6755 1 9 . 1 1 45 45 GLU C C 45 176.300 176.300 178.554 -2.254 25588 6756 1 9 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.509 -1.049 25588 6757 1 9 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.560 -3.140 25588 6758 1 9 . 1 1 45 45 GLU H H 45 8.789 8.789 8.451 0.338 25588 6759 1 9 . 1 1 46 46 ALA N N 46 120.700 120.700 123.959 -3.259 25588 6760 1 9 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.002 0.087 25588 6761 1 9 . 1 1 46 46 ALA C C 46 177.700 177.700 179.630 -1.930 25588 6762 1 9 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.429 -3.019 25588 6763 1 9 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.934 -2.284 25588 6764 1 9 . 1 1 46 46 ALA H H 46 8.241 8.241 7.441 0.800 25588 6765 1 9 . 1 1 47 47 GLU N N 47 118.900 118.900 117.962 0.938 25588 6766 1 9 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.157 -0.155 25588 6767 1 9 . 1 1 47 47 GLU C C 47 177.500 177.500 179.380 -1.880 25588 6768 1 9 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.736 -2.326 25588 6769 1 9 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.711 -2.651 25588 6770 1 9 . 1 1 47 47 GLU H H 47 7.682 7.682 7.968 -0.286 25588 6771 1 9 . 1 1 48 48 LEU N N 48 120.600 120.600 120.114 0.486 25588 6772 1 9 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.012 0.049 25588 6773 1 9 . 1 1 48 48 LEU C C 48 175.900 175.900 178.739 -2.839 25588 6774 1 9 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.143 -1.873 25588 6775 1 9 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.393 -1.653 25588 6776 1 9 . 1 1 48 48 LEU H H 48 8.169 8.169 7.456 0.713 25588 6777 1 9 . 1 1 49 49 GLN N N 49 118.200 118.200 120.043 -1.843 25588 6778 1 9 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.871 -0.044 25588 6779 1 9 . 1 1 49 49 GLN C C 49 175.900 175.900 177.714 -1.814 25588 6780 1 9 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.242 -3.272 25588 6781 1 9 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.769 -2.249 25588 6782 1 9 . 1 1 49 49 GLN H H 49 8.179 8.179 8.501 -0.322 25588 6783 1 9 . 1 1 50 50 ASP N N 50 119.900 119.900 119.190 0.710 25588 6784 1 9 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.460 -0.077 25588 6785 1 9 . 1 1 50 50 ASP C C 50 175.900 175.900 178.210 -2.310 25588 6786 1 9 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.603 -1.653 25588 6787 1 9 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.652 -2.862 25588 6788 1 9 . 1 1 50 50 ASP H H 50 8.037 8.037 7.709 0.328 25588 6789 1 9 . 1 1 51 51 MET N N 51 119.300 119.300 120.742 -1.442 25588 6790 1 9 . 1 1 51 51 MET HA H 51 4.028 4.028 4.099 -0.071 25588 6791 1 9 . 1 1 51 51 MET C C 51 176.200 176.200 178.297 -2.097 25588 6792 1 9 . 1 1 51 51 MET CA C 51 56.710 56.710 59.264 -2.554 25588 6793 1 9 . 1 1 51 51 MET CB C 51 30.570 30.570 32.735 -2.165 25588 6794 1 9 . 1 1 51 51 MET H H 51 7.855 7.855 7.280 0.575 25588 6795 1 9 . 1 1 52 52 ILE N N 52 118.200 118.200 119.434 -1.234 25588 6796 1 9 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.550 -0.061 25588 6797 1 9 . 1 1 52 52 ILE C C 52 175.100 175.100 177.980 -2.880 25588 6798 1 9 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.664 -3.444 25588 6799 1 9 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.713 1.617 25588 6800 1 9 . 1 1 52 52 ILE H H 52 7.701 7.701 8.933 -1.232 25588 6801 1 9 . 1 1 53 53 ASN N N 53 117.700 117.700 117.702 -0.002 25588 6802 1 9 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.423 -0.062 25588 6803 1 9 . 1 1 53 53 ASN C C 53 174.800 174.800 177.696 -2.896 25588 6804 1 9 . 1 1 53 53 ASN CA C 53 53.290 53.290 55.980 -2.689 25588 6805 1 9 . 1 1 53 53 ASN CB C 53 35.440 35.440 37.834 -2.394 25588 6806 1 9 . 1 1 53 53 ASN H H 53 8.529 8.529 7.912 0.617 25588 6807 1 9 . 1 1 54 54 GLU N N 54 116.400 116.400 120.571 -4.171 25588 6808 1 9 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.081 -0.060 25588 6809 1 9 . 1 1 54 54 GLU C C 54 175.000 175.000 179.120 -4.120 25588 6810 1 9 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.370 -3.130 25588 6811 1 9 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.760 -1.930 25588 6812 1 9 . 1 1 54 54 GLU H H 54 7.573 7.573 8.049 -0.476 25588 6813 1 9 . 1 1 55 55 VAL N N 55 108.400 108.400 118.958 -10.558 25588 6814 1 9 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.846 0.600 25588 6815 1 9 . 1 1 55 55 VAL C C 55 173.100 173.100 177.564 -4.464 25588 6816 1 9 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.334 -7.244 25588 6817 1 9 . 1 1 55 55 VAL H H 55 7.204 7.204 7.842 -0.638 25588 6818 1 9 . 1 1 56 56 ASP N N 56 126.900 126.900 119.496 7.404 25588 6819 1 9 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.668 -0.030 25588 6820 1 9 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.701 -3.651 25588 6821 1 9 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.970 -3.490 25588 6822 1 9 . 1 1 56 56 ASP H H 56 7.649 7.649 8.109 -0.460 25588 6823 1 9 . 1 1 57 57 ALA N N 57 131.900 131.900 121.292 10.608 25588 6824 1 9 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.227 -0.045 25588 6825 1 9 . 1 1 57 57 ALA C C 57 176.000 176.000 177.779 -1.779 25588 6826 1 9 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.284 -1.594 25588 6827 1 9 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.070 -1.170 25588 6828 1 9 . 1 1 57 57 ALA H H 57 8.458 8.458 7.858 0.600 25588 6829 1 9 . 1 1 58 58 ASP N N 58 113.800 113.800 118.493 -4.693 25588 6830 1 9 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.429 0.182 25588 6831 1 9 . 1 1 58 58 ASP C C 58 175.200 175.200 176.955 -1.755 25588 6832 1 9 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.644 -5.604 25588 6833 1 9 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.742 -3.542 25588 6834 1 9 . 1 1 58 58 ASP H H 58 8.125 8.125 7.748 0.377 25588 6835 1 9 . 1 1 59 59 GLY N N 59 108.400 108.400 106.736 1.664 25588 6836 1 9 . 1 1 59 59 GLY C C 59 172.500 172.500 173.453 -0.953 25588 6837 1 9 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.257 -0.597 25588 6838 1 9 . 1 1 59 59 GLY H H 59 7.550 7.550 7.851 -0.301 25588 6839 1 9 . 1 1 60 60 ASN N N 60 120.600 120.600 117.373 3.227 25588 6840 1 9 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.772 -0.285 25588 6841 1 9 . 1 1 60 60 ASN C C 60 174.800 174.800 174.895 -0.095 25588 6842 1 9 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.508 -1.328 25588 6843 1 9 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.515 -1.675 25588 6844 1 9 . 1 1 60 60 ASN H H 60 8.356 8.356 8.014 0.342 25588 6845 1 9 . 1 1 61 61 GLY N N 61 113.300 113.300 107.299 6.001 25588 6846 1 9 . 1 1 61 61 GLY C C 61 171.100 171.100 173.770 -2.670 25588 6847 1 9 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.913 -3.083 25588 6848 1 9 . 1 1 61 61 GLY H H 61 10.610 10.610 8.754 1.856 25588 6849 1 9 . 1 1 62 62 THR N N 62 112.900 112.900 111.971 0.929 25588 6850 1 9 . 1 1 62 62 THR HA H 62 4.756 4.756 5.022 -0.266 25588 6851 1 9 . 1 1 62 62 THR C C 62 170.500 170.500 173.457 -2.957 25588 6852 1 9 . 1 1 62 62 THR CA C 62 57.050 57.050 59.561 -2.511 25588 6853 1 9 . 1 1 62 62 THR CB C 62 69.100 69.100 72.154 -3.054 25588 6854 1 9 . 1 1 62 62 THR H H 62 8.111 8.111 7.755 0.356 25588 6855 1 9 . 1 1 63 63 ILE N N 63 123.900 123.900 123.987 -0.087 25588 6856 1 9 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.384 0.768 25588 6857 1 9 . 1 1 63 63 ILE C C 63 172.900 172.900 174.863 -1.963 25588 6858 1 9 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.370 -3.010 25588 6859 1 9 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.298 -4.438 25588 6860 1 9 . 1 1 63 63 ILE H H 63 8.905 8.905 9.098 -0.193 25588 6861 1 9 . 1 1 64 64 ASP N N 64 128.200 128.200 128.635 -0.435 25588 6862 1 9 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.747 0.595 25588 6863 1 9 . 1 1 64 64 ASP C C 64 173.700 173.700 177.133 -3.433 25588 6864 1 9 . 1 1 64 64 ASP CA C 64 49.470 49.470 53.971 -4.501 25588 6865 1 9 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.424 -1.774 25588 6866 1 9 . 1 1 64 64 ASP H H 64 8.778 8.778 8.753 0.025 25588 6867 1 9 . 1 1 65 65 PHE N N 65 118.700 118.700 119.104 -0.404 25588 6868 1 9 . 1 1 65 65 PHE CA C 65 61.020 61.020 62.127 -1.107 25588 6869 1 9 . 1 1 65 65 PHE H H 65 8.903 8.903 8.562 0.341 25588 6870 1 9 . 1 1 66 66 PRO C C 66 177.400 177.400 177.834 -0.434 25588 6871 1 9 . 1 1 66 66 PRO CA C 66 63.960 63.960 65.981 -2.022 25588 6872 1 9 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.410 -3.349 25588 6873 1 9 . 1 1 67 67 GLU N N 67 117.600 117.600 115.725 1.875 25588 6874 1 9 . 1 1 67 67 GLU C C 67 176.100 176.100 178.779 -2.679 25588 6875 1 9 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.483 -2.413 25588 6876 1 9 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.308 -2.558 25588 6877 1 9 . 1 1 67 67 GLU H H 67 7.894 7.894 8.510 -0.616 25588 6878 1 9 . 1 1 68 68 PHE N N 68 123.500 123.500 122.059 1.441 25588 6879 1 9 . 1 1 68 68 PHE C C 68 174.400 174.400 176.605 -2.205 25588 6880 1 9 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.275 -2.665 25588 6881 1 9 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.771 -1.251 25588 6882 1 9 . 1 1 68 68 PHE H H 68 8.826 8.826 7.708 1.118 25588 6883 1 9 . 1 1 69 69 LEU N N 69 119.000 119.000 117.955 1.045 25588 6884 1 9 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.614 -0.280 25588 6885 1 9 . 1 1 69 69 LEU C C 69 176.600 176.600 178.947 -2.347 25588 6886 1 9 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.003 -2.653 25588 6887 1 9 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.365 -3.185 25588 6888 1 9 . 1 1 69 69 LEU H H 69 8.321 8.321 7.979 0.342 25588 6889 1 9 . 1 1 70 70 THR N N 70 115.500 115.500 115.408 0.092 25588 6890 1 9 . 1 1 70 70 THR HA H 70 4.317 4.317 3.863 0.454 25588 6891 1 9 . 1 1 70 70 THR C C 70 173.400 173.400 176.303 -2.903 25588 6892 1 9 . 1 1 70 70 THR CA C 70 63.720 63.720 66.800 -3.080 25588 6893 1 9 . 1 1 70 70 THR CB C 70 65.630 65.630 68.507 -2.877 25588 6894 1 9 . 1 1 70 70 THR H H 70 7.476 7.476 7.478 -0.002 25588 6895 1 9 . 1 1 71 71 MET N N 71 121.700 121.700 121.383 0.317 25588 6896 1 9 . 1 1 71 71 MET HA H 71 3.758 3.758 3.983 -0.225 25588 6897 1 9 . 1 1 71 71 MET C C 71 175.600 175.600 177.695 -2.095 25588 6898 1 9 . 1 1 71 71 MET CA C 71 56.370 56.370 59.214 -2.844 25588 6899 1 9 . 1 1 71 71 MET CB C 71 30.590 30.590 32.610 -2.020 25588 6900 1 9 . 1 1 71 71 MET H H 71 7.774 7.774 8.405 -0.631 25588 6901 1 9 . 1 1 72 72 MET N N 72 116.900 116.900 117.600 -0.700 25588 6902 1 9 . 1 1 72 72 MET HA H 72 3.993 3.993 3.960 0.033 25588 6903 1 9 . 1 1 72 72 MET C C 72 175.900 175.900 178.503 -2.603 25588 6904 1 9 . 1 1 72 72 MET CA C 72 53.200 53.200 57.500 -4.300 25588 6905 1 9 . 1 1 72 72 MET CB C 72 28.520 28.520 30.957 -2.437 25588 6906 1 9 . 1 1 72 72 MET H H 72 8.082 8.082 8.128 -0.046 25588 6907 1 9 . 1 1 73 73 ALA N N 73 122.300 122.300 122.909 -0.609 25588 6908 1 9 . 1 1 73 73 ALA HA H 73 4.074 4.074 4.073 0.001 25588 6909 1 9 . 1 1 73 73 ALA C C 73 177.200 177.200 179.625 -2.425 25588 6910 1 9 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.978 -3.008 25588 6911 1 9 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.422 -2.682 25588 6912 1 9 . 1 1 73 73 ALA H H 73 8.149 8.149 8.296 -0.147 25588 6913 1 9 . 1 1 74 74 ARG N N 74 116.600 116.600 117.637 -1.037 25588 6914 1 9 . 1 1 74 74 ARG C C 74 175.200 175.200 178.647 -3.447 25588 6915 1 9 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.785 -3.225 25588 6916 1 9 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.258 -2.608 25588 6917 1 9 . 1 1 74 74 ARG H H 74 7.564 7.564 7.840 -0.276 25588 6918 1 9 . 1 1 75 75 LYS N N 75 118.800 118.800 116.894 1.906 25588 6919 1 9 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.178 0.017 25588 6920 1 9 . 1 1 75 75 LYS C C 75 175.100 175.100 177.344 -2.244 25588 6921 1 9 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.616 -2.886 25588 6922 1 9 . 1 1 75 75 LYS H H 75 7.668 7.668 8.200 -0.532 25588 6923 1 9 . 1 1 76 76 MET N N 76 118.300 118.300 117.961 0.339 25588 6924 1 9 . 1 1 76 76 MET HA H 76 4.331 4.331 4.614 -0.283 25588 6925 1 9 . 1 1 76 76 MET C C 76 173.900 173.900 174.300 -0.400 25588 6926 1 9 . 1 1 76 76 MET CA C 76 54.010 54.010 52.622 1.388 25588 6927 1 9 . 1 1 76 76 MET H H 76 7.861 7.861 8.223 -0.362 25588 6928 1 9 . 1 1 77 77 LYS N N 77 120.200 120.200 123.696 -3.496 25588 6929 1 9 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.313 -0.015 25588 6930 1 9 . 1 1 77 77 LYS C C 77 173.800 173.800 176.740 -2.940 25588 6931 1 9 . 1 1 77 77 LYS CA C 77 54.070 54.070 56.081 -2.011 25588 6932 1 9 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.724 -3.354 25588 6933 1 9 . 1 1 77 77 LYS H H 77 7.797 7.797 8.422 -0.625 25588 6934 1 9 . 1 1 78 78 ASP N N 78 121.400 121.400 121.070 0.330 25588 6935 1 9 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.407 0.266 25588 6936 1 9 . 1 1 78 78 ASP C C 78 173.900 173.900 177.571 -3.671 25588 6937 1 9 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.312 -3.412 25588 6938 1 9 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.297 -2.787 25588 6939 1 9 . 1 1 78 78 ASP H H 78 8.191 8.191 8.586 -0.395 25588 6940 1 9 . 1 1 79 79 THR N N 79 114.600 114.600 110.241 4.359 25588 6941 1 9 . 1 1 79 79 THR HA H 79 4.263 4.263 4.140 0.123 25588 6942 1 9 . 1 1 79 79 THR C C 79 171.900 171.900 175.615 -3.715 25588 6943 1 9 . 1 1 79 79 THR CA C 79 59.510 59.510 64.496 -4.986 25588 6944 1 9 . 1 1 79 79 THR CB C 79 67.090 67.090 68.845 -1.755 25588 6945 1 9 . 1 1 79 79 THR H H 79 8.063 8.063 8.531 -0.468 25588 6946 1 9 . 1 1 80 80 ASP N N 80 123.100 123.100 122.202 0.898 25588 6947 1 9 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.475 0.237 25588 6948 1 9 . 1 1 80 80 ASP C C 80 173.900 173.900 178.089 -4.189 25588 6949 1 9 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.908 -5.008 25588 6950 1 9 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.803 -1.133 25588 6951 1 9 . 1 1 80 80 ASP H H 80 8.423 8.423 8.640 -0.217 25588 6952 1 9 . 1 1 81 81 SER N N 81 116.900 116.900 115.878 1.022 25588 6953 1 9 . 1 1 81 81 SER HA H 81 4.498 4.498 4.108 0.390 25588 6954 1 9 . 1 1 81 81 SER C C 81 172.700 172.700 176.065 -3.365 25588 6955 1 9 . 1 1 81 81 SER CA C 81 56.360 56.360 61.261 -4.901 25588 6956 1 9 . 1 1 81 81 SER CB C 81 61.310 61.310 62.690 -1.379 25588 6957 1 9 . 1 1 81 81 SER H H 81 8.357 8.357 7.722 0.635 25588 6958 1 9 . 1 1 82 82 GLU N N 82 122.800 122.800 122.537 0.263 25588 6959 1 9 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.834 0.294 25588 6960 1 9 . 1 1 82 82 GLU C C 82 175.300 175.300 178.786 -3.486 25588 6961 1 9 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.611 -3.341 25588 6962 1 9 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.458 -2.708 25588 6963 1 9 . 1 1 82 82 GLU H H 82 8.532 8.532 7.771 0.761 25588 6964 1 9 . 1 1 83 83 GLU N N 83 119.400 119.400 117.035 2.365 25588 6965 1 9 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.120 -0.086 25588 6966 1 9 . 1 1 83 83 GLU C C 83 176.000 176.000 179.091 -3.091 25588 6967 1 9 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.944 -1.874 25588 6968 1 9 . 1 1 83 83 GLU H H 83 8.365 8.365 7.935 0.430 25588 6969 1 9 . 1 1 84 84 GLU N N 84 118.700 118.700 119.399 -0.699 25588 6970 1 9 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.128 0.019 25588 6971 1 9 . 1 1 84 84 GLU C C 84 177.000 177.000 179.487 -2.487 25588 6972 1 9 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.607 -1.937 25588 6973 1 9 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.604 -2.804 25588 6974 1 9 . 1 1 84 84 GLU H H 84 8.073 8.073 7.466 0.607 25588 6975 1 9 . 1 1 85 85 ILE N N 85 122.200 122.200 119.149 3.051 25588 6976 1 9 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.662 0.332 25588 6977 1 9 . 1 1 85 85 ILE C C 85 175.300 175.300 177.420 -2.120 25588 6978 1 9 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.511 -2.381 25588 6979 1 9 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.294 -2.793 25588 6980 1 9 . 1 1 85 85 ILE H H 85 8.043 8.043 8.874 -0.831 25588 6981 1 9 . 1 1 86 86 ARG N N 86 121.700 121.700 119.863 1.837 25588 6982 1 9 . 1 1 86 86 ARG C C 86 176.700 176.700 178.784 -2.084 25588 6983 1 9 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.384 -2.024 25588 6984 1 9 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.353 -2.303 25588 6985 1 9 . 1 1 86 86 ARG H H 86 8.415 8.415 8.136 0.279 25588 6986 1 9 . 1 1 87 87 GLU N N 87 118.600 118.600 119.434 -0.834 25588 6987 1 9 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.138 -0.029 25588 6988 1 9 . 1 1 87 87 GLU C C 87 175.900 175.900 177.688 -1.788 25588 6989 1 9 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.763 -2.333 25588 6990 1 9 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.366 -2.816 25588 6991 1 9 . 1 1 87 87 GLU H H 87 8.056 8.056 7.920 0.136 25588 6992 1 9 . 1 1 88 88 ALA N N 88 122.000 122.000 120.759 1.241 25588 6993 1 9 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.274 -0.056 25588 6994 1 9 . 1 1 88 88 ALA C C 88 176.600 176.600 178.834 -2.234 25588 6995 1 9 . 1 1 88 88 ALA CA C 88 52.450 52.450 53.776 -1.326 25588 6996 1 9 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.128 -2.828 25588 6997 1 9 . 1 1 88 88 ALA H H 88 7.934 7.934 7.393 0.541 25588 6998 1 9 . 1 1 89 89 PHE N N 89 118.900 118.900 120.803 -1.903 25588 6999 1 9 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.142 -0.991 25588 7000 1 9 . 1 1 89 89 PHE C C 89 173.800 173.800 176.709 -2.909 25588 7001 1 9 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.188 -1.688 25588 7002 1 9 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.938 -2.568 25588 7003 1 9 . 1 1 89 89 PHE H H 89 8.537 8.537 7.782 0.755 25588 7004 1 9 . 1 1 90 90 ARG N N 90 115.600 115.600 118.444 -2.844 25588 7005 1 9 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.748 0.116 25588 7006 1 9 . 1 1 90 90 ARG C C 90 175.500 175.500 177.981 -2.481 25588 7007 1 9 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.197 -3.087 25588 7008 1 9 . 1 1 90 90 ARG CB C 90 27.650 27.650 29.974 -2.324 25588 7009 1 9 . 1 1 90 90 ARG H H 90 7.656 7.656 8.181 -0.525 25588 7010 1 9 . 1 1 91 91 VAL N N 91 118.300 118.300 118.060 0.240 25588 7011 1 9 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.688 -0.201 25588 7012 1 9 . 1 1 91 91 VAL C C 91 174.700 174.700 177.768 -3.068 25588 7013 1 9 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.638 -2.628 25588 7014 1 9 . 1 1 91 91 VAL H H 91 7.496 7.496 7.482 0.014 25588 7015 1 9 . 1 1 92 92 PHE N N 92 116.300 116.300 118.465 -2.165 25588 7016 1 9 . 1 1 92 92 PHE C C 92 174.300 174.300 176.003 -1.703 25588 7017 1 9 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.344 -2.934 25588 7018 1 9 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.836 -2.216 25588 7019 1 9 . 1 1 92 92 PHE H H 92 7.460 7.460 8.239 -0.779 25588 7020 1 9 . 1 1 93 93 ASP N N 93 116.900 116.900 117.110 -0.210 25588 7021 1 9 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.727 -0.223 25588 7022 1 9 . 1 1 93 93 ASP C C 93 174.900 174.900 175.660 -0.760 25588 7023 1 9 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.501 -2.961 25588 7024 1 9 . 1 1 93 93 ASP H H 93 7.821 7.821 8.050 -0.229 25588 7025 1 9 . 1 1 94 94 LYS N N 94 125.900 125.900 124.910 0.990 25588 7026 1 9 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.089 -0.201 25588 7027 1 9 . 1 1 94 94 LYS C C 94 175.700 175.700 177.737 -2.037 25588 7028 1 9 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.574 -2.163 25588 7029 1 9 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.542 -2.372 25588 7030 1 9 . 1 1 94 94 LYS H H 94 7.689 7.689 8.526 -0.837 25588 7031 1 9 . 1 1 95 95 ASP N N 95 114.000 114.000 116.941 -2.941 25588 7032 1 9 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.375 0.179 25588 7033 1 9 . 1 1 95 95 ASP C C 95 175.100 175.100 178.242 -3.142 25588 7034 1 9 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.823 -5.503 25588 7035 1 9 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.487 -3.497 25588 7036 1 9 . 1 1 95 95 ASP H H 95 8.179 8.179 7.911 0.268 25588 7037 1 9 . 1 1 96 96 GLY N N 96 109.300 109.300 109.770 -0.470 25588 7038 1 9 . 1 1 96 96 GLY C C 96 172.500 172.500 175.315 -2.815 25588 7039 1 9 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.777 -2.277 25588 7040 1 9 . 1 1 96 96 GLY H H 96 7.765 7.765 8.814 -1.049 25588 7041 1 9 . 1 1 97 97 ASN N N 97 119.600 119.600 122.381 -2.781 25588 7042 1 9 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.581 0.063 25588 7043 1 9 . 1 1 97 97 ASN C C 97 173.400 173.400 175.154 -1.754 25588 7044 1 9 . 1 1 97 97 ASN CA C 97 50.070 50.070 53.886 -3.816 25588 7045 1 9 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.971 -3.451 25588 7046 1 9 . 1 1 97 97 ASN H H 97 8.302 8.302 8.523 -0.221 25588 7047 1 9 . 1 1 98 98 GLY N N 98 113.000 113.000 105.635 7.365 25588 7048 1 9 . 1 1 98 98 GLY C C 98 169.800 169.800 172.308 -2.508 25588 7049 1 9 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.969 -1.459 25588 7050 1 9 . 1 1 98 98 GLY H H 98 10.620 10.620 7.469 3.151 25588 7051 1 9 . 1 1 99 99 TYR N N 99 115.900 115.900 118.304 -2.404 25588 7052 1 9 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.708 0.328 25588 7053 1 9 . 1 1 99 99 TYR C C 99 171.900 171.900 175.999 -4.099 25588 7054 1 9 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.917 -3.527 25588 7055 1 9 . 1 1 99 99 TYR CB C 99 40.530 40.530 40.989 -0.459 25588 7056 1 9 . 1 1 99 99 TYR H H 99 7.597 7.597 7.995 -0.398 25588 7057 1 9 . 1 1 100 100 ILE N N 100 127.400 127.400 124.522 2.878 25588 7058 1 9 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.347 0.432 25588 7059 1 9 . 1 1 100 100 ILE C C 100 172.900 172.900 176.594 -3.694 25588 7060 1 9 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.857 -4.197 25588 7061 1 9 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.784 -2.834 25588 7062 1 9 . 1 1 100 100 ILE H H 100 10.120 10.120 8.347 1.773 25588 7063 1 9 . 1 1 101 101 SER N N 101 123.800 123.800 122.822 0.978 25588 7064 1 9 . 1 1 101 101 SER C C 101 172.600 172.600 175.755 -3.155 25588 7065 1 9 . 1 1 101 101 SER CA C 101 53.180 53.180 56.809 -3.629 25588 7066 1 9 . 1 1 101 101 SER CB C 101 63.970 63.970 65.420 -1.450 25588 7067 1 9 . 1 1 101 101 SER H H 101 8.944 8.944 8.190 0.754 25588 7068 1 9 . 1 1 102 102 ALA N N 102 122.900 122.900 124.278 -1.378 25588 7069 1 9 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.038 -0.124 25588 7070 1 9 . 1 1 102 102 ALA C C 102 176.700 176.700 179.209 -2.509 25588 7071 1 9 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.461 -2.161 25588 7072 1 9 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.172 -2.723 25588 7073 1 9 . 1 1 102 102 ALA H H 102 9.178 9.178 9.045 0.133 25588 7074 1 9 . 1 1 103 103 ALA N N 103 118.400 118.400 120.983 -2.583 25588 7075 1 9 . 1 1 103 103 ALA C C 103 178.700 178.700 179.711 -1.011 25588 7076 1 9 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.812 -2.262 25588 7077 1 9 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.249 -2.369 25588 7078 1 9 . 1 1 103 103 ALA H H 103 8.205 8.205 8.193 0.012 25588 7079 1 9 . 1 1 104 104 GLU N N 104 119.700 119.700 118.837 0.863 25588 7080 1 9 . 1 1 104 104 GLU C C 104 176.600 176.600 178.948 -2.348 25588 7081 1 9 . 1 1 104 104 GLU CA C 104 56.640 56.640 59.069 -2.429 25588 7082 1 9 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.658 -3.018 25588 7083 1 9 . 1 1 104 104 GLU H H 104 7.835 7.835 7.832 0.003 25588 7084 1 9 . 1 1 105 105 LEU N N 105 121.000 121.000 121.074 -0.074 25588 7085 1 9 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.062 0.037 25588 7086 1 9 . 1 1 105 105 LEU C C 105 175.800 175.800 178.092 -2.292 25588 7087 1 9 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.911 -2.251 25588 7088 1 9 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.932 -7.372 25588 7089 1 9 . 1 1 105 105 LEU H H 105 8.571 8.571 8.193 0.378 25588 7090 1 9 . 1 1 106 106 ARG N N 106 117.500 117.500 118.358 -0.858 25588 7091 1 9 . 1 1 106 106 ARG C C 106 176.000 176.000 177.789 -1.789 25588 7092 1 9 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.262 -3.032 25588 7093 1 9 . 1 1 106 106 ARG H H 106 8.522 8.522 7.815 0.707 25588 7094 1 9 . 1 1 107 107 HIS N N 107 119.000 119.000 117.154 1.846 25588 7095 1 9 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.336 -0.050 25588 7096 1 9 . 1 1 107 107 HIS C C 107 174.900 174.900 177.432 -2.532 25588 7097 1 9 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.891 -2.801 25588 7098 1 9 . 1 1 107 107 HIS H H 107 7.889 7.889 7.742 0.147 25588 7099 1 9 . 1 1 108 108 VAL N N 108 118.900 118.900 119.762 -0.862 25588 7100 1 9 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.677 -0.192 25588 7101 1 9 . 1 1 108 108 VAL C C 108 175.400 175.400 178.142 -2.742 25588 7102 1 9 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.245 -2.725 25588 7103 1 9 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.530 -2.330 25588 7104 1 9 . 1 1 108 108 VAL H H 108 7.958 7.958 7.427 0.531 25588 7105 1 9 . 1 1 109 109 MET N N 109 116.400 116.400 117.648 -1.248 25588 7106 1 9 . 1 1 109 109 MET HA H 109 4.331 4.331 4.210 0.121 25588 7107 1 9 . 1 1 109 109 MET C C 109 176.000 176.000 178.809 -2.809 25588 7108 1 9 . 1 1 109 109 MET CA C 109 54.910 54.910 57.787 -2.877 25588 7109 1 9 . 1 1 109 109 MET CB C 109 28.750 28.750 31.210 -2.460 25588 7110 1 9 . 1 1 109 109 MET H H 109 8.247 8.247 8.269 -0.022 25588 7111 1 9 . 1 1 110 110 THR N N 110 114.900 114.900 115.659 -0.759 25588 7112 1 9 . 1 1 110 110 THR HA H 110 4.152 4.152 4.011 0.141 25588 7113 1 9 . 1 1 110 110 THR C C 110 175.000 175.000 175.878 -0.878 25588 7114 1 9 . 1 1 110 110 THR CA C 110 63.270 63.270 65.855 -2.585 25588 7115 1 9 . 1 1 110 110 THR CB C 110 66.230 66.230 68.489 -2.259 25588 7116 1 9 . 1 1 110 110 THR H H 110 8.125 8.125 8.169 -0.044 25588 7117 1 9 . 1 1 111 111 ASN N N 111 122.200 122.200 118.552 3.648 25588 7118 1 9 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.404 0.033 25588 7119 1 9 . 1 1 111 111 ASN C C 111 173.700 173.700 177.522 -3.822 25588 7120 1 9 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.538 -2.468 25588 7121 1 9 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.558 -2.738 25588 7122 1 9 . 1 1 111 111 ASN H H 111 7.867 7.867 7.494 0.373 25588 7123 1 9 . 1 1 112 112 LEU N N 112 119.100 119.100 118.873 0.227 25588 7124 1 9 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.089 0.244 25588 7125 1 9 . 1 1 112 112 LEU C C 112 174.700 174.700 176.989 -2.289 25588 7126 1 9 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.503 -3.743 25588 7127 1 9 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.520 -3.070 25588 7128 1 9 . 1 1 112 112 LEU H H 112 7.850 7.850 7.319 0.531 25588 7129 1 9 . 1 1 113 113 GLY N N 113 106.800 106.800 104.535 2.265 25588 7130 1 9 . 1 1 113 113 GLY C C 113 171.700 171.700 172.339 -0.639 25588 7131 1 9 . 1 1 113 113 GLY CA C 113 42.790 42.790 44.983 -2.193 25588 7132 1 9 . 1 1 113 113 GLY H H 113 7.830 7.830 7.537 0.293 25588 7133 1 9 . 1 1 114 114 GLU N N 114 120.600 120.600 120.087 0.513 25588 7134 1 9 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.668 -0.268 25588 7135 1 9 . 1 1 114 114 GLU C C 114 172.800 172.800 177.020 -4.220 25588 7136 1 9 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.134 -3.464 25588 7137 1 9 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.424 -2.464 25588 7138 1 9 . 1 1 114 114 GLU H H 114 7.914 7.914 8.655 -0.741 25588 7139 1 9 . 1 1 115 115 LYS N N 115 124.000 124.000 120.120 3.880 25588 7140 1 9 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.105 0.252 25588 7141 1 9 . 1 1 115 115 LYS C C 115 173.000 173.000 176.098 -3.098 25588 7142 1 9 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.507 -5.487 25588 7143 1 9 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.892 -3.482 25588 7144 1 9 . 1 1 115 115 LYS H H 115 8.505 8.505 8.499 0.006 25588 7145 1 9 . 1 1 116 116 LEU N N 116 125.000 125.000 116.507 8.493 25588 7146 1 9 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.609 0.150 25588 7147 1 9 . 1 1 116 116 LEU C C 116 175.300 175.300 176.666 -1.366 25588 7148 1 9 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.607 -1.187 25588 7149 1 9 . 1 1 116 116 LEU CB C 116 42.110 42.110 44.158 -2.048 25588 7150 1 9 . 1 1 116 116 LEU H H 116 8.076 8.076 7.601 0.475 25588 7151 1 9 . 1 1 117 117 THR N N 117 114.500 114.500 111.227 3.273 25588 7152 1 9 . 1 1 117 117 THR HA H 117 4.453 4.453 4.223 0.230 25588 7153 1 9 . 1 1 117 117 THR C C 117 172.800 172.800 174.466 -1.666 25588 7154 1 9 . 1 1 117 117 THR CA C 117 57.970 57.970 62.146 -4.176 25588 7155 1 9 . 1 1 117 117 THR CB C 117 68.610 68.610 69.836 -1.226 25588 7156 1 9 . 1 1 117 117 THR H H 117 9.116 9.116 8.275 0.841 25588 7157 1 9 . 1 1 118 118 ASP N N 118 121.000 121.000 119.737 1.263 25588 7158 1 9 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.641 -0.445 25588 7159 1 9 . 1 1 118 118 ASP C C 118 175.900 175.900 177.308 -1.408 25588 7160 1 9 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.147 -0.787 25588 7161 1 9 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.960 -3.850 25588 7162 1 9 . 1 1 118 118 ASP H H 118 8.847 8.847 8.682 0.165 25588 7163 1 9 . 1 1 119 119 GLU N N 119 119.100 119.100 119.185 -0.085 25588 7164 1 9 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.483 -0.413 25588 7165 1 9 . 1 1 119 119 GLU C C 119 176.500 176.500 177.436 -0.936 25588 7166 1 9 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.514 -1.234 25588 7167 1 9 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.696 -3.266 25588 7168 1 9 . 1 1 119 119 GLU H H 119 8.626 8.626 8.322 0.304 25588 7169 1 9 . 1 1 120 120 GLU N N 120 120.500 120.500 118.523 1.977 25588 7170 1 9 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.070 -0.080 25588 7171 1 9 . 1 1 120 120 GLU C C 120 177.400 177.400 178.666 -1.266 25588 7172 1 9 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.316 -2.726 25588 7173 1 9 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.102 -0.312 25588 7174 1 9 . 1 1 120 120 GLU H H 120 7.724 7.724 8.833 -1.109 25588 7175 1 9 . 1 1 121 121 VAL N N 121 121.100 121.100 114.284 6.816 25588 7176 1 9 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.832 -0.245 25588 7177 1 9 . 1 1 121 121 VAL C C 121 174.600 174.600 177.681 -3.081 25588 7178 1 9 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.008 -0.698 25588 7179 1 9 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.194 -2.814 25588 7180 1 9 . 1 1 121 121 VAL H H 121 8.062 8.062 8.090 -0.028 25588 7181 1 9 . 1 1 122 122 ASP N N 122 119.600 119.600 121.214 -1.614 25588 7182 1 9 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.364 -0.055 25588 7183 1 9 . 1 1 122 122 ASP C C 122 176.500 176.500 177.768 -1.268 25588 7184 1 9 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.147 -2.147 25588 7185 1 9 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.140 -2.240 25588 7186 1 9 . 1 1 122 122 ASP H H 122 8.007 8.007 7.692 0.315 25588 7187 1 9 . 1 1 123 123 GLU N N 123 119.300 119.300 116.969 2.331 25588 7188 1 9 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.330 -0.332 25588 7189 1 9 . 1 1 123 123 GLU C C 123 175.400 175.400 178.112 -2.712 25588 7190 1 9 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.459 -0.799 25588 7191 1 9 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.690 -3.900 25588 7192 1 9 . 1 1 123 123 GLU H H 123 7.967 7.967 8.121 -0.154 25588 7193 1 9 . 1 1 124 124 MET N N 124 119.600 119.600 120.970 -1.370 25588 7194 1 9 . 1 1 124 124 MET HA H 124 4.033 4.033 4.265 -0.232 25588 7195 1 9 . 1 1 124 124 MET C C 124 176.500 176.500 178.263 -1.763 25588 7196 1 9 . 1 1 124 124 MET CA C 124 56.970 56.970 58.017 -1.047 25588 7197 1 9 . 1 1 124 124 MET CB C 124 30.470 30.470 32.541 -2.071 25588 7198 1 9 . 1 1 124 124 MET H H 124 7.789 7.789 8.177 -0.388 25588 7199 1 9 . 1 1 125 125 ILE N N 125 118.500 118.500 116.243 2.257 25588 7200 1 9 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.777 -0.278 25588 7201 1 9 . 1 1 125 125 ILE C C 125 174.600 174.600 177.011 -2.411 25588 7202 1 9 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.247 -2.057 25588 7203 1 9 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.505 -3.995 25588 7204 1 9 . 1 1 125 125 ILE H H 125 7.940 7.940 7.662 0.278 25588 7205 1 9 . 1 1 126 126 ARG N N 126 118.300 118.300 119.244 -0.944 25588 7206 1 9 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.124 -0.116 25588 7207 1 9 . 1 1 126 126 ARG C C 126 176.800 176.800 178.473 -1.673 25588 7208 1 9 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.025 -1.925 25588 7209 1 9 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.655 -3.085 25588 7210 1 9 . 1 1 126 126 ARG H H 126 8.168 8.168 7.718 0.450 25588 7211 1 9 . 1 1 127 127 GLU N N 127 116.300 116.300 119.236 -2.936 25588 7212 1 9 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.109 -0.126 25588 7213 1 9 . 1 1 127 127 GLU C C 127 174.700 174.700 177.582 -2.882 25588 7214 1 9 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.654 -2.774 25588 7215 1 9 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.410 -2.470 25588 7216 1 9 . 1 1 127 127 GLU H H 127 7.918 7.918 8.154 -0.236 25588 7217 1 9 . 1 1 128 128 ALA N N 128 119.100 119.100 120.296 -1.196 25588 7218 1 9 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.013 0.405 25588 7219 1 9 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.985 -4.475 25588 7220 1 9 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.814 -0.074 25588 7221 1 9 . 1 1 128 128 ALA H H 128 7.354 7.354 7.862 -0.508 25588 7222 1 9 . 1 1 129 129 ASP N N 129 117.400 117.400 118.313 -0.913 25588 7223 1 9 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.691 -0.189 25588 7224 1 9 . 1 1 129 129 ASP C C 129 173.400 173.400 176.676 -3.276 25588 7225 1 9 . 1 1 129 129 ASP CA C 129 51.410 51.410 52.883 -1.473 25588 7226 1 9 . 1 1 129 129 ASP CB C 129 37.700 37.700 41.699 -3.999 25588 7227 1 9 . 1 1 129 129 ASP H H 129 7.871 7.871 7.509 0.362 25588 7228 1 9 . 1 1 130 130 ILE N N 130 128.000 128.000 120.585 7.415 25588 7229 1 9 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.024 -0.107 25588 7230 1 9 . 1 1 130 130 ILE C C 130 175.300 175.300 176.372 -1.072 25588 7231 1 9 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.918 -1.208 25588 7232 1 9 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.322 -1.512 25588 7233 1 9 . 1 1 130 130 ILE H H 130 8.384 8.384 8.489 -0.105 25588 7234 1 9 . 1 1 131 131 ASP N N 131 116.800 116.800 121.805 -5.005 25588 7235 1 9 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.460 0.090 25588 7236 1 9 . 1 1 131 131 ASP C C 131 175.600 175.600 177.759 -2.159 25588 7237 1 9 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.697 -5.478 25588 7238 1 9 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.087 -3.857 25588 7239 1 9 . 1 1 131 131 ASP H H 131 8.281 8.281 9.016 -0.735 25588 7240 1 9 . 1 1 132 132 GLY N N 132 108.500 108.500 107.668 0.832 25588 7241 1 9 . 1 1 132 132 GLY C C 132 172.600 172.600 174.723 -2.123 25588 7242 1 9 . 1 1 132 132 GLY CA C 132 44.850 44.850 45.989 -1.139 25588 7243 1 9 . 1 1 132 132 GLY H H 132 7.575 7.575 8.105 -0.530 25588 7244 1 9 . 1 1 133 133 ASP N N 133 120.800 120.800 117.427 3.373 25588 7245 1 9 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.571 -0.107 25588 7246 1 9 . 1 1 133 133 ASP C C 133 174.900 174.900 176.801 -1.901 25588 7247 1 9 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.537 -2.547 25588 7248 1 9 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.490 -2.900 25588 7249 1 9 . 1 1 133 133 ASP H H 133 8.326 8.326 8.130 0.196 25588 7250 1 9 . 1 1 134 134 GLY N N 134 112.900 112.900 107.938 4.962 25588 7251 1 9 . 1 1 134 134 GLY C C 134 170.200 170.200 172.964 -2.764 25588 7252 1 9 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.268 -2.218 25588 7253 1 9 . 1 1 134 134 GLY H H 134 10.310 10.310 8.356 1.954 25588 7254 1 9 . 1 1 135 135 GLN N N 135 115.400 115.400 120.717 -5.317 25588 7255 1 9 . 1 1 135 135 GLN HA H 135 4.860 4.860 5.293 -0.433 25588 7256 1 9 . 1 1 135 135 GLN C C 135 172.100 172.100 173.806 -1.706 25588 7257 1 9 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.368 -3.838 25588 7258 1 9 . 1 1 135 135 GLN CB C 135 30.020 30.020 33.054 -3.034 25588 7259 1 9 . 1 1 135 135 GLN H H 135 7.937 7.937 8.329 -0.392 25588 7260 1 9 . 1 1 136 136 VAL N N 136 125.500 125.500 122.136 3.364 25588 7261 1 9 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.646 0.544 25588 7262 1 9 . 1 1 136 136 VAL C C 136 173.200 173.200 174.652 -1.452 25588 7263 1 9 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.711 -1.611 25588 7264 1 9 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.761 -3.841 25588 7265 1 9 . 1 1 136 136 VAL H H 136 9.112 9.112 8.545 0.567 25588 7266 1 9 . 1 1 137 137 ASN N N 137 129.000 129.000 122.908 6.092 25588 7267 1 9 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.297 -0.065 25588 7268 1 9 . 1 1 137 137 ASN C C 137 172.200 172.200 175.167 -2.967 25588 7269 1 9 . 1 1 137 137 ASN CA C 137 48.460 48.460 52.063 -3.603 25588 7270 1 9 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.953 -6.263 25588 7271 1 9 . 1 1 137 137 ASN H H 137 9.509 9.509 8.475 1.034 25588 7272 1 9 . 1 1 138 138 TYR N N 138 118.400 118.400 123.690 -5.290 25588 7273 1 9 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.243 -0.819 25588 7274 1 9 . 1 1 138 138 TYR C C 138 173.500 173.500 177.013 -3.513 25588 7275 1 9 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.366 -2.336 25588 7276 1 9 . 1 1 138 138 TYR H H 138 8.420 8.420 9.314 -0.894 25588 7277 1 9 . 1 1 139 139 GLU N N 139 118.400 118.400 116.855 1.545 25588 7278 1 9 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.748 -0.107 25588 7279 1 9 . 1 1 139 139 GLU C C 139 177.900 177.900 178.825 -0.925 25588 7280 1 9 . 1 1 139 139 GLU CA C 139 57.740 57.740 59.890 -2.150 25588 7281 1 9 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.782 -2.392 25588 7282 1 9 . 1 1 139 139 GLU H H 139 8.066 8.066 8.824 -0.758 25588 7283 1 9 . 1 1 140 140 GLU N N 140 119.900 119.900 120.115 -0.215 25588 7284 1 9 . 1 1 140 140 GLU C C 140 176.700 176.700 178.692 -1.992 25588 7285 1 9 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.579 -2.679 25588 7286 1 9 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.412 -2.212 25588 7287 1 9 . 1 1 140 140 GLU H H 140 8.728 8.728 8.168 0.560 25588 7288 1 9 . 1 1 141 141 PHE N N 141 124.600 124.600 120.284 4.316 25588 7289 1 9 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.105 -0.121 25588 7290 1 9 . 1 1 141 141 PHE C C 141 174.200 174.200 177.573 -3.373 25588 7291 1 9 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.357 -3.397 25588 7292 1 9 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.668 -1.398 25588 7293 1 9 . 1 1 141 141 PHE H H 141 8.920 8.920 8.016 0.904 25588 7294 1 9 . 1 1 142 142 VAL N N 142 119.300 119.300 117.855 1.445 25588 7295 1 9 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.503 -0.382 25588 7296 1 9 . 1 1 142 142 VAL C C 142 176.900 176.900 177.139 -0.239 25588 7297 1 9 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.257 -1.827 25588 7298 1 9 . 1 1 142 142 VAL H H 142 8.536 8.536 7.161 1.375 25588 7299 1 9 . 1 1 143 143 GLN N N 143 118.200 118.200 117.103 1.097 25588 7300 1 9 . 1 1 143 143 GLN HA H 143 3.851 3.851 3.967 -0.116 25588 7301 1 9 . 1 1 143 143 GLN C C 143 175.300 175.300 178.964 -3.664 25588 7302 1 9 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.793 -1.533 25588 7303 1 9 . 1 1 143 143 GLN H H 143 7.404 7.404 7.266 0.138 25588 7304 1 9 . 1 1 144 144 MET N N 144 119.400 119.400 119.328 0.072 25588 7305 1 9 . 1 1 144 144 MET HA H 144 4.107 4.107 4.109 -0.002 25588 7306 1 9 . 1 1 144 144 MET C C 144 175.400 175.400 176.677 -1.277 25588 7307 1 9 . 1 1 144 144 MET CA C 144 55.500 55.500 58.331 -2.831 25588 7308 1 9 . 1 1 144 144 MET CB C 144 30.460 30.460 33.229 -2.769 25588 7309 1 9 . 1 1 144 144 MET H H 144 7.878 7.878 7.954 -0.076 25588 7310 1 9 . 1 1 145 145 MET N N 145 115.000 115.000 116.757 -1.757 25588 7311 1 9 . 1 1 145 145 MET HA H 145 4.281 4.281 4.567 -0.286 25588 7312 1 9 . 1 1 145 145 MET C C 145 174.900 174.900 174.613 0.287 25588 7313 1 9 . 1 1 145 145 MET CA C 145 52.740 52.740 55.602 -2.862 25588 7314 1 9 . 1 1 145 145 MET H H 145 7.852 7.852 7.513 0.339 25588 7315 1 9 . 1 1 146 146 THR N N 146 111.100 111.100 117.958 -6.858 25588 7316 1 9 . 1 1 146 146 THR HA H 146 4.306 4.306 4.450 -0.144 25588 7317 1 9 . 1 1 146 146 THR C C 146 171.600 171.600 173.501 -1.901 25588 7318 1 9 . 1 1 146 146 THR CA C 146 59.830 59.830 61.981 -2.151 25588 7319 1 9 . 1 1 146 146 THR CB C 146 67.510 67.510 68.930 -1.420 25588 7320 1 9 . 1 1 146 146 THR H H 146 7.571 7.571 8.359 -0.788 25588 7321 1 9 . 1 1 147 147 ALA N N 147 126.300 126.300 127.778 -1.478 25588 7322 1 9 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.061 0.239 25588 7323 1 9 . 1 1 147 147 ALA C C 147 174.000 174.000 176.726 -2.726 25588 7324 1 9 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.032 -3.842 25588 7325 1 9 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.576 -3.096 25588 7326 1 9 . 1 1 147 147 ALA H H 147 7.723 7.723 7.921 -0.198 25588 7327 1 10 . 1 1 2 2 ASP N N 2 118.400 118.400 121.037 -2.637 25588 7328 1 10 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.725 -0.111 25588 7329 1 10 . 1 1 2 2 ASP C C 2 173.000 173.000 176.209 -3.209 25588 7330 1 10 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.042 -2.022 25588 7331 1 10 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.444 -2.623 25588 7332 1 10 . 1 1 2 2 ASP H H 2 8.311 8.311 8.308 0.003 25588 7333 1 10 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.175 0.179 25588 7334 1 10 . 1 1 3 3 GLN C C 3 173.000 173.000 175.488 -2.488 25588 7335 1 10 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.522 -3.612 25588 7336 1 10 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.541 -2.391 25588 7337 1 10 . 1 1 3 3 GLN H H 3 8.321 8.321 8.678 -0.357 25588 7338 1 10 . 1 1 4 4 LEU N N 4 123.200 123.200 120.659 2.541 25588 7339 1 10 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.674 -0.024 25588 7340 1 10 . 1 1 4 4 LEU C C 4 175.100 175.100 175.197 -0.097 25588 7341 1 10 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.353 -2.563 25588 7342 1 10 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.605 -2.745 25588 7343 1 10 . 1 1 4 4 LEU H H 4 8.268 8.268 8.541 -0.273 25588 7344 1 10 . 1 1 5 5 THR N N 5 113.000 113.000 115.392 -2.392 25588 7345 1 10 . 1 1 5 5 THR HA H 5 4.754 4.754 4.569 0.185 25588 7346 1 10 . 1 1 5 5 THR C C 5 172.800 172.800 174.809 -2.009 25588 7347 1 10 . 1 1 5 5 THR CA C 5 57.880 57.880 60.136 -2.256 25588 7348 1 10 . 1 1 5 5 THR CB C 5 68.480 68.480 71.722 -3.242 25588 7349 1 10 . 1 1 5 5 THR H H 5 8.682 8.682 8.084 0.598 25588 7350 1 10 . 1 1 6 6 GLU N N 6 120.500 120.500 122.463 -1.963 25588 7351 1 10 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.001 -0.038 25588 7352 1 10 . 1 1 6 6 GLU C C 6 176.800 176.800 177.870 -1.070 25588 7353 1 10 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.218 -1.788 25588 7354 1 10 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.428 -2.908 25588 7355 1 10 . 1 1 6 6 GLU H H 6 8.990 8.990 9.008 -0.018 25588 7356 1 10 . 1 1 7 7 GLU N N 7 119.600 119.600 118.926 0.674 25588 7357 1 10 . 1 1 7 7 GLU HA H 7 4.069 4.069 3.989 0.080 25588 7358 1 10 . 1 1 7 7 GLU C C 7 176.500 176.500 179.031 -2.531 25588 7359 1 10 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.603 -2.223 25588 7360 1 10 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.256 -2.826 25588 7361 1 10 . 1 1 7 7 GLU H H 7 8.668 8.668 8.712 -0.044 25588 7362 1 10 . 1 1 8 8 GLN N N 8 120.100 120.100 118.089 2.011 25588 7363 1 10 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.152 -0.283 25588 7364 1 10 . 1 1 8 8 GLN C C 8 175.700 175.700 178.847 -3.147 25588 7365 1 10 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.584 -2.634 25588 7366 1 10 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.758 -1.948 25588 7367 1 10 . 1 1 8 8 GLN H H 8 7.721 7.721 7.648 0.073 25588 7368 1 10 . 1 1 9 9 ILE N N 9 119.600 119.600 119.905 -0.305 25588 7369 1 10 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.670 0.042 25588 7370 1 10 . 1 1 9 9 ILE C C 9 175.100 175.100 177.985 -2.885 25588 7371 1 10 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.558 -1.028 25588 7372 1 10 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.829 -2.749 25588 7373 1 10 . 1 1 9 9 ILE H H 9 8.373 8.373 7.400 0.973 25588 7374 1 10 . 1 1 10 10 ALA N N 10 121.300 121.300 122.773 -1.473 25588 7375 1 10 . 1 1 10 10 ALA C C 10 178.400 178.400 179.308 -0.908 25588 7376 1 10 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.530 -2.740 25588 7377 1 10 . 1 1 10 10 ALA CB C 10 15.360 15.360 18.018 -2.658 25588 7378 1 10 . 1 1 10 10 ALA H H 10 7.984 7.984 8.602 -0.618 25588 7379 1 10 . 1 1 11 11 GLU N N 11 119.500 119.500 118.993 0.507 25588 7380 1 10 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.913 0.234 25588 7381 1 10 . 1 1 11 11 GLU C C 11 177.900 177.900 179.213 -1.313 25588 7382 1 10 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.340 -2.670 25588 7383 1 10 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.404 -2.904 25588 7384 1 10 . 1 1 11 11 GLU H H 11 7.779 7.779 7.995 -0.216 25588 7385 1 10 . 1 1 12 12 PHE N N 12 120.200 120.200 117.459 2.741 25588 7386 1 10 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.366 0.654 25588 7387 1 10 . 1 1 12 12 PHE C C 12 176.100 176.100 178.032 -1.932 25588 7388 1 10 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.132 -4.522 25588 7389 1 10 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.741 -3.461 25588 7390 1 10 . 1 1 12 12 PHE H H 12 8.562 8.562 8.175 0.387 25588 7391 1 10 . 1 1 13 13 LYS N N 13 123.500 123.500 120.086 3.414 25588 7392 1 10 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.188 -0.199 25588 7393 1 10 . 1 1 13 13 LYS C C 13 176.700 176.700 179.716 -3.016 25588 7394 1 10 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.523 -2.003 25588 7395 1 10 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.249 -2.939 25588 7396 1 10 . 1 1 13 13 LYS H H 13 9.161 9.161 7.801 1.360 25588 7397 1 10 . 1 1 14 14 GLU N N 14 120.400 120.400 119.099 1.301 25588 7398 1 10 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.201 -0.076 25588 7399 1 10 . 1 1 14 14 GLU C C 14 176.800 176.800 178.904 -2.104 25588 7400 1 10 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.856 -2.126 25588 7401 1 10 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.377 -2.777 25588 7402 1 10 . 1 1 14 14 GLU H H 14 7.786 7.786 8.582 -0.797 25588 7403 1 10 . 1 1 15 15 ALA N N 15 122.600 122.600 121.641 0.959 25588 7404 1 10 . 1 1 15 15 ALA HA H 15 4.283 4.283 4.045 0.238 25588 7405 1 10 . 1 1 15 15 ALA C C 15 176.400 176.400 179.007 -2.607 25588 7406 1 10 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.476 -1.886 25588 7407 1 10 . 1 1 15 15 ALA CB C 15 15.540 15.540 17.962 -2.422 25588 7408 1 10 . 1 1 15 15 ALA H H 15 7.981 7.981 8.040 -0.059 25588 7409 1 10 . 1 1 16 16 PHE N N 16 119.400 119.400 119.383 0.017 25588 7410 1 10 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.379 -1.173 25588 7411 1 10 . 1 1 16 16 PHE C C 16 174.600 174.600 177.256 -2.656 25588 7412 1 10 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.609 -2.249 25588 7413 1 10 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.234 -2.194 25588 7414 1 10 . 1 1 16 16 PHE H H 16 8.796 8.796 7.814 0.982 25588 7415 1 10 . 1 1 17 17 SER N N 17 112.600 112.600 114.181 -1.581 25588 7416 1 10 . 1 1 17 17 SER HA H 17 4.028 4.028 4.525 -0.497 25588 7417 1 10 . 1 1 17 17 SER C C 17 172.400 172.400 176.327 -3.927 25588 7418 1 10 . 1 1 17 17 SER CA C 17 58.820 58.820 60.956 -2.136 25588 7419 1 10 . 1 1 17 17 SER CB C 17 60.680 60.680 62.818 -2.138 25588 7420 1 10 . 1 1 17 17 SER H H 17 7.898 7.898 8.070 -0.172 25588 7421 1 10 . 1 1 18 18 LEU N N 18 121.000 121.000 123.779 -2.779 25588 7422 1 10 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.998 -0.003 25588 7423 1 10 . 1 1 18 18 LEU C C 18 175.300 175.300 177.928 -2.628 25588 7424 1 10 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.625 -3.135 25588 7425 1 10 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.548 -2.678 25588 7426 1 10 . 1 1 18 18 LEU H H 18 7.426 7.426 7.173 0.253 25588 7427 1 10 . 1 1 19 19 PHE N N 19 115.200 115.200 115.810 -0.610 25588 7428 1 10 . 1 1 19 19 PHE C C 19 174.100 174.100 178.172 -4.072 25588 7429 1 10 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.748 -5.108 25588 7430 1 10 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.333 -0.083 25588 7431 1 10 . 1 1 19 19 PHE H H 19 7.309 7.309 7.742 -0.433 25588 7432 1 10 . 1 1 20 20 ASP N N 20 117.700 117.700 118.312 -0.612 25588 7433 1 10 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.656 -0.116 25588 7434 1 10 . 1 1 20 20 ASP C C 20 174.500 174.500 178.053 -3.553 25588 7435 1 10 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.423 -4.703 25588 7436 1 10 . 1 1 20 20 ASP CB C 20 36.200 36.200 41.212 -5.012 25588 7437 1 10 . 1 1 20 20 ASP H H 20 7.814 7.814 7.880 -0.066 25588 7438 1 10 . 1 1 21 21 LYS N N 21 124.400 124.400 119.368 5.032 25588 7439 1 10 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.923 0.031 25588 7440 1 10 . 1 1 21 21 LYS C C 21 175.500 175.500 177.529 -2.029 25588 7441 1 10 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.156 -3.266 25588 7442 1 10 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.333 -2.273 25588 7443 1 10 . 1 1 21 21 LYS H H 21 7.652 7.652 7.912 -0.260 25588 7444 1 10 . 1 1 22 22 ASP N N 22 113.900 113.900 116.685 -2.785 25588 7445 1 10 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.392 0.193 25588 7446 1 10 . 1 1 22 22 ASP C C 22 175.000 175.000 176.985 -1.985 25588 7447 1 10 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.558 -5.428 25588 7448 1 10 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.956 -4.046 25588 7449 1 10 . 1 1 22 22 ASP H H 22 8.056 8.056 7.923 0.133 25588 7450 1 10 . 1 1 23 23 GLY N N 23 109.200 109.200 108.972 0.228 25588 7451 1 10 . 1 1 23 23 GLY C C 23 172.300 172.300 173.761 -1.461 25588 7452 1 10 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.407 0.183 25588 7453 1 10 . 1 1 23 23 GLY H H 23 7.660 7.660 7.687 -0.027 25588 7454 1 10 . 1 1 24 24 ASP N N 24 118.600 118.600 118.787 -0.187 25588 7455 1 10 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.522 0.095 25588 7456 1 10 . 1 1 24 24 ASP C C 24 174.200 174.200 176.222 -2.022 25588 7457 1 10 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.672 -5.702 25588 7458 1 10 . 1 1 24 24 ASP CB C 24 35.090 35.090 40.903 -5.813 25588 7459 1 10 . 1 1 24 24 ASP H H 24 8.052 8.052 8.438 -0.386 25588 7460 1 10 . 1 1 25 25 GLY N N 25 113.400 113.400 108.770 4.630 25588 7461 1 10 . 1 1 25 25 GLY C C 25 170.600 170.600 173.057 -2.457 25588 7462 1 10 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.260 -2.100 25588 7463 1 10 . 1 1 25 25 GLY H H 25 10.570 10.570 7.884 2.686 25588 7464 1 10 . 1 1 26 26 THR N N 26 109.100 109.100 116.631 -7.531 25588 7465 1 10 . 1 1 26 26 THR HA H 26 5.271 5.271 4.443 0.828 25588 7466 1 10 . 1 1 26 26 THR C C 26 170.200 170.200 172.602 -2.402 25588 7467 1 10 . 1 1 26 26 THR CA C 26 57.170 57.170 62.117 -4.947 25588 7468 1 10 . 1 1 26 26 THR CB C 26 69.920 69.920 72.627 -2.707 25588 7469 1 10 . 1 1 26 26 THR H H 26 7.661 7.661 8.106 -0.445 25588 7470 1 10 . 1 1 27 27 ILE N N 27 127.100 127.100 124.770 2.330 25588 7471 1 10 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.625 0.346 25588 7472 1 10 . 1 1 27 27 ILE C C 27 173.400 173.400 175.295 -1.895 25588 7473 1 10 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.004 -2.184 25588 7474 1 10 . 1 1 27 27 ILE CB C 27 36.720 36.720 38.072 -1.352 25588 7475 1 10 . 1 1 27 27 ILE H H 27 9.766 9.766 8.168 1.598 25588 7476 1 10 . 1 1 28 28 THR N N 28 116.500 116.500 114.437 2.063 25588 7477 1 10 . 1 1 28 28 THR HA H 28 4.802 4.802 4.633 0.169 25588 7478 1 10 . 1 1 28 28 THR C C 28 173.900 173.900 176.311 -2.411 25588 7479 1 10 . 1 1 28 28 THR CA C 28 56.980 56.980 60.404 -3.424 25588 7480 1 10 . 1 1 28 28 THR CB C 28 69.730 69.730 71.249 -1.519 25588 7481 1 10 . 1 1 28 28 THR H H 28 8.458 8.458 7.988 0.470 25588 7482 1 10 . 1 1 29 29 THR N N 29 112.900 112.900 114.256 -1.356 25588 7483 1 10 . 1 1 29 29 THR HA H 29 4.169 4.169 4.045 0.124 25588 7484 1 10 . 1 1 29 29 THR C C 29 174.500 174.500 176.589 -2.089 25588 7485 1 10 . 1 1 29 29 THR CA C 29 63.940 63.940 66.104 -2.164 25588 7486 1 10 . 1 1 29 29 THR CB C 29 65.170 65.170 68.718 -3.548 25588 7487 1 10 . 1 1 29 29 THR H H 29 9.066 9.066 8.569 0.497 25588 7488 1 10 . 1 1 30 30 LYS N N 30 120.800 120.800 121.310 -0.510 25588 7489 1 10 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.955 0.156 25588 7490 1 10 . 1 1 30 30 LYS C C 30 177.200 177.200 178.859 -1.659 25588 7491 1 10 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.731 -3.201 25588 7492 1 10 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.052 -2.092 25588 7493 1 10 . 1 1 30 30 LYS H H 30 7.664 7.664 7.734 -0.070 25588 7494 1 10 . 1 1 31 31 GLU N N 31 121.400 121.400 118.995 2.405 25588 7495 1 10 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.980 0.085 25588 7496 1 10 . 1 1 31 31 GLU C C 31 176.500 176.500 179.001 -2.501 25588 7497 1 10 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.894 -2.314 25588 7498 1 10 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.600 -2.440 25588 7499 1 10 . 1 1 31 31 GLU H H 31 7.635 7.635 7.453 0.182 25588 7500 1 10 . 1 1 32 32 LEU N N 32 120.600 120.600 121.165 -0.565 25588 7501 1 10 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.176 -0.094 25588 7502 1 10 . 1 1 32 32 LEU C C 32 176.300 176.300 178.322 -2.022 25588 7503 1 10 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.349 -1.940 25588 7504 1 10 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.852 -1.882 25588 7505 1 10 . 1 1 32 32 LEU H H 32 8.699 8.699 7.401 1.298 25588 7506 1 10 . 1 1 33 33 GLY N N 33 105.600 105.600 104.238 1.362 25588 7507 1 10 . 1 1 33 33 GLY C C 33 172.500 172.500 176.373 -3.873 25588 7508 1 10 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.613 -1.893 25588 7509 1 10 . 1 1 33 33 GLY H H 33 8.616 8.616 8.500 0.116 25588 7510 1 10 . 1 1 34 34 THR N N 34 118.000 118.000 118.845 -0.845 25588 7511 1 10 . 1 1 34 34 THR HA H 34 3.913 3.913 3.967 -0.054 25588 7512 1 10 . 1 1 34 34 THR C C 34 174.500 174.500 176.253 -1.753 25588 7513 1 10 . 1 1 34 34 THR CA C 34 64.250 64.250 66.507 -2.257 25588 7514 1 10 . 1 1 34 34 THR CB C 34 66.100 66.100 68.459 -2.359 25588 7515 1 10 . 1 1 34 34 THR H H 34 7.867 7.867 7.271 0.596 25588 7516 1 10 . 1 1 35 35 VAL N N 35 122.100 122.100 121.361 0.739 25588 7517 1 10 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.623 -0.165 25588 7518 1 10 . 1 1 35 35 VAL C C 35 176.500 176.500 177.133 -0.633 25588 7519 1 10 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.395 -1.765 25588 7520 1 10 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.822 -2.702 25588 7521 1 10 . 1 1 35 35 VAL H H 35 7.613 7.613 7.339 0.274 25588 7522 1 10 . 1 1 36 36 MET N N 36 118.400 118.400 117.744 0.656 25588 7523 1 10 . 1 1 36 36 MET HA H 36 4.095 4.095 4.004 0.091 25588 7524 1 10 . 1 1 36 36 MET C C 36 176.500 176.500 178.258 -1.758 25588 7525 1 10 . 1 1 36 36 MET CA C 36 56.420 56.420 57.916 -1.496 25588 7526 1 10 . 1 1 36 36 MET H H 36 8.440 8.440 7.396 1.044 25588 7527 1 10 . 1 1 37 37 ARG N N 37 119.000 119.000 119.062 -0.062 25588 7528 1 10 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.032 0.769 25588 7529 1 10 . 1 1 37 37 ARG C C 37 178.500 178.500 179.170 -0.670 25588 7530 1 10 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.402 -2.982 25588 7531 1 10 . 1 1 37 37 ARG H H 37 8.474 8.474 8.036 0.438 25588 7532 1 10 . 1 1 38 38 SER N N 38 118.800 118.800 115.358 3.442 25588 7533 1 10 . 1 1 38 38 SER HA H 38 4.380 4.380 4.226 0.154 25588 7534 1 10 . 1 1 38 38 SER C C 38 172.200 172.200 176.065 -3.865 25588 7535 1 10 . 1 1 38 38 SER CA C 38 58.930 58.930 60.768 -1.838 25588 7536 1 10 . 1 1 38 38 SER CB C 38 60.200 60.200 62.876 -2.676 25588 7537 1 10 . 1 1 38 38 SER H H 38 7.899 7.899 8.022 -0.123 25588 7538 1 10 . 1 1 39 39 LEU N N 39 120.600 120.600 120.347 0.253 25588 7539 1 10 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.439 0.056 25588 7540 1 10 . 1 1 39 39 LEU C C 39 174.800 174.800 176.585 -1.785 25588 7541 1 10 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.139 -2.209 25588 7542 1 10 . 1 1 39 39 LEU H H 39 7.364 7.364 7.347 0.017 25588 7543 1 10 . 1 1 40 40 GLY N N 40 106.800 106.800 108.186 -1.386 25588 7544 1 10 . 1 1 40 40 GLY C C 40 171.700 171.700 174.173 -2.473 25588 7545 1 10 . 1 1 40 40 GLY CA C 40 42.970 42.970 45.578 -2.608 25588 7546 1 10 . 1 1 40 40 GLY H H 40 7.862 7.862 7.805 0.057 25588 7547 1 10 . 1 1 41 41 GLN N N 41 118.400 118.400 120.630 -2.230 25588 7548 1 10 . 1 1 41 41 GLN HA H 41 4.480 4.480 3.776 0.704 25588 7549 1 10 . 1 1 41 41 GLN C C 41 171.400 171.400 173.931 -2.531 25588 7550 1 10 . 1 1 41 41 GLN CA C 41 51.890 51.890 56.639 -4.749 25588 7551 1 10 . 1 1 41 41 GLN CB C 41 28.080 28.080 28.366 -0.286 25588 7552 1 10 . 1 1 41 41 GLN H H 41 7.788 7.788 8.076 -0.288 25588 7553 1 10 . 1 1 42 42 ASN N N 42 116.300 116.300 120.640 -4.340 25588 7554 1 10 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.292 -0.099 25588 7555 1 10 . 1 1 42 42 ASN CA C 42 48.620 48.620 50.301 -1.681 25588 7556 1 10 . 1 1 42 42 ASN H H 42 8.665 8.665 8.711 -0.046 25588 7557 1 10 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.048 0.687 25588 7558 1 10 . 1 1 43 43 PRO C C 43 175.100 175.100 178.344 -3.244 25588 7559 1 10 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.589 -5.809 25588 7560 1 10 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.797 -2.407 25588 7561 1 10 . 1 1 44 44 THR N N 44 112.900 112.900 113.305 -0.405 25588 7562 1 10 . 1 1 44 44 THR HA H 44 4.707 4.707 3.916 0.791 25588 7563 1 10 . 1 1 44 44 THR C C 44 172.600 172.600 176.669 -4.069 25588 7564 1 10 . 1 1 44 44 THR CA C 44 57.830 57.830 66.276 -8.446 25588 7565 1 10 . 1 1 44 44 THR CB C 44 68.490 68.490 68.509 -0.019 25588 7566 1 10 . 1 1 44 44 THR H H 44 8.702 8.702 7.842 0.860 25588 7567 1 10 . 1 1 45 45 GLU N N 45 120.800 120.800 120.039 0.761 25588 7568 1 10 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.294 -0.319 25588 7569 1 10 . 1 1 45 45 GLU C C 45 176.300 176.300 178.304 -2.004 25588 7570 1 10 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.114 -0.654 25588 7571 1 10 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.620 -3.200 25588 7572 1 10 . 1 1 45 45 GLU H H 45 8.789 8.789 8.398 0.391 25588 7573 1 10 . 1 1 46 46 ALA N N 46 120.700 120.700 124.335 -3.635 25588 7574 1 10 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.007 0.082 25588 7575 1 10 . 1 1 46 46 ALA C C 46 177.700 177.700 179.489 -1.789 25588 7576 1 10 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.479 -3.069 25588 7577 1 10 . 1 1 46 46 ALA CB C 46 15.650 15.650 18.019 -2.369 25588 7578 1 10 . 1 1 46 46 ALA H H 46 8.241 8.241 8.406 -0.165 25588 7579 1 10 . 1 1 47 47 GLU N N 47 118.900 118.900 117.995 0.905 25588 7580 1 10 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.142 -0.140 25588 7581 1 10 . 1 1 47 47 GLU C C 47 177.500 177.500 179.242 -1.742 25588 7582 1 10 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.797 -2.387 25588 7583 1 10 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.621 -2.561 25588 7584 1 10 . 1 1 47 47 GLU H H 47 7.682 7.682 7.719 -0.037 25588 7585 1 10 . 1 1 48 48 LEU N N 48 120.600 120.600 120.229 0.371 25588 7586 1 10 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.008 0.053 25588 7587 1 10 . 1 1 48 48 LEU C C 48 175.900 175.900 178.767 -2.867 25588 7588 1 10 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.008 -1.738 25588 7589 1 10 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.622 -1.882 25588 7590 1 10 . 1 1 48 48 LEU H H 48 8.169 8.169 7.446 0.723 25588 7591 1 10 . 1 1 49 49 GLN N N 49 118.200 118.200 119.583 -1.383 25588 7592 1 10 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.798 0.029 25588 7593 1 10 . 1 1 49 49 GLN C C 49 175.900 175.900 177.816 -1.916 25588 7594 1 10 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.490 -3.520 25588 7595 1 10 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.874 -2.354 25588 7596 1 10 . 1 1 49 49 GLN H H 49 8.179 8.179 8.549 -0.370 25588 7597 1 10 . 1 1 50 50 ASP N N 50 119.900 119.900 118.990 0.910 25588 7598 1 10 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.434 -0.051 25588 7599 1 10 . 1 1 50 50 ASP C C 50 175.900 175.900 178.174 -2.274 25588 7600 1 10 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.597 -1.647 25588 7601 1 10 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.582 -2.792 25588 7602 1 10 . 1 1 50 50 ASP H H 50 8.037 8.037 7.679 0.358 25588 7603 1 10 . 1 1 51 51 MET N N 51 119.300 119.300 120.453 -1.153 25588 7604 1 10 . 1 1 51 51 MET HA H 51 4.028 4.028 4.091 -0.063 25588 7605 1 10 . 1 1 51 51 MET C C 51 176.200 176.200 178.241 -2.041 25588 7606 1 10 . 1 1 51 51 MET CA C 51 56.710 56.710 59.106 -2.397 25588 7607 1 10 . 1 1 51 51 MET CB C 51 30.570 30.570 32.692 -2.122 25588 7608 1 10 . 1 1 51 51 MET H H 51 7.855 7.855 7.246 0.609 25588 7609 1 10 . 1 1 52 52 ILE N N 52 118.200 118.200 119.659 -1.459 25588 7610 1 10 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.509 -0.020 25588 7611 1 10 . 1 1 52 52 ILE C C 52 175.100 175.100 177.892 -2.792 25588 7612 1 10 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.808 -3.588 25588 7613 1 10 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.708 1.623 25588 7614 1 10 . 1 1 52 52 ILE H H 52 7.701 7.701 8.837 -1.136 25588 7615 1 10 . 1 1 53 53 ASN N N 53 117.700 117.700 117.754 -0.054 25588 7616 1 10 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.347 0.014 25588 7617 1 10 . 1 1 53 53 ASN C C 53 174.800 174.800 177.501 -2.701 25588 7618 1 10 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.948 -3.658 25588 7619 1 10 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.176 -2.736 25588 7620 1 10 . 1 1 53 53 ASN H H 53 8.529 8.529 7.859 0.670 25588 7621 1 10 . 1 1 54 54 GLU N N 54 116.400 116.400 120.075 -3.675 25588 7622 1 10 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.982 0.039 25588 7623 1 10 . 1 1 54 54 GLU C C 54 175.000 175.000 177.901 -2.901 25588 7624 1 10 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.295 -3.055 25588 7625 1 10 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.857 -2.027 25588 7626 1 10 . 1 1 54 54 GLU H H 54 7.573 7.573 7.723 -0.150 25588 7627 1 10 . 1 1 55 55 VAL N N 55 108.400 108.400 116.839 -8.439 25588 7628 1 10 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.885 0.561 25588 7629 1 10 . 1 1 55 55 VAL C C 55 173.100 173.100 177.944 -4.844 25588 7630 1 10 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.222 -7.132 25588 7631 1 10 . 1 1 55 55 VAL H H 55 7.204 7.204 7.768 -0.564 25588 7632 1 10 . 1 1 56 56 ASP N N 56 126.900 126.900 119.657 7.243 25588 7633 1 10 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.521 0.117 25588 7634 1 10 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.022 -3.972 25588 7635 1 10 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.793 -3.313 25588 7636 1 10 . 1 1 56 56 ASP H H 56 7.649 7.649 8.559 -0.910 25588 7637 1 10 . 1 1 57 57 ALA N N 57 131.900 131.900 120.903 10.997 25588 7638 1 10 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.186 -0.004 25588 7639 1 10 . 1 1 57 57 ALA C C 57 176.000 176.000 177.887 -1.887 25588 7640 1 10 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.249 -1.559 25588 7641 1 10 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.176 -1.276 25588 7642 1 10 . 1 1 57 57 ALA H H 57 8.458 8.458 7.844 0.614 25588 7643 1 10 . 1 1 58 58 ASP N N 58 113.800 113.800 118.484 -4.684 25588 7644 1 10 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.401 0.210 25588 7645 1 10 . 1 1 58 58 ASP C C 58 175.200 175.200 177.164 -1.964 25588 7646 1 10 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.593 -5.553 25588 7647 1 10 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.689 -3.489 25588 7648 1 10 . 1 1 58 58 ASP H H 58 8.125 8.125 7.583 0.542 25588 7649 1 10 . 1 1 59 59 GLY N N 59 108.400 108.400 105.617 2.783 25588 7650 1 10 . 1 1 59 59 GLY C C 59 172.500 172.500 173.298 -0.798 25588 7651 1 10 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.262 -0.602 25588 7652 1 10 . 1 1 59 59 GLY H H 59 7.550 7.550 7.781 -0.231 25588 7653 1 10 . 1 1 60 60 ASN N N 60 120.600 120.600 117.114 3.486 25588 7654 1 10 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.738 -0.251 25588 7655 1 10 . 1 1 60 60 ASN C C 60 174.800 174.800 174.895 -0.095 25588 7656 1 10 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.576 -1.396 25588 7657 1 10 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.302 -1.462 25588 7658 1 10 . 1 1 60 60 ASN H H 60 8.356 8.356 8.216 0.140 25588 7659 1 10 . 1 1 61 61 GLY N N 61 113.300 113.300 107.334 5.966 25588 7660 1 10 . 1 1 61 61 GLY C C 61 171.100 171.100 173.768 -2.668 25588 7661 1 10 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.891 -3.061 25588 7662 1 10 . 1 1 61 61 GLY H H 61 10.610 10.610 8.744 1.866 25588 7663 1 10 . 1 1 62 62 THR N N 62 112.900 112.900 112.080 0.820 25588 7664 1 10 . 1 1 62 62 THR HA H 62 4.756 4.756 4.535 0.221 25588 7665 1 10 . 1 1 62 62 THR C C 62 170.500 170.500 173.045 -2.545 25588 7666 1 10 . 1 1 62 62 THR CA C 62 57.050 57.050 59.789 -2.739 25588 7667 1 10 . 1 1 62 62 THR CB C 62 69.100 69.100 72.117 -3.017 25588 7668 1 10 . 1 1 62 62 THR H H 62 8.111 8.111 7.711 0.400 25588 7669 1 10 . 1 1 63 63 ILE N N 63 123.900 123.900 123.609 0.291 25588 7670 1 10 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.313 0.839 25588 7671 1 10 . 1 1 63 63 ILE C C 63 172.900 172.900 174.561 -1.661 25588 7672 1 10 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.274 -2.914 25588 7673 1 10 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.552 -4.692 25588 7674 1 10 . 1 1 63 63 ILE H H 63 8.905 8.905 8.140 0.765 25588 7675 1 10 . 1 1 64 64 ASP N N 64 128.200 128.200 126.005 2.195 25588 7676 1 10 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.768 0.574 25588 7677 1 10 . 1 1 64 64 ASP C C 64 173.700 173.700 177.025 -3.325 25588 7678 1 10 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.089 -4.619 25588 7679 1 10 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.740 -2.090 25588 7680 1 10 . 1 1 64 64 ASP H H 64 8.778 8.778 8.331 0.447 25588 7681 1 10 . 1 1 65 65 PHE N N 65 118.700 118.700 120.445 -1.745 25588 7682 1 10 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.792 -2.772 25588 7683 1 10 . 1 1 65 65 PHE H H 65 8.903 8.903 8.959 -0.056 25588 7684 1 10 . 1 1 66 66 PRO C C 66 177.400 177.400 178.883 -1.483 25588 7685 1 10 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.435 -2.475 25588 7686 1 10 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.310 -3.250 25588 7687 1 10 . 1 1 67 67 GLU N N 67 117.600 117.600 117.731 -0.131 25588 7688 1 10 . 1 1 67 67 GLU C C 67 176.100 176.100 178.900 -2.800 25588 7689 1 10 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.310 -3.240 25588 7690 1 10 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.253 -2.503 25588 7691 1 10 . 1 1 67 67 GLU H H 67 7.894 7.894 8.622 -0.728 25588 7692 1 10 . 1 1 68 68 PHE N N 68 123.500 123.500 122.167 1.333 25588 7693 1 10 . 1 1 68 68 PHE C C 68 174.400 174.400 176.936 -2.536 25588 7694 1 10 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.623 -3.013 25588 7695 1 10 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.916 -1.396 25588 7696 1 10 . 1 1 68 68 PHE H H 68 8.826 8.826 8.156 0.670 25588 7697 1 10 . 1 1 69 69 LEU N N 69 119.000 119.000 118.570 0.430 25588 7698 1 10 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.803 -0.469 25588 7699 1 10 . 1 1 69 69 LEU C C 69 176.600 176.600 179.011 -2.411 25588 7700 1 10 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.136 -2.786 25588 7701 1 10 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.570 -3.390 25588 7702 1 10 . 1 1 69 69 LEU H H 69 8.321 8.321 8.488 -0.167 25588 7703 1 10 . 1 1 70 70 THR N N 70 115.500 115.500 115.060 0.440 25588 7704 1 10 . 1 1 70 70 THR HA H 70 4.317 4.317 3.940 0.377 25588 7705 1 10 . 1 1 70 70 THR C C 70 173.400 173.400 176.340 -2.940 25588 7706 1 10 . 1 1 70 70 THR CA C 70 63.720 63.720 66.583 -2.863 25588 7707 1 10 . 1 1 70 70 THR CB C 70 65.630 65.630 68.640 -3.010 25588 7708 1 10 . 1 1 70 70 THR H H 70 7.476 7.476 7.602 -0.126 25588 7709 1 10 . 1 1 71 71 MET N N 71 121.700 121.700 121.582 0.118 25588 7710 1 10 . 1 1 71 71 MET HA H 71 3.758 3.758 3.991 -0.233 25588 7711 1 10 . 1 1 71 71 MET C C 71 175.600 175.600 177.639 -2.039 25588 7712 1 10 . 1 1 71 71 MET CA C 71 56.370 56.370 59.200 -2.829 25588 7713 1 10 . 1 1 71 71 MET CB C 71 30.590 30.590 32.554 -1.964 25588 7714 1 10 . 1 1 71 71 MET H H 71 7.774 7.774 8.516 -0.742 25588 7715 1 10 . 1 1 72 72 MET N N 72 116.900 116.900 117.108 -0.208 25588 7716 1 10 . 1 1 72 72 MET HA H 72 3.993 3.993 3.952 0.041 25588 7717 1 10 . 1 1 72 72 MET C C 72 175.900 175.900 178.271 -2.371 25588 7718 1 10 . 1 1 72 72 MET CA C 72 53.200 53.200 57.408 -4.208 25588 7719 1 10 . 1 1 72 72 MET CB C 72 28.520 28.520 30.957 -2.437 25588 7720 1 10 . 1 1 72 72 MET H H 72 8.082 8.082 7.960 0.122 25588 7721 1 10 . 1 1 73 73 ALA N N 73 122.300 122.300 122.061 0.239 25588 7722 1 10 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.890 0.184 25588 7723 1 10 . 1 1 73 73 ALA C C 73 177.200 177.200 178.994 -1.794 25588 7724 1 10 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.878 -2.908 25588 7725 1 10 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.366 -2.627 25588 7726 1 10 . 1 1 73 73 ALA H H 73 8.149 8.149 7.535 0.614 25588 7727 1 10 . 1 1 74 74 ARG N N 74 116.600 116.600 116.951 -0.351 25588 7728 1 10 . 1 1 74 74 ARG C C 74 175.200 175.200 178.573 -3.373 25588 7729 1 10 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.950 -3.390 25588 7730 1 10 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.291 -2.641 25588 7731 1 10 . 1 1 74 74 ARG H H 74 7.564 7.564 7.481 0.083 25588 7732 1 10 . 1 1 75 75 LYS N N 75 118.800 118.800 117.500 1.300 25588 7733 1 10 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.100 0.095 25588 7734 1 10 . 1 1 75 75 LYS C C 75 175.100 175.100 177.550 -2.450 25588 7735 1 10 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.567 -2.837 25588 7736 1 10 . 1 1 75 75 LYS H H 75 7.668 7.668 7.747 -0.079 25588 7737 1 10 . 1 1 76 76 MET N N 76 118.300 118.300 118.200 0.100 25588 7738 1 10 . 1 1 76 76 MET HA H 76 4.331 4.331 4.436 -0.105 25588 7739 1 10 . 1 1 76 76 MET C C 76 173.900 173.900 174.972 -1.072 25588 7740 1 10 . 1 1 76 76 MET CA C 76 54.010 54.010 54.281 -0.271 25588 7741 1 10 . 1 1 76 76 MET H H 76 7.861 7.861 7.922 -0.061 25588 7742 1 10 . 1 1 77 77 LYS N N 77 120.200 120.200 120.520 -0.320 25588 7743 1 10 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.540 -0.242 25588 7744 1 10 . 1 1 77 77 LYS C C 77 173.800 173.800 175.968 -2.168 25588 7745 1 10 . 1 1 77 77 LYS CA C 77 54.070 54.070 54.642 -0.573 25588 7746 1 10 . 1 1 77 77 LYS CB C 77 30.370 30.370 34.865 -4.495 25588 7747 1 10 . 1 1 77 77 LYS H H 77 7.797 7.797 8.234 -0.437 25588 7748 1 10 . 1 1 78 78 ASP N N 78 121.400 121.400 122.974 -1.574 25588 7749 1 10 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.520 0.153 25588 7750 1 10 . 1 1 78 78 ASP C C 78 173.900 173.900 178.061 -4.161 25588 7751 1 10 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.823 -2.923 25588 7752 1 10 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.568 -3.058 25588 7753 1 10 . 1 1 78 78 ASP H H 78 8.191 8.191 8.530 -0.339 25588 7754 1 10 . 1 1 79 79 THR N N 79 114.600 114.600 111.502 3.098 25588 7755 1 10 . 1 1 79 79 THR HA H 79 4.263 4.263 3.963 0.300 25588 7756 1 10 . 1 1 79 79 THR C C 79 171.900 171.900 175.746 -3.846 25588 7757 1 10 . 1 1 79 79 THR CA C 79 59.510 59.510 65.317 -5.807 25588 7758 1 10 . 1 1 79 79 THR CB C 79 67.090 67.090 68.870 -1.780 25588 7759 1 10 . 1 1 79 79 THR H H 79 8.063 8.063 8.426 -0.363 25588 7760 1 10 . 1 1 80 80 ASP N N 80 123.100 123.100 120.819 2.281 25588 7761 1 10 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.509 0.203 25588 7762 1 10 . 1 1 80 80 ASP C C 80 173.900 173.900 178.152 -4.252 25588 7763 1 10 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.077 -4.177 25588 7764 1 10 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.606 -0.936 25588 7765 1 10 . 1 1 80 80 ASP H H 80 8.423 8.423 8.677 -0.254 25588 7766 1 10 . 1 1 81 81 SER N N 81 116.900 116.900 116.090 0.810 25588 7767 1 10 . 1 1 81 81 SER HA H 81 4.498 4.498 4.145 0.353 25588 7768 1 10 . 1 1 81 81 SER C C 81 172.700 172.700 176.064 -3.364 25588 7769 1 10 . 1 1 81 81 SER CA C 81 56.360 56.360 61.912 -5.552 25588 7770 1 10 . 1 1 81 81 SER CB C 81 61.310 61.310 63.074 -1.764 25588 7771 1 10 . 1 1 81 81 SER H H 81 8.357 8.357 7.974 0.383 25588 7772 1 10 . 1 1 82 82 GLU N N 82 122.800 122.800 122.358 0.442 25588 7773 1 10 . 1 1 82 82 GLU HA H 82 4.128 4.128 4.042 0.086 25588 7774 1 10 . 1 1 82 82 GLU C C 82 175.300 175.300 178.803 -3.503 25588 7775 1 10 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.931 -3.660 25588 7776 1 10 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.511 -2.761 25588 7777 1 10 . 1 1 82 82 GLU H H 82 8.532 8.532 7.937 0.595 25588 7778 1 10 . 1 1 83 83 GLU N N 83 119.400 119.400 117.991 1.409 25588 7779 1 10 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.049 -0.015 25588 7780 1 10 . 1 1 83 83 GLU C C 83 176.000 176.000 179.098 -3.098 25588 7781 1 10 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.971 -1.901 25588 7782 1 10 . 1 1 83 83 GLU H H 83 8.365 8.365 7.762 0.603 25588 7783 1 10 . 1 1 84 84 GLU N N 84 118.700 118.700 119.475 -0.775 25588 7784 1 10 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.130 0.017 25588 7785 1 10 . 1 1 84 84 GLU C C 84 177.000 177.000 179.421 -2.421 25588 7786 1 10 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.709 -2.039 25588 7787 1 10 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.705 -2.905 25588 7788 1 10 . 1 1 84 84 GLU H H 84 8.073 8.073 7.458 0.615 25588 7789 1 10 . 1 1 85 85 ILE N N 85 122.200 122.200 119.748 2.452 25588 7790 1 10 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.773 0.221 25588 7791 1 10 . 1 1 85 85 ILE C C 85 175.300 175.300 177.629 -2.329 25588 7792 1 10 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.139 -2.009 25588 7793 1 10 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.674 -3.174 25588 7794 1 10 . 1 1 85 85 ILE H H 85 8.043 8.043 8.866 -0.823 25588 7795 1 10 . 1 1 86 86 ARG N N 86 121.700 121.700 119.770 1.930 25588 7796 1 10 . 1 1 86 86 ARG C C 86 176.700 176.700 178.856 -2.156 25588 7797 1 10 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.567 -2.207 25588 7798 1 10 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.620 -2.570 25588 7799 1 10 . 1 1 86 86 ARG H H 86 8.415 8.415 7.740 0.675 25588 7800 1 10 . 1 1 87 87 GLU N N 87 118.600 118.600 119.732 -1.132 25588 7801 1 10 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.106 0.003 25588 7802 1 10 . 1 1 87 87 GLU C C 87 175.900 175.900 177.819 -1.919 25588 7803 1 10 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.907 -2.477 25588 7804 1 10 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.282 -2.732 25588 7805 1 10 . 1 1 87 87 GLU H H 87 8.056 8.056 7.793 0.264 25588 7806 1 10 . 1 1 88 88 ALA N N 88 122.000 122.000 120.565 1.435 25588 7807 1 10 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.247 -0.029 25588 7808 1 10 . 1 1 88 88 ALA C C 88 176.600 176.600 178.838 -2.238 25588 7809 1 10 . 1 1 88 88 ALA CA C 88 52.450 52.450 53.708 -1.258 25588 7810 1 10 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.149 -2.849 25588 7811 1 10 . 1 1 88 88 ALA H H 88 7.934 7.934 7.452 0.482 25588 7812 1 10 . 1 1 89 89 PHE N N 89 118.900 118.900 120.976 -2.076 25588 7813 1 10 . 1 1 89 89 PHE HA H 89 3.151 3.151 3.984 -0.833 25588 7814 1 10 . 1 1 89 89 PHE C C 89 173.800 173.800 176.853 -3.053 25588 7815 1 10 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.468 -1.968 25588 7816 1 10 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.712 -2.341 25588 7817 1 10 . 1 1 89 89 PHE H H 89 8.537 8.537 7.817 0.720 25588 7818 1 10 . 1 1 90 90 ARG N N 90 115.600 115.600 118.505 -2.905 25588 7819 1 10 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.554 0.310 25588 7820 1 10 . 1 1 90 90 ARG C C 90 175.500 175.500 177.990 -2.490 25588 7821 1 10 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.146 -3.036 25588 7822 1 10 . 1 1 90 90 ARG CB C 90 27.650 27.650 29.928 -2.278 25588 7823 1 10 . 1 1 90 90 ARG H H 90 7.656 7.656 7.894 -0.238 25588 7824 1 10 . 1 1 91 91 VAL N N 91 118.300 118.300 118.204 0.096 25588 7825 1 10 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.683 -0.196 25588 7826 1 10 . 1 1 91 91 VAL C C 91 174.700 174.700 178.186 -3.486 25588 7827 1 10 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.637 -2.627 25588 7828 1 10 . 1 1 91 91 VAL H H 91 7.496 7.496 7.631 -0.135 25588 7829 1 10 . 1 1 92 92 PHE N N 92 116.300 116.300 119.159 -2.859 25588 7830 1 10 . 1 1 92 92 PHE C C 92 174.300 174.300 175.947 -1.647 25588 7831 1 10 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.455 -3.045 25588 7832 1 10 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.668 -2.048 25588 7833 1 10 . 1 1 92 92 PHE H H 92 7.460 7.460 8.442 -0.982 25588 7834 1 10 . 1 1 93 93 ASP N N 93 116.900 116.900 116.620 0.280 25588 7835 1 10 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.626 -0.122 25588 7836 1 10 . 1 1 93 93 ASP C C 93 174.900 174.900 175.443 -0.543 25588 7837 1 10 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.830 -3.290 25588 7838 1 10 . 1 1 93 93 ASP H H 93 7.821 7.821 7.902 -0.081 25588 7839 1 10 . 1 1 94 94 LYS N N 94 125.900 125.900 124.252 1.648 25588 7840 1 10 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.027 -0.139 25588 7841 1 10 . 1 1 94 94 LYS C C 94 175.700 175.700 177.564 -1.864 25588 7842 1 10 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.499 -2.089 25588 7843 1 10 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.482 -2.312 25588 7844 1 10 . 1 1 94 94 LYS H H 94 7.689 7.689 8.436 -0.747 25588 7845 1 10 . 1 1 95 95 ASP N N 95 114.000 114.000 115.799 -1.799 25588 7846 1 10 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.343 0.211 25588 7847 1 10 . 1 1 95 95 ASP C C 95 175.100 175.100 178.082 -2.982 25588 7848 1 10 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.295 -4.976 25588 7849 1 10 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.737 -3.747 25588 7850 1 10 . 1 1 95 95 ASP H H 95 8.179 8.179 8.094 0.085 25588 7851 1 10 . 1 1 96 96 GLY N N 96 109.300 109.300 110.092 -0.792 25588 7852 1 10 . 1 1 96 96 GLY C C 96 172.500 172.500 175.386 -2.886 25588 7853 1 10 . 1 1 96 96 GLY CA C 96 44.500 44.500 47.007 -2.507 25588 7854 1 10 . 1 1 96 96 GLY H H 96 7.765 7.765 8.437 -0.672 25588 7855 1 10 . 1 1 97 97 ASN N N 97 119.600 119.600 123.356 -3.756 25588 7856 1 10 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.570 0.074 25588 7857 1 10 . 1 1 97 97 ASN C C 97 173.400 173.400 175.582 -2.182 25588 7858 1 10 . 1 1 97 97 ASN CA C 97 50.070 50.070 53.677 -3.607 25588 7859 1 10 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.880 -3.360 25588 7860 1 10 . 1 1 97 97 ASN H H 97 8.302 8.302 8.569 -0.267 25588 7861 1 10 . 1 1 98 98 GLY N N 98 113.000 113.000 105.881 7.119 25588 7862 1 10 . 1 1 98 98 GLY C C 98 169.800 169.800 172.234 -2.434 25588 7863 1 10 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.291 -1.782 25588 7864 1 10 . 1 1 98 98 GLY H H 98 10.620 10.620 7.357 3.263 25588 7865 1 10 . 1 1 99 99 TYR N N 99 115.900 115.900 117.956 -2.056 25588 7866 1 10 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.625 0.411 25588 7867 1 10 . 1 1 99 99 TYR C C 99 171.900 171.900 175.745 -3.845 25588 7868 1 10 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.936 -3.546 25588 7869 1 10 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.200 -0.670 25588 7870 1 10 . 1 1 99 99 TYR H H 99 7.597 7.597 7.919 -0.322 25588 7871 1 10 . 1 1 100 100 ILE N N 100 127.400 127.400 123.785 3.615 25588 7872 1 10 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.264 0.515 25588 7873 1 10 . 1 1 100 100 ILE C C 100 172.900 172.900 176.341 -3.441 25588 7874 1 10 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.154 -3.494 25588 7875 1 10 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.591 -2.641 25588 7876 1 10 . 1 1 100 100 ILE H H 100 10.120 10.120 8.408 1.712 25588 7877 1 10 . 1 1 101 101 SER N N 101 123.800 123.800 123.583 0.217 25588 7878 1 10 . 1 1 101 101 SER C C 101 172.600 172.600 175.762 -3.162 25588 7879 1 10 . 1 1 101 101 SER CA C 101 53.180 53.180 57.347 -4.167 25588 7880 1 10 . 1 1 101 101 SER CB C 101 63.970 63.970 65.541 -1.571 25588 7881 1 10 . 1 1 101 101 SER H H 101 8.944 8.944 8.183 0.761 25588 7882 1 10 . 1 1 102 102 ALA N N 102 122.900 122.900 124.228 -1.328 25588 7883 1 10 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.095 -0.181 25588 7884 1 10 . 1 1 102 102 ALA C C 102 176.700 176.700 178.977 -2.277 25588 7885 1 10 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.274 -1.974 25588 7886 1 10 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.500 -3.050 25588 7887 1 10 . 1 1 102 102 ALA H H 102 9.178 9.178 9.040 0.138 25588 7888 1 10 . 1 1 103 103 ALA N N 103 118.400 118.400 121.741 -3.341 25588 7889 1 10 . 1 1 103 103 ALA C C 103 178.700 178.700 179.788 -1.088 25588 7890 1 10 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.904 -2.353 25588 7891 1 10 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.297 -2.417 25588 7892 1 10 . 1 1 103 103 ALA H H 103 8.205 8.205 7.858 0.347 25588 7893 1 10 . 1 1 104 104 GLU N N 104 119.700 119.700 118.627 1.073 25588 7894 1 10 . 1 1 104 104 GLU C C 104 176.600 176.600 179.015 -2.415 25588 7895 1 10 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.978 -2.338 25588 7896 1 10 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.681 -3.041 25588 7897 1 10 . 1 1 104 104 GLU H H 104 7.835 7.835 7.635 0.200 25588 7898 1 10 . 1 1 105 105 LEU N N 105 121.000 121.000 121.154 -0.154 25588 7899 1 10 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.066 0.033 25588 7900 1 10 . 1 1 105 105 LEU C C 105 175.800 175.800 178.180 -2.380 25588 7901 1 10 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.742 -2.082 25588 7902 1 10 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.950 -7.390 25588 7903 1 10 . 1 1 105 105 LEU H H 105 8.571 8.571 8.268 0.303 25588 7904 1 10 . 1 1 106 106 ARG N N 106 117.500 117.500 118.602 -1.102 25588 7905 1 10 . 1 1 106 106 ARG C C 106 176.000 176.000 177.739 -1.739 25588 7906 1 10 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.351 -3.121 25588 7907 1 10 . 1 1 106 106 ARG H H 106 8.522 8.522 8.016 0.506 25588 7908 1 10 . 1 1 107 107 HIS N N 107 119.000 119.000 116.639 2.361 25588 7909 1 10 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.330 -0.044 25588 7910 1 10 . 1 1 107 107 HIS C C 107 174.900 174.900 177.359 -2.459 25588 7911 1 10 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.606 -2.516 25588 7912 1 10 . 1 1 107 107 HIS H H 107 7.889 7.889 8.023 -0.134 25588 7913 1 10 . 1 1 108 108 VAL N N 108 118.900 118.900 119.497 -0.597 25588 7914 1 10 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.592 -0.107 25588 7915 1 10 . 1 1 108 108 VAL C C 108 175.400 175.400 178.003 -2.603 25588 7916 1 10 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.077 -2.557 25588 7917 1 10 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.504 -2.304 25588 7918 1 10 . 1 1 108 108 VAL H H 108 7.958 7.958 7.476 0.482 25588 7919 1 10 . 1 1 109 109 MET N N 109 116.400 116.400 117.865 -1.465 25588 7920 1 10 . 1 1 109 109 MET HA H 109 4.331 4.331 4.127 0.204 25588 7921 1 10 . 1 1 109 109 MET C C 109 176.000 176.000 178.803 -2.803 25588 7922 1 10 . 1 1 109 109 MET CA C 109 54.910 54.910 57.700 -2.790 25588 7923 1 10 . 1 1 109 109 MET CB C 109 28.750 28.750 31.030 -2.280 25588 7924 1 10 . 1 1 109 109 MET H H 109 8.247 8.247 8.057 0.190 25588 7925 1 10 . 1 1 110 110 THR N N 110 114.900 114.900 114.769 0.131 25588 7926 1 10 . 1 1 110 110 THR HA H 110 4.152 4.152 4.168 -0.016 25588 7927 1 10 . 1 1 110 110 THR C C 110 175.000 175.000 175.665 -0.665 25588 7928 1 10 . 1 1 110 110 THR CA C 110 63.270 63.270 65.787 -2.517 25588 7929 1 10 . 1 1 110 110 THR CB C 110 66.230 66.230 68.573 -2.343 25588 7930 1 10 . 1 1 110 110 THR H H 110 8.125 8.125 7.732 0.393 25588 7931 1 10 . 1 1 111 111 ASN N N 111 122.200 122.200 118.030 4.170 25588 7932 1 10 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.464 -0.027 25588 7933 1 10 . 1 1 111 111 ASN C C 111 173.700 173.700 177.392 -3.692 25588 7934 1 10 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.360 -2.290 25588 7935 1 10 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.292 -2.473 25588 7936 1 10 . 1 1 111 111 ASN H H 111 7.867 7.867 7.465 0.402 25588 7937 1 10 . 1 1 112 112 LEU N N 112 119.100 119.100 119.089 0.011 25588 7938 1 10 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.084 0.249 25588 7939 1 10 . 1 1 112 112 LEU C C 112 174.700 174.700 176.723 -2.023 25588 7940 1 10 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.544 -3.784 25588 7941 1 10 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.705 -3.255 25588 7942 1 10 . 1 1 112 112 LEU H H 112 7.850 7.850 7.285 0.565 25588 7943 1 10 . 1 1 113 113 GLY N N 113 106.800 106.800 103.646 3.154 25588 7944 1 10 . 1 1 113 113 GLY C C 113 171.700 171.700 172.236 -0.536 25588 7945 1 10 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.209 -2.419 25588 7946 1 10 . 1 1 113 113 GLY H H 113 7.830 7.830 7.473 0.357 25588 7947 1 10 . 1 1 114 114 GLU N N 114 120.600 120.600 119.097 1.503 25588 7948 1 10 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.619 -0.219 25588 7949 1 10 . 1 1 114 114 GLU C C 114 172.800 172.800 177.296 -4.496 25588 7950 1 10 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.270 -3.600 25588 7951 1 10 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.814 -2.854 25588 7952 1 10 . 1 1 114 114 GLU H H 114 7.914 7.914 8.704 -0.790 25588 7953 1 10 . 1 1 115 115 LYS N N 115 124.000 124.000 119.798 4.202 25588 7954 1 10 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.128 0.229 25588 7955 1 10 . 1 1 115 115 LYS C C 115 173.000 173.000 176.530 -3.530 25588 7956 1 10 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.070 -5.050 25588 7957 1 10 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.590 -3.180 25588 7958 1 10 . 1 1 115 115 LYS H H 115 8.505 8.505 8.380 0.125 25588 7959 1 10 . 1 1 116 116 LEU N N 116 125.000 125.000 118.367 6.633 25588 7960 1 10 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.401 0.358 25588 7961 1 10 . 1 1 116 116 LEU C C 116 175.300 175.300 177.039 -1.739 25588 7962 1 10 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.943 -2.523 25588 7963 1 10 . 1 1 116 116 LEU CB C 116 42.110 42.110 42.893 -0.783 25588 7964 1 10 . 1 1 116 116 LEU H H 116 8.076 8.076 7.730 0.346 25588 7965 1 10 . 1 1 117 117 THR N N 117 114.500 114.500 111.134 3.366 25588 7966 1 10 . 1 1 117 117 THR HA H 117 4.453 4.453 4.255 0.198 25588 7967 1 10 . 1 1 117 117 THR C C 117 172.800 172.800 174.210 -1.410 25588 7968 1 10 . 1 1 117 117 THR CA C 117 57.970 57.970 61.715 -3.745 25588 7969 1 10 . 1 1 117 117 THR CB C 117 68.610 68.610 69.980 -1.370 25588 7970 1 10 . 1 1 117 117 THR H H 117 9.116 9.116 8.170 0.946 25588 7971 1 10 . 1 1 118 118 ASP N N 118 121.000 121.000 119.220 1.780 25588 7972 1 10 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.638 -0.442 25588 7973 1 10 . 1 1 118 118 ASP C C 118 175.900 175.900 177.643 -1.743 25588 7974 1 10 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.179 -0.819 25588 7975 1 10 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.981 -3.871 25588 7976 1 10 . 1 1 118 118 ASP H H 118 8.847 8.847 8.641 0.206 25588 7977 1 10 . 1 1 119 119 GLU N N 119 119.100 119.100 119.367 -0.267 25588 7978 1 10 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.438 -0.368 25588 7979 1 10 . 1 1 119 119 GLU C C 119 176.500 176.500 177.590 -1.090 25588 7980 1 10 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.785 -1.506 25588 7981 1 10 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.593 -3.163 25588 7982 1 10 . 1 1 119 119 GLU H H 119 8.626 8.626 8.421 0.205 25588 7983 1 10 . 1 1 120 120 GLU N N 120 120.500 120.500 118.339 2.161 25588 7984 1 10 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.057 -0.067 25588 7985 1 10 . 1 1 120 120 GLU C C 120 177.400 177.400 178.693 -1.293 25588 7986 1 10 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.344 -2.754 25588 7987 1 10 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.167 -0.377 25588 7988 1 10 . 1 1 120 120 GLU H H 120 7.724 7.724 8.840 -1.116 25588 7989 1 10 . 1 1 121 121 VAL N N 121 121.100 121.100 114.749 6.351 25588 7990 1 10 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.801 -0.214 25588 7991 1 10 . 1 1 121 121 VAL C C 121 174.600 174.600 177.740 -3.140 25588 7992 1 10 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.271 -0.961 25588 7993 1 10 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.408 -3.028 25588 7994 1 10 . 1 1 121 121 VAL H H 121 8.062 8.062 7.917 0.145 25588 7995 1 10 . 1 1 122 122 ASP N N 122 119.600 119.600 121.921 -2.321 25588 7996 1 10 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.345 -0.036 25588 7997 1 10 . 1 1 122 122 ASP C C 122 176.500 176.500 178.838 -2.338 25588 7998 1 10 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.328 -2.328 25588 7999 1 10 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.086 -2.186 25588 8000 1 10 . 1 1 122 122 ASP H H 122 8.007 8.007 7.748 0.259 25588 8001 1 10 . 1 1 123 123 GLU N N 123 119.300 119.300 119.199 0.101 25588 8002 1 10 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.068 -0.070 25588 8003 1 10 . 1 1 123 123 GLU C C 123 175.400 175.400 178.716 -3.316 25588 8004 1 10 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.594 -1.935 25588 8005 1 10 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.480 -2.690 25588 8006 1 10 . 1 1 123 123 GLU H H 123 7.967 7.967 8.068 -0.101 25588 8007 1 10 . 1 1 124 124 MET N N 124 119.600 119.600 120.796 -1.196 25588 8008 1 10 . 1 1 124 124 MET HA H 124 4.033 4.033 4.542 -0.509 25588 8009 1 10 . 1 1 124 124 MET C C 124 176.500 176.500 178.599 -2.099 25588 8010 1 10 . 1 1 124 124 MET CA C 124 56.970 56.970 58.452 -1.482 25588 8011 1 10 . 1 1 124 124 MET CB C 124 30.470 30.470 32.315 -1.845 25588 8012 1 10 . 1 1 124 124 MET H H 124 7.789 7.789 7.835 -0.046 25588 8013 1 10 . 1 1 125 125 ILE N N 125 118.500 118.500 116.267 2.233 25588 8014 1 10 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.775 -0.276 25588 8015 1 10 . 1 1 125 125 ILE C C 125 174.600 174.600 177.416 -2.816 25588 8016 1 10 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.641 -2.451 25588 8017 1 10 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.521 -4.011 25588 8018 1 10 . 1 1 125 125 ILE H H 125 7.940 7.940 7.713 0.227 25588 8019 1 10 . 1 1 126 126 ARG N N 126 118.300 118.300 119.026 -0.726 25588 8020 1 10 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.201 -0.193 25588 8021 1 10 . 1 1 126 126 ARG C C 126 176.800 176.800 178.447 -1.647 25588 8022 1 10 . 1 1 126 126 ARG CA C 126 57.100 57.100 58.975 -1.875 25588 8023 1 10 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.611 -3.041 25588 8024 1 10 . 1 1 126 126 ARG H H 126 8.168 8.168 7.934 0.234 25588 8025 1 10 . 1 1 127 127 GLU N N 127 116.300 116.300 119.604 -3.304 25588 8026 1 10 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.183 -0.200 25588 8027 1 10 . 1 1 127 127 GLU C C 127 174.700 174.700 177.580 -2.880 25588 8028 1 10 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.333 -2.453 25588 8029 1 10 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.591 -2.651 25588 8030 1 10 . 1 1 127 127 GLU H H 127 7.918 7.918 8.415 -0.497 25588 8031 1 10 . 1 1 128 128 ALA N N 128 119.100 119.100 121.045 -1.945 25588 8032 1 10 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.027 0.391 25588 8033 1 10 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.162 -4.652 25588 8034 1 10 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.793 -0.053 25588 8035 1 10 . 1 1 128 128 ALA H H 128 7.354 7.354 7.545 -0.191 25588 8036 1 10 . 1 1 129 129 ASP N N 129 117.400 117.400 118.003 -0.603 25588 8037 1 10 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.685 -0.183 25588 8038 1 10 . 1 1 129 129 ASP C C 129 173.400 173.400 176.798 -3.398 25588 8039 1 10 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.125 -1.715 25588 8040 1 10 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.817 -5.117 25588 8041 1 10 . 1 1 129 129 ASP H H 129 7.871 7.871 7.521 0.350 25588 8042 1 10 . 1 1 130 130 ILE N N 130 128.000 128.000 117.587 10.413 25588 8043 1 10 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.248 -0.331 25588 8044 1 10 . 1 1 130 130 ILE C C 130 175.300 175.300 176.021 -0.721 25588 8045 1 10 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.287 -0.577 25588 8046 1 10 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.795 -1.985 25588 8047 1 10 . 1 1 130 130 ILE H H 130 8.384 8.384 8.304 0.080 25588 8048 1 10 . 1 1 131 131 ASP N N 131 116.800 116.800 122.235 -5.435 25588 8049 1 10 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.491 0.059 25588 8050 1 10 . 1 1 131 131 ASP C C 131 175.600 175.600 177.713 -2.113 25588 8051 1 10 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.386 -5.166 25588 8052 1 10 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.335 -4.105 25588 8053 1 10 . 1 1 131 131 ASP H H 131 8.281 8.281 8.654 -0.373 25588 8054 1 10 . 1 1 132 132 GLY N N 132 108.500 108.500 107.762 0.738 25588 8055 1 10 . 1 1 132 132 GLY C C 132 172.600 172.600 174.682 -2.082 25588 8056 1 10 . 1 1 132 132 GLY CA C 132 44.850 44.850 45.910 -1.060 25588 8057 1 10 . 1 1 132 132 GLY H H 132 7.575 7.575 8.751 -1.176 25588 8058 1 10 . 1 1 133 133 ASP N N 133 120.800 120.800 117.105 3.695 25588 8059 1 10 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.642 -0.178 25588 8060 1 10 . 1 1 133 133 ASP C C 133 174.900 174.900 176.761 -1.861 25588 8061 1 10 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.224 -2.234 25588 8062 1 10 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.299 -2.709 25588 8063 1 10 . 1 1 133 133 ASP H H 133 8.326 8.326 8.065 0.261 25588 8064 1 10 . 1 1 134 134 GLY N N 134 112.900 112.900 108.727 4.173 25588 8065 1 10 . 1 1 134 134 GLY C C 134 170.200 170.200 173.572 -3.372 25588 8066 1 10 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.419 -2.369 25588 8067 1 10 . 1 1 134 134 GLY H H 134 10.310 10.310 8.124 2.186 25588 8068 1 10 . 1 1 135 135 GLN N N 135 115.400 115.400 120.668 -5.268 25588 8069 1 10 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.600 0.260 25588 8070 1 10 . 1 1 135 135 GLN C C 135 172.100 172.100 173.691 -1.591 25588 8071 1 10 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.652 -4.122 25588 8072 1 10 . 1 1 135 135 GLN CB C 135 30.020 30.020 31.959 -1.939 25588 8073 1 10 . 1 1 135 135 GLN H H 135 7.937 7.937 8.320 -0.383 25588 8074 1 10 . 1 1 136 136 VAL N N 136 125.500 125.500 124.005 1.495 25588 8075 1 10 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.789 0.401 25588 8076 1 10 . 1 1 136 136 VAL C C 136 173.200 173.200 174.758 -1.558 25588 8077 1 10 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.915 -1.815 25588 8078 1 10 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.013 -3.093 25588 8079 1 10 . 1 1 136 136 VAL H H 136 9.112 9.112 8.607 0.505 25588 8080 1 10 . 1 1 137 137 ASN N N 137 129.000 129.000 123.538 5.462 25588 8081 1 10 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.173 0.059 25588 8082 1 10 . 1 1 137 137 ASN C C 137 172.200 172.200 174.918 -2.718 25588 8083 1 10 . 1 1 137 137 ASN CA C 137 48.460 48.460 52.136 -3.676 25588 8084 1 10 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.959 -6.269 25588 8085 1 10 . 1 1 137 137 ASN H H 137 9.509 9.509 8.697 0.812 25588 8086 1 10 . 1 1 138 138 TYR N N 138 118.400 118.400 122.801 -4.401 25588 8087 1 10 . 1 1 138 138 TYR HA H 138 3.424 3.424 3.769 -0.345 25588 8088 1 10 . 1 1 138 138 TYR C C 138 173.500 173.500 176.781 -3.281 25588 8089 1 10 . 1 1 138 138 TYR CA C 138 60.030 60.030 61.195 -1.165 25588 8090 1 10 . 1 1 138 138 TYR H H 138 8.420 8.420 9.045 -0.625 25588 8091 1 10 . 1 1 139 139 GLU N N 139 118.400 118.400 117.519 0.881 25588 8092 1 10 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.559 0.082 25588 8093 1 10 . 1 1 139 139 GLU C C 139 177.900 177.900 178.656 -0.756 25588 8094 1 10 . 1 1 139 139 GLU CA C 139 57.740 57.740 59.609 -1.869 25588 8095 1 10 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.760 -2.370 25588 8096 1 10 . 1 1 139 139 GLU H H 139 8.066 8.066 8.659 -0.593 25588 8097 1 10 . 1 1 140 140 GLU N N 140 119.900 119.900 119.629 0.271 25588 8098 1 10 . 1 1 140 140 GLU C C 140 176.700 176.700 178.633 -1.933 25588 8099 1 10 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.111 -2.211 25588 8100 1 10 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.747 -2.547 25588 8101 1 10 . 1 1 140 140 GLU H H 140 8.728 8.728 8.391 0.337 25588 8102 1 10 . 1 1 141 141 PHE N N 141 124.600 124.600 120.960 3.640 25588 8103 1 10 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.175 -0.191 25588 8104 1 10 . 1 1 141 141 PHE C C 141 174.200 174.200 177.373 -3.173 25588 8105 1 10 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.338 -2.378 25588 8106 1 10 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.436 -1.166 25588 8107 1 10 . 1 1 141 141 PHE H H 141 8.920 8.920 7.787 1.133 25588 8108 1 10 . 1 1 142 142 VAL N N 142 119.300 119.300 117.218 2.082 25588 8109 1 10 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.655 -0.534 25588 8110 1 10 . 1 1 142 142 VAL C C 142 176.900 176.900 177.520 -0.620 25588 8111 1 10 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.139 -1.709 25588 8112 1 10 . 1 1 142 142 VAL H H 142 8.536 8.536 7.250 1.286 25588 8113 1 10 . 1 1 143 143 GLN N N 143 118.200 118.200 116.901 1.299 25588 8114 1 10 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.037 -0.186 25588 8115 1 10 . 1 1 143 143 GLN C C 143 175.300 175.300 177.271 -1.971 25588 8116 1 10 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.744 -1.484 25588 8117 1 10 . 1 1 143 143 GLN H H 143 7.404 7.404 7.582 -0.178 25588 8118 1 10 . 1 1 144 144 MET N N 144 119.400 119.400 117.896 1.504 25588 8119 1 10 . 1 1 144 144 MET HA H 144 4.107 4.107 4.149 -0.042 25588 8120 1 10 . 1 1 144 144 MET C C 144 175.400 175.400 176.715 -1.315 25588 8121 1 10 . 1 1 144 144 MET CA C 144 55.500 55.500 58.139 -2.639 25588 8122 1 10 . 1 1 144 144 MET CB C 144 30.460 30.460 33.515 -3.055 25588 8123 1 10 . 1 1 144 144 MET H H 144 7.878 7.878 7.956 -0.078 25588 8124 1 10 . 1 1 145 145 MET N N 145 115.000 115.000 117.097 -2.097 25588 8125 1 10 . 1 1 145 145 MET HA H 145 4.281 4.281 4.625 -0.344 25588 8126 1 10 . 1 1 145 145 MET C C 145 174.900 174.900 174.450 0.450 25588 8127 1 10 . 1 1 145 145 MET CA C 145 52.740 52.740 55.175 -2.435 25588 8128 1 10 . 1 1 145 145 MET H H 145 7.852 7.852 7.459 0.393 25588 8129 1 10 . 1 1 146 146 THR N N 146 111.100 111.100 117.215 -6.115 25588 8130 1 10 . 1 1 146 146 THR HA H 146 4.306 4.306 4.503 -0.197 25588 8131 1 10 . 1 1 146 146 THR C C 146 171.600 171.600 174.005 -2.405 25588 8132 1 10 . 1 1 146 146 THR CA C 146 59.830 59.830 61.704 -1.874 25588 8133 1 10 . 1 1 146 146 THR CB C 146 67.510 67.510 69.415 -1.905 25588 8134 1 10 . 1 1 146 146 THR H H 146 7.571 7.571 8.170 -0.599 25588 8135 1 10 . 1 1 147 147 ALA N N 147 126.300 126.300 128.619 -2.319 25588 8136 1 10 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.102 0.198 25588 8137 1 10 . 1 1 147 147 ALA C C 147 174.000 174.000 177.256 -3.256 25588 8138 1 10 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.302 -4.112 25588 8139 1 10 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.460 -2.980 25588 8140 1 10 . 1 1 147 147 ALA H H 147 7.723 7.723 8.481 -0.758 25588 8141 1 11 . 1 1 2 2 ASP N N 2 118.400 118.400 120.694 -2.294 25588 8142 1 11 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.737 -0.123 25588 8143 1 11 . 1 1 2 2 ASP C C 2 173.000 173.000 176.476 -3.476 25588 8144 1 11 . 1 1 2 2 ASP CA C 2 52.020 52.020 53.942 -1.922 25588 8145 1 11 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.326 -2.506 25588 8146 1 11 . 1 1 2 2 ASP H H 2 8.311 8.311 8.476 -0.165 25588 8147 1 11 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.235 0.119 25588 8148 1 11 . 1 1 3 3 GLN C C 3 173.000 173.000 175.982 -2.982 25588 8149 1 11 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.434 -3.524 25588 8150 1 11 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.565 -2.415 25588 8151 1 11 . 1 1 3 3 GLN H H 3 8.321 8.321 8.615 -0.294 25588 8152 1 11 . 1 1 4 4 LEU N N 4 123.200 123.200 121.493 1.707 25588 8153 1 11 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.866 -0.216 25588 8154 1 11 . 1 1 4 4 LEU C C 4 175.100 175.100 175.959 -0.859 25588 8155 1 11 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.209 -2.419 25588 8156 1 11 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.443 -2.583 25588 8157 1 11 . 1 1 4 4 LEU H H 4 8.268 8.268 7.640 0.628 25588 8158 1 11 . 1 1 5 5 THR N N 5 113.000 113.000 115.966 -2.966 25588 8159 1 11 . 1 1 5 5 THR HA H 5 4.754 4.754 4.663 0.091 25588 8160 1 11 . 1 1 5 5 THR C C 5 172.800 172.800 174.791 -1.991 25588 8161 1 11 . 1 1 5 5 THR CA C 5 57.880 57.880 59.904 -2.025 25588 8162 1 11 . 1 1 5 5 THR CB C 5 68.480 68.480 71.966 -3.486 25588 8163 1 11 . 1 1 5 5 THR H H 5 8.682 8.682 8.450 0.232 25588 8164 1 11 . 1 1 6 6 GLU N N 6 120.500 120.500 122.529 -2.029 25588 8165 1 11 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.013 -0.050 25588 8166 1 11 . 1 1 6 6 GLU C C 6 176.800 176.800 178.313 -1.513 25588 8167 1 11 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.782 -2.352 25588 8168 1 11 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.719 -3.199 25588 8169 1 11 . 1 1 6 6 GLU H H 6 8.990 8.990 8.994 -0.004 25588 8170 1 11 . 1 1 7 7 GLU N N 7 119.600 119.600 118.889 0.711 25588 8171 1 11 . 1 1 7 7 GLU HA H 7 4.069 4.069 3.965 0.104 25588 8172 1 11 . 1 1 7 7 GLU C C 7 176.500 176.500 179.059 -2.559 25588 8173 1 11 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.428 -2.048 25588 8174 1 11 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.274 -2.844 25588 8175 1 11 . 1 1 7 7 GLU H H 7 8.668 8.668 8.585 0.083 25588 8176 1 11 . 1 1 8 8 GLN N N 8 120.100 120.100 117.990 2.110 25588 8177 1 11 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.048 -0.179 25588 8178 1 11 . 1 1 8 8 GLN C C 8 175.700 175.700 178.789 -3.089 25588 8179 1 11 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.825 -2.875 25588 8180 1 11 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.680 -1.870 25588 8181 1 11 . 1 1 8 8 GLN H H 8 7.721 7.721 7.594 0.127 25588 8182 1 11 . 1 1 9 9 ILE N N 9 119.600 119.600 119.043 0.557 25588 8183 1 11 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.949 -0.237 25588 8184 1 11 . 1 1 9 9 ILE C C 9 175.100 175.100 177.838 -2.738 25588 8185 1 11 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.296 -0.766 25588 8186 1 11 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.766 -2.686 25588 8187 1 11 . 1 1 9 9 ILE H H 9 8.373 8.373 7.293 1.080 25588 8188 1 11 . 1 1 10 10 ALA N N 10 121.300 121.300 122.264 -0.964 25588 8189 1 11 . 1 1 10 10 ALA C C 10 178.400 178.400 179.263 -0.863 25588 8190 1 11 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.234 -2.444 25588 8191 1 11 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.915 -2.555 25588 8192 1 11 . 1 1 10 10 ALA H H 10 7.984 7.984 8.269 -0.285 25588 8193 1 11 . 1 1 11 11 GLU N N 11 119.500 119.500 119.230 0.270 25588 8194 1 11 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.858 0.289 25588 8195 1 11 . 1 1 11 11 GLU C C 11 177.900 177.900 179.055 -1.155 25588 8196 1 11 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.167 -2.497 25588 8197 1 11 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.166 -2.666 25588 8198 1 11 . 1 1 11 11 GLU H H 11 7.779 7.779 7.749 0.030 25588 8199 1 11 . 1 1 12 12 PHE N N 12 120.200 120.200 118.150 2.050 25588 8200 1 11 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.310 0.710 25588 8201 1 11 . 1 1 12 12 PHE C C 12 176.100 176.100 177.905 -1.805 25588 8202 1 11 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.096 -4.486 25588 8203 1 11 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.811 -3.531 25588 8204 1 11 . 1 1 12 12 PHE H H 12 8.562 8.562 7.703 0.859 25588 8205 1 11 . 1 1 13 13 LYS N N 13 123.500 123.500 120.062 3.438 25588 8206 1 11 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.071 -0.082 25588 8207 1 11 . 1 1 13 13 LYS C C 13 176.700 176.700 179.118 -2.418 25588 8208 1 11 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.775 -2.255 25588 8209 1 11 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.399 -3.089 25588 8210 1 11 . 1 1 13 13 LYS H H 13 9.161 9.161 7.538 1.623 25588 8211 1 11 . 1 1 14 14 GLU N N 14 120.400 120.400 118.334 2.066 25588 8212 1 11 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.160 -0.035 25588 8213 1 11 . 1 1 14 14 GLU C C 14 176.800 176.800 179.018 -2.218 25588 8214 1 11 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.812 -2.082 25588 8215 1 11 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.413 -2.813 25588 8216 1 11 . 1 1 14 14 GLU H H 14 7.786 7.786 8.406 -0.620 25588 8217 1 11 . 1 1 15 15 ALA N N 15 122.600 122.600 121.799 0.801 25588 8218 1 11 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.945 0.338 25588 8219 1 11 . 1 1 15 15 ALA C C 15 176.400 176.400 179.195 -2.795 25588 8220 1 11 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.828 -2.238 25588 8221 1 11 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.095 -2.554 25588 8222 1 11 . 1 1 15 15 ALA H H 15 7.981 7.981 8.021 -0.040 25588 8223 1 11 . 1 1 16 16 PHE N N 16 119.400 119.400 118.093 1.307 25588 8224 1 11 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.496 -1.290 25588 8225 1 11 . 1 1 16 16 PHE C C 16 174.600 174.600 177.361 -2.761 25588 8226 1 11 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.878 -2.518 25588 8227 1 11 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.332 -2.292 25588 8228 1 11 . 1 1 16 16 PHE H H 16 8.796 8.796 7.703 1.093 25588 8229 1 11 . 1 1 17 17 SER N N 17 112.600 112.600 114.538 -1.938 25588 8230 1 11 . 1 1 17 17 SER HA H 17 4.028 4.028 4.369 -0.341 25588 8231 1 11 . 1 1 17 17 SER C C 17 172.400 172.400 175.909 -3.509 25588 8232 1 11 . 1 1 17 17 SER CA C 17 58.820 58.820 61.293 -2.473 25588 8233 1 11 . 1 1 17 17 SER CB C 17 60.680 60.680 63.351 -2.671 25588 8234 1 11 . 1 1 17 17 SER H H 17 7.898 7.898 7.922 -0.024 25588 8235 1 11 . 1 1 18 18 LEU N N 18 121.000 121.000 123.827 -2.827 25588 8236 1 11 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.915 0.080 25588 8237 1 11 . 1 1 18 18 LEU C C 18 175.300 175.300 177.651 -2.351 25588 8238 1 11 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.752 -3.262 25588 8239 1 11 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.406 -2.535 25588 8240 1 11 . 1 1 18 18 LEU H H 18 7.426 7.426 7.353 0.073 25588 8241 1 11 . 1 1 19 19 PHE N N 19 115.200 115.200 115.562 -0.362 25588 8242 1 11 . 1 1 19 19 PHE C C 19 174.100 174.100 178.143 -4.043 25588 8243 1 11 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.540 -4.900 25588 8244 1 11 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.297 -0.047 25588 8245 1 11 . 1 1 19 19 PHE H H 19 7.309 7.309 7.444 -0.135 25588 8246 1 11 . 1 1 20 20 ASP N N 20 117.700 117.700 118.633 -0.933 25588 8247 1 11 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.551 -0.011 25588 8248 1 11 . 1 1 20 20 ASP C C 20 174.500 174.500 178.204 -3.704 25588 8249 1 11 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.686 -4.966 25588 8250 1 11 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.882 -4.682 25588 8251 1 11 . 1 1 20 20 ASP H H 20 7.814 7.814 7.780 0.034 25588 8252 1 11 . 1 1 21 21 LYS N N 21 124.400 124.400 119.211 5.189 25588 8253 1 11 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.917 0.037 25588 8254 1 11 . 1 1 21 21 LYS C C 21 175.500 175.500 177.668 -2.168 25588 8255 1 11 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.033 -3.143 25588 8256 1 11 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.270 -2.209 25588 8257 1 11 . 1 1 21 21 LYS H H 21 7.652 7.652 7.765 -0.113 25588 8258 1 11 . 1 1 22 22 ASP N N 22 113.900 113.900 117.034 -3.134 25588 8259 1 11 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.386 0.199 25588 8260 1 11 . 1 1 22 22 ASP C C 22 175.000 175.000 177.089 -2.089 25588 8261 1 11 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.713 -5.583 25588 8262 1 11 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.962 -4.052 25588 8263 1 11 . 1 1 22 22 ASP H H 22 8.056 8.056 7.730 0.326 25588 8264 1 11 . 1 1 23 23 GLY N N 23 109.200 109.200 108.920 0.280 25588 8265 1 11 . 1 1 23 23 GLY C C 23 172.300 172.300 173.722 -1.422 25588 8266 1 11 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.496 0.094 25588 8267 1 11 . 1 1 23 23 GLY H H 23 7.660 7.660 7.661 -0.001 25588 8268 1 11 . 1 1 24 24 ASP N N 24 118.600 118.600 118.036 0.564 25588 8269 1 11 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.551 0.066 25588 8270 1 11 . 1 1 24 24 ASP C C 24 174.200 174.200 175.733 -1.533 25588 8271 1 11 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.312 -5.342 25588 8272 1 11 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.008 -5.918 25588 8273 1 11 . 1 1 24 24 ASP H H 24 8.052 8.052 8.416 -0.364 25588 8274 1 11 . 1 1 25 25 GLY N N 25 113.400 113.400 107.677 5.723 25588 8275 1 11 . 1 1 25 25 GLY C C 25 170.600 170.600 173.126 -2.526 25588 8276 1 11 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.908 -1.748 25588 8277 1 11 . 1 1 25 25 GLY H H 25 10.570 10.570 7.941 2.629 25588 8278 1 11 . 1 1 26 26 THR N N 26 109.100 109.100 117.453 -8.353 25588 8279 1 11 . 1 1 26 26 THR HA H 26 5.271 5.271 4.421 0.850 25588 8280 1 11 . 1 1 26 26 THR C C 26 170.200 170.200 172.674 -2.474 25588 8281 1 11 . 1 1 26 26 THR CA C 26 57.170 57.170 62.071 -4.901 25588 8282 1 11 . 1 1 26 26 THR CB C 26 69.920 69.920 72.438 -2.518 25588 8283 1 11 . 1 1 26 26 THR H H 26 7.661 7.661 8.124 -0.463 25588 8284 1 11 . 1 1 27 27 ILE N N 27 127.100 127.100 127.060 0.040 25588 8285 1 11 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.620 0.351 25588 8286 1 11 . 1 1 27 27 ILE C C 27 173.400 173.400 174.852 -1.452 25588 8287 1 11 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.982 -2.162 25588 8288 1 11 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.233 -2.513 25588 8289 1 11 . 1 1 27 27 ILE H H 27 9.766 9.766 8.163 1.603 25588 8290 1 11 . 1 1 28 28 THR N N 28 116.500 116.500 117.523 -1.023 25588 8291 1 11 . 1 1 28 28 THR HA H 28 4.802 4.802 4.990 -0.188 25588 8292 1 11 . 1 1 28 28 THR C C 28 173.900 173.900 176.043 -2.143 25588 8293 1 11 . 1 1 28 28 THR CA C 28 56.980 56.980 59.463 -2.483 25588 8294 1 11 . 1 1 28 28 THR CB C 28 69.730 69.730 72.063 -2.333 25588 8295 1 11 . 1 1 28 28 THR H H 28 8.458 8.458 8.373 0.085 25588 8296 1 11 . 1 1 29 29 THR N N 29 112.900 112.900 112.919 -0.019 25588 8297 1 11 . 1 1 29 29 THR HA H 29 4.169 4.169 4.018 0.151 25588 8298 1 11 . 1 1 29 29 THR C C 29 174.500 174.500 176.430 -1.930 25588 8299 1 11 . 1 1 29 29 THR CA C 29 63.940 63.940 66.236 -2.296 25588 8300 1 11 . 1 1 29 29 THR CB C 29 65.170 65.170 68.562 -3.392 25588 8301 1 11 . 1 1 29 29 THR H H 29 9.066 9.066 8.733 0.333 25588 8302 1 11 . 1 1 30 30 LYS N N 30 120.800 120.800 121.922 -1.122 25588 8303 1 11 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.991 0.120 25588 8304 1 11 . 1 1 30 30 LYS C C 30 177.200 177.200 179.024 -1.824 25588 8305 1 11 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.410 -2.880 25588 8306 1 11 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.210 -2.250 25588 8307 1 11 . 1 1 30 30 LYS H H 30 7.664 7.664 7.698 -0.034 25588 8308 1 11 . 1 1 31 31 GLU N N 31 121.400 121.400 119.187 2.213 25588 8309 1 11 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.009 0.056 25588 8310 1 11 . 1 1 31 31 GLU C C 31 176.500 176.500 179.192 -2.692 25588 8311 1 11 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.070 -2.490 25588 8312 1 11 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.751 -2.591 25588 8313 1 11 . 1 1 31 31 GLU H H 31 7.635 7.635 7.466 0.169 25588 8314 1 11 . 1 1 32 32 LEU N N 32 120.600 120.600 121.024 -0.424 25588 8315 1 11 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.333 -0.251 25588 8316 1 11 . 1 1 32 32 LEU C C 32 176.300 176.300 178.937 -2.637 25588 8317 1 11 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.426 -2.016 25588 8318 1 11 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.866 -1.896 25588 8319 1 11 . 1 1 32 32 LEU H H 32 8.699 8.699 7.705 0.994 25588 8320 1 11 . 1 1 33 33 GLY N N 33 105.600 105.600 104.687 0.913 25588 8321 1 11 . 1 1 33 33 GLY C C 33 172.500 172.500 176.056 -3.556 25588 8322 1 11 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.495 -1.775 25588 8323 1 11 . 1 1 33 33 GLY H H 33 8.616 8.616 8.811 -0.195 25588 8324 1 11 . 1 1 34 34 THR N N 34 118.000 118.000 119.210 -1.210 25588 8325 1 11 . 1 1 34 34 THR HA H 34 3.913 3.913 3.981 -0.068 25588 8326 1 11 . 1 1 34 34 THR C C 34 174.500 174.500 176.372 -1.872 25588 8327 1 11 . 1 1 34 34 THR CA C 34 64.250 64.250 66.605 -2.355 25588 8328 1 11 . 1 1 34 34 THR CB C 34 66.100 66.100 68.590 -2.490 25588 8329 1 11 . 1 1 34 34 THR H H 34 7.867 7.867 7.325 0.542 25588 8330 1 11 . 1 1 35 35 VAL N N 35 122.100 122.100 121.332 0.768 25588 8331 1 11 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.635 -0.177 25588 8332 1 11 . 1 1 35 35 VAL C C 35 176.500 176.500 177.318 -0.818 25588 8333 1 11 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.966 -2.336 25588 8334 1 11 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.223 -3.103 25588 8335 1 11 . 1 1 35 35 VAL H H 35 7.613 7.613 7.731 -0.118 25588 8336 1 11 . 1 1 36 36 MET N N 36 118.400 118.400 117.575 0.825 25588 8337 1 11 . 1 1 36 36 MET HA H 36 4.095 4.095 4.040 0.055 25588 8338 1 11 . 1 1 36 36 MET C C 36 176.500 176.500 177.799 -1.299 25588 8339 1 11 . 1 1 36 36 MET CA C 36 56.420 56.420 57.600 -1.180 25588 8340 1 11 . 1 1 36 36 MET H H 36 8.440 8.440 7.502 0.938 25588 8341 1 11 . 1 1 37 37 ARG N N 37 119.000 119.000 118.153 0.847 25588 8342 1 11 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.037 0.764 25588 8343 1 11 . 1 1 37 37 ARG C C 37 178.500 178.500 179.359 -0.859 25588 8344 1 11 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.324 -2.904 25588 8345 1 11 . 1 1 37 37 ARG H H 37 8.474 8.474 8.067 0.407 25588 8346 1 11 . 1 1 38 38 SER N N 38 118.800 118.800 115.120 3.680 25588 8347 1 11 . 1 1 38 38 SER HA H 38 4.380 4.380 4.265 0.115 25588 8348 1 11 . 1 1 38 38 SER C C 38 172.200 172.200 175.631 -3.431 25588 8349 1 11 . 1 1 38 38 SER CA C 38 58.930 58.930 61.547 -2.617 25588 8350 1 11 . 1 1 38 38 SER CB C 38 60.200 60.200 62.791 -2.591 25588 8351 1 11 . 1 1 38 38 SER H H 38 7.899 7.899 8.009 -0.110 25588 8352 1 11 . 1 1 39 39 LEU N N 39 120.600 120.600 118.233 2.367 25588 8353 1 11 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.622 -0.127 25588 8354 1 11 . 1 1 39 39 LEU C C 39 174.800 174.800 177.586 -2.786 25588 8355 1 11 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.974 -2.044 25588 8356 1 11 . 1 1 39 39 LEU H H 39 7.364 7.364 7.373 -0.009 25588 8357 1 11 . 1 1 40 40 GLY N N 40 106.800 106.800 109.418 -2.618 25588 8358 1 11 . 1 1 40 40 GLY C C 40 171.700 171.700 174.368 -2.668 25588 8359 1 11 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.631 -3.661 25588 8360 1 11 . 1 1 40 40 GLY H H 40 7.862 7.862 8.007 -0.145 25588 8361 1 11 . 1 1 41 41 GLN N N 41 118.400 118.400 122.520 -4.120 25588 8362 1 11 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.427 0.053 25588 8363 1 11 . 1 1 41 41 GLN C C 41 171.400 171.400 173.443 -2.043 25588 8364 1 11 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.294 -3.404 25588 8365 1 11 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.260 -3.180 25588 8366 1 11 . 1 1 41 41 GLN H H 41 7.788 7.788 8.571 -0.783 25588 8367 1 11 . 1 1 42 42 ASN N N 42 116.300 116.300 123.081 -6.781 25588 8368 1 11 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.385 -0.192 25588 8369 1 11 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.588 -0.968 25588 8370 1 11 . 1 1 42 42 ASN H H 42 8.665 8.665 8.179 0.486 25588 8371 1 11 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.085 0.650 25588 8372 1 11 . 1 1 43 43 PRO C C 43 175.100 175.100 178.158 -3.058 25588 8373 1 11 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.556 -5.776 25588 8374 1 11 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.652 -2.262 25588 8375 1 11 . 1 1 44 44 THR N N 44 112.900 112.900 113.085 -0.185 25588 8376 1 11 . 1 1 44 44 THR HA H 44 4.707 4.707 3.958 0.749 25588 8377 1 11 . 1 1 44 44 THR C C 44 172.600 172.600 176.832 -4.232 25588 8378 1 11 . 1 1 44 44 THR CA C 44 57.830 57.830 66.650 -8.820 25588 8379 1 11 . 1 1 44 44 THR CB C 44 68.490 68.490 68.338 0.152 25588 8380 1 11 . 1 1 44 44 THR H H 44 8.702 8.702 7.888 0.814 25588 8381 1 11 . 1 1 45 45 GLU N N 45 120.800 120.800 120.271 0.529 25588 8382 1 11 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.295 -0.320 25588 8383 1 11 . 1 1 45 45 GLU C C 45 176.300 176.300 178.451 -2.151 25588 8384 1 11 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.384 -0.924 25588 8385 1 11 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.531 -3.111 25588 8386 1 11 . 1 1 45 45 GLU H H 45 8.789 8.789 8.480 0.309 25588 8387 1 11 . 1 1 46 46 ALA N N 46 120.700 120.700 123.786 -3.086 25588 8388 1 11 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.051 0.038 25588 8389 1 11 . 1 1 46 46 ALA C C 46 177.700 177.700 179.740 -2.040 25588 8390 1 11 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.337 -2.927 25588 8391 1 11 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.920 -2.270 25588 8392 1 11 . 1 1 46 46 ALA H H 46 8.241 8.241 8.272 -0.031 25588 8393 1 11 . 1 1 47 47 GLU N N 47 118.900 118.900 118.083 0.817 25588 8394 1 11 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.145 -0.143 25588 8395 1 11 . 1 1 47 47 GLU C C 47 177.500 177.500 179.254 -1.754 25588 8396 1 11 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.827 -2.417 25588 8397 1 11 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.672 -2.612 25588 8398 1 11 . 1 1 47 47 GLU H H 47 7.682 7.682 7.882 -0.200 25588 8399 1 11 . 1 1 48 48 LEU N N 48 120.600 120.600 120.308 0.292 25588 8400 1 11 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.010 0.051 25588 8401 1 11 . 1 1 48 48 LEU C C 48 175.900 175.900 178.794 -2.894 25588 8402 1 11 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.072 -1.802 25588 8403 1 11 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.691 -1.951 25588 8404 1 11 . 1 1 48 48 LEU H H 48 8.169 8.169 7.479 0.690 25588 8405 1 11 . 1 1 49 49 GLN N N 49 118.200 118.200 119.539 -1.339 25588 8406 1 11 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.831 -0.004 25588 8407 1 11 . 1 1 49 49 GLN C C 49 175.900 175.900 177.558 -1.658 25588 8408 1 11 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.232 -3.262 25588 8409 1 11 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.758 -2.238 25588 8410 1 11 . 1 1 49 49 GLN H H 49 8.179 8.179 8.691 -0.512 25588 8411 1 11 . 1 1 50 50 ASP N N 50 119.900 119.900 118.938 0.962 25588 8412 1 11 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.422 -0.039 25588 8413 1 11 . 1 1 50 50 ASP C C 50 175.900 175.900 178.256 -2.356 25588 8414 1 11 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.665 -1.715 25588 8415 1 11 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.547 -2.757 25588 8416 1 11 . 1 1 50 50 ASP H H 50 8.037 8.037 7.746 0.291 25588 8417 1 11 . 1 1 51 51 MET N N 51 119.300 119.300 120.586 -1.286 25588 8418 1 11 . 1 1 51 51 MET HA H 51 4.028 4.028 4.120 -0.092 25588 8419 1 11 . 1 1 51 51 MET C C 51 176.200 176.200 178.348 -2.148 25588 8420 1 11 . 1 1 51 51 MET CA C 51 56.710 56.710 59.093 -2.383 25588 8421 1 11 . 1 1 51 51 MET CB C 51 30.570 30.570 32.758 -2.188 25588 8422 1 11 . 1 1 51 51 MET H H 51 7.855 7.855 7.257 0.598 25588 8423 1 11 . 1 1 52 52 ILE N N 52 118.200 118.200 119.665 -1.465 25588 8424 1 11 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.489 -0.000 25588 8425 1 11 . 1 1 52 52 ILE C C 52 175.100 175.100 177.967 -2.867 25588 8426 1 11 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.693 -3.473 25588 8427 1 11 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.595 1.735 25588 8428 1 11 . 1 1 52 52 ILE H H 52 7.701 7.701 8.853 -1.152 25588 8429 1 11 . 1 1 53 53 ASN N N 53 117.700 117.700 117.537 0.163 25588 8430 1 11 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.403 -0.042 25588 8431 1 11 . 1 1 53 53 ASN C C 53 174.800 174.800 177.703 -2.903 25588 8432 1 11 . 1 1 53 53 ASN CA C 53 53.290 53.290 55.950 -2.660 25588 8433 1 11 . 1 1 53 53 ASN CB C 53 35.440 35.440 37.798 -2.358 25588 8434 1 11 . 1 1 53 53 ASN H H 53 8.529 8.529 7.927 0.602 25588 8435 1 11 . 1 1 54 54 GLU N N 54 116.400 116.400 120.615 -4.215 25588 8436 1 11 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.058 -0.037 25588 8437 1 11 . 1 1 54 54 GLU C C 54 175.000 175.000 179.008 -4.008 25588 8438 1 11 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.416 -3.176 25588 8439 1 11 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.738 -1.908 25588 8440 1 11 . 1 1 54 54 GLU H H 54 7.573 7.573 7.980 -0.407 25588 8441 1 11 . 1 1 55 55 VAL N N 55 108.400 108.400 118.684 -10.284 25588 8442 1 11 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.866 0.580 25588 8443 1 11 . 1 1 55 55 VAL C C 55 173.100 173.100 177.602 -4.502 25588 8444 1 11 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.174 -7.084 25588 8445 1 11 . 1 1 55 55 VAL H H 55 7.204 7.204 7.737 -0.533 25588 8446 1 11 . 1 1 56 56 ASP N N 56 126.900 126.900 119.423 7.477 25588 8447 1 11 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.525 0.113 25588 8448 1 11 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.962 -3.912 25588 8449 1 11 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.931 -3.450 25588 8450 1 11 . 1 1 56 56 ASP H H 56 7.649 7.649 8.199 -0.550 25588 8451 1 11 . 1 1 57 57 ALA N N 57 131.900 131.900 121.144 10.756 25588 8452 1 11 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.187 -0.005 25588 8453 1 11 . 1 1 57 57 ALA C C 57 176.000 176.000 177.720 -1.720 25588 8454 1 11 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.232 -1.542 25588 8455 1 11 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.107 -1.207 25588 8456 1 11 . 1 1 57 57 ALA H H 57 8.458 8.458 7.914 0.544 25588 8457 1 11 . 1 1 58 58 ASP N N 58 113.800 113.800 118.551 -4.751 25588 8458 1 11 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.418 0.193 25588 8459 1 11 . 1 1 58 58 ASP C C 58 175.200 175.200 177.097 -1.897 25588 8460 1 11 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.470 -5.430 25588 8461 1 11 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.688 -3.488 25588 8462 1 11 . 1 1 58 58 ASP H H 58 8.125 8.125 7.657 0.468 25588 8463 1 11 . 1 1 59 59 GLY N N 59 108.400 108.400 105.968 2.432 25588 8464 1 11 . 1 1 59 59 GLY C C 59 172.500 172.500 173.381 -0.881 25588 8465 1 11 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.205 -0.545 25588 8466 1 11 . 1 1 59 59 GLY H H 59 7.550 7.550 7.792 -0.242 25588 8467 1 11 . 1 1 60 60 ASN N N 60 120.600 120.600 116.738 3.862 25588 8468 1 11 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.707 -0.220 25588 8469 1 11 . 1 1 60 60 ASN C C 60 174.800 174.800 174.772 0.028 25588 8470 1 11 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.704 -1.524 25588 8471 1 11 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.139 -1.299 25588 8472 1 11 . 1 1 60 60 ASN H H 60 8.356 8.356 8.180 0.176 25588 8473 1 11 . 1 1 61 61 GLY N N 61 113.300 113.300 106.378 6.922 25588 8474 1 11 . 1 1 61 61 GLY C C 61 171.100 171.100 173.805 -2.705 25588 8475 1 11 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.750 -2.920 25588 8476 1 11 . 1 1 61 61 GLY H H 61 10.610 10.610 8.725 1.885 25588 8477 1 11 . 1 1 62 62 THR N N 62 112.900 112.900 112.066 0.834 25588 8478 1 11 . 1 1 62 62 THR HA H 62 4.756 4.756 4.994 -0.238 25588 8479 1 11 . 1 1 62 62 THR C C 62 170.500 170.500 173.311 -2.811 25588 8480 1 11 . 1 1 62 62 THR CA C 62 57.050 57.050 59.751 -2.701 25588 8481 1 11 . 1 1 62 62 THR CB C 62 69.100 69.100 72.163 -3.063 25588 8482 1 11 . 1 1 62 62 THR H H 62 8.111 8.111 7.745 0.366 25588 8483 1 11 . 1 1 63 63 ILE N N 63 123.900 123.900 123.540 0.360 25588 8484 1 11 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.328 0.824 25588 8485 1 11 . 1 1 63 63 ILE C C 63 172.900 172.900 174.389 -1.489 25588 8486 1 11 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.315 -2.955 25588 8487 1 11 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.612 -4.752 25588 8488 1 11 . 1 1 63 63 ILE H H 63 8.905 8.905 8.974 -0.069 25588 8489 1 11 . 1 1 64 64 ASP N N 64 128.200 128.200 126.309 1.891 25588 8490 1 11 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.687 0.655 25588 8491 1 11 . 1 1 64 64 ASP C C 64 173.700 173.700 176.963 -3.263 25588 8492 1 11 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.759 -5.289 25588 8493 1 11 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.684 -2.034 25588 8494 1 11 . 1 1 64 64 ASP H H 64 8.778 8.778 8.643 0.135 25588 8495 1 11 . 1 1 65 65 PHE N N 65 118.700 118.700 120.490 -1.790 25588 8496 1 11 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.226 -2.206 25588 8497 1 11 . 1 1 65 65 PHE H H 65 8.903 8.903 8.997 -0.094 25588 8498 1 11 . 1 1 66 66 PRO C C 66 177.400 177.400 178.884 -1.484 25588 8499 1 11 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.161 -2.201 25588 8500 1 11 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.411 -3.351 25588 8501 1 11 . 1 1 67 67 GLU N N 67 117.600 117.600 116.876 0.724 25588 8502 1 11 . 1 1 67 67 GLU C C 67 176.100 176.100 178.611 -2.511 25588 8503 1 11 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.315 -2.245 25588 8504 1 11 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.318 -2.568 25588 8505 1 11 . 1 1 67 67 GLU H H 67 7.894 7.894 8.689 -0.795 25588 8506 1 11 . 1 1 68 68 PHE N N 68 123.500 123.500 123.017 0.483 25588 8507 1 11 . 1 1 68 68 PHE C C 68 174.400 174.400 176.591 -2.191 25588 8508 1 11 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.706 -3.095 25588 8509 1 11 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.928 -1.408 25588 8510 1 11 . 1 1 68 68 PHE H H 68 8.826 8.826 8.043 0.783 25588 8511 1 11 . 1 1 69 69 LEU N N 69 119.000 119.000 118.113 0.887 25588 8512 1 11 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.786 -0.452 25588 8513 1 11 . 1 1 69 69 LEU C C 69 176.600 176.600 179.084 -2.484 25588 8514 1 11 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.207 -2.857 25588 8515 1 11 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.540 -3.360 25588 8516 1 11 . 1 1 69 69 LEU H H 69 8.321 8.321 8.185 0.136 25588 8517 1 11 . 1 1 70 70 THR N N 70 115.500 115.500 115.344 0.156 25588 8518 1 11 . 1 1 70 70 THR HA H 70 4.317 4.317 3.911 0.406 25588 8519 1 11 . 1 1 70 70 THR C C 70 173.400 173.400 176.263 -2.863 25588 8520 1 11 . 1 1 70 70 THR CA C 70 63.720 63.720 66.767 -3.047 25588 8521 1 11 . 1 1 70 70 THR CB C 70 65.630 65.630 68.521 -2.891 25588 8522 1 11 . 1 1 70 70 THR H H 70 7.476 7.476 7.593 -0.117 25588 8523 1 11 . 1 1 71 71 MET N N 71 121.700 121.700 121.518 0.182 25588 8524 1 11 . 1 1 71 71 MET HA H 71 3.758 3.758 3.990 -0.232 25588 8525 1 11 . 1 1 71 71 MET C C 71 175.600 175.600 177.765 -2.165 25588 8526 1 11 . 1 1 71 71 MET CA C 71 56.370 56.370 59.343 -2.973 25588 8527 1 11 . 1 1 71 71 MET CB C 71 30.590 30.590 32.593 -2.003 25588 8528 1 11 . 1 1 71 71 MET H H 71 7.774 7.774 8.355 -0.581 25588 8529 1 11 . 1 1 72 72 MET N N 72 116.900 116.900 117.105 -0.205 25588 8530 1 11 . 1 1 72 72 MET HA H 72 3.993 3.993 3.998 -0.005 25588 8531 1 11 . 1 1 72 72 MET C C 72 175.900 175.900 178.433 -2.533 25588 8532 1 11 . 1 1 72 72 MET CA C 72 53.200 53.200 57.139 -3.939 25588 8533 1 11 . 1 1 72 72 MET CB C 72 28.520 28.520 30.775 -2.255 25588 8534 1 11 . 1 1 72 72 MET H H 72 8.082 8.082 8.128 -0.046 25588 8535 1 11 . 1 1 73 73 ALA N N 73 122.300 122.300 123.270 -0.970 25588 8536 1 11 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.949 0.125 25588 8537 1 11 . 1 1 73 73 ALA C C 73 177.200 177.200 179.309 -2.109 25588 8538 1 11 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.092 -3.122 25588 8539 1 11 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.385 -2.645 25588 8540 1 11 . 1 1 73 73 ALA H H 73 8.149 8.149 8.227 -0.078 25588 8541 1 11 . 1 1 74 74 ARG N N 74 116.600 116.600 117.084 -0.484 25588 8542 1 11 . 1 1 74 74 ARG C C 74 175.200 175.200 178.661 -3.461 25588 8543 1 11 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.782 -3.222 25588 8544 1 11 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.243 -2.593 25588 8545 1 11 . 1 1 74 74 ARG H H 74 7.564 7.564 7.822 -0.258 25588 8546 1 11 . 1 1 75 75 LYS N N 75 118.800 118.800 117.259 1.541 25588 8547 1 11 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.148 0.047 25588 8548 1 11 . 1 1 75 75 LYS C C 75 175.100 175.100 177.561 -2.461 25588 8549 1 11 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.660 -2.930 25588 8550 1 11 . 1 1 75 75 LYS H H 75 7.668 7.668 8.063 -0.395 25588 8551 1 11 . 1 1 76 76 MET N N 76 118.300 118.300 118.249 0.051 25588 8552 1 11 . 1 1 76 76 MET HA H 76 4.331 4.331 4.577 -0.246 25588 8553 1 11 . 1 1 76 76 MET C C 76 173.900 173.900 174.750 -0.850 25588 8554 1 11 . 1 1 76 76 MET CA C 76 54.010 54.010 52.817 1.193 25588 8555 1 11 . 1 1 76 76 MET H H 76 7.861 7.861 8.220 -0.359 25588 8556 1 11 . 1 1 77 77 LYS N N 77 120.200 120.200 124.053 -3.853 25588 8557 1 11 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.316 -0.018 25588 8558 1 11 . 1 1 77 77 LYS C C 77 173.800 173.800 176.938 -3.138 25588 8559 1 11 . 1 1 77 77 LYS CA C 77 54.070 54.070 56.121 -2.051 25588 8560 1 11 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.634 -3.264 25588 8561 1 11 . 1 1 77 77 LYS H H 77 7.797 7.797 8.430 -0.633 25588 8562 1 11 . 1 1 78 78 ASP N N 78 121.400 121.400 124.347 -2.947 25588 8563 1 11 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.391 0.282 25588 8564 1 11 . 1 1 78 78 ASP C C 78 173.900 173.900 177.578 -3.678 25588 8565 1 11 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.170 -3.270 25588 8566 1 11 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.464 -2.954 25588 8567 1 11 . 1 1 78 78 ASP H H 78 8.191 8.191 8.614 -0.423 25588 8568 1 11 . 1 1 79 79 THR N N 79 114.600 114.600 109.727 4.873 25588 8569 1 11 . 1 1 79 79 THR HA H 79 4.263 4.263 4.088 0.175 25588 8570 1 11 . 1 1 79 79 THR C C 79 171.900 171.900 175.445 -3.545 25588 8571 1 11 . 1 1 79 79 THR CA C 79 59.510 59.510 65.030 -5.520 25588 8572 1 11 . 1 1 79 79 THR CB C 79 67.090 67.090 68.704 -1.614 25588 8573 1 11 . 1 1 79 79 THR H H 79 8.063 8.063 8.379 -0.316 25588 8574 1 11 . 1 1 80 80 ASP N N 80 123.100 123.100 122.389 0.711 25588 8575 1 11 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.551 0.162 25588 8576 1 11 . 1 1 80 80 ASP C C 80 173.900 173.900 178.193 -4.293 25588 8577 1 11 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.508 -4.608 25588 8578 1 11 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.527 -0.857 25588 8579 1 11 . 1 1 80 80 ASP H H 80 8.423 8.423 8.653 -0.230 25588 8580 1 11 . 1 1 81 81 SER N N 81 116.900 116.900 115.829 1.071 25588 8581 1 11 . 1 1 81 81 SER HA H 81 4.498 4.498 4.183 0.315 25588 8582 1 11 . 1 1 81 81 SER C C 81 172.700 172.700 175.770 -3.070 25588 8583 1 11 . 1 1 81 81 SER CA C 81 56.360 56.360 60.868 -4.508 25588 8584 1 11 . 1 1 81 81 SER CB C 81 61.310 61.310 62.727 -1.417 25588 8585 1 11 . 1 1 81 81 SER H H 81 8.357 8.357 7.706 0.651 25588 8586 1 11 . 1 1 82 82 GLU N N 82 122.800 122.800 122.753 0.047 25588 8587 1 11 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.811 0.317 25588 8588 1 11 . 1 1 82 82 GLU C C 82 175.300 175.300 178.603 -3.303 25588 8589 1 11 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.709 -3.439 25588 8590 1 11 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.471 -2.721 25588 8591 1 11 . 1 1 82 82 GLU H H 82 8.532 8.532 7.813 0.719 25588 8592 1 11 . 1 1 83 83 GLU N N 83 119.400 119.400 117.231 2.169 25588 8593 1 11 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.137 -0.103 25588 8594 1 11 . 1 1 83 83 GLU C C 83 176.000 176.000 178.999 -2.999 25588 8595 1 11 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.889 -1.819 25588 8596 1 11 . 1 1 83 83 GLU H H 83 8.365 8.365 7.698 0.667 25588 8597 1 11 . 1 1 84 84 GLU N N 84 118.700 118.700 119.516 -0.816 25588 8598 1 11 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.124 0.023 25588 8599 1 11 . 1 1 84 84 GLU C C 84 177.000 177.000 179.357 -2.357 25588 8600 1 11 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.644 -1.974 25588 8601 1 11 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.594 -2.794 25588 8602 1 11 . 1 1 84 84 GLU H H 84 8.073 8.073 7.482 0.591 25588 8603 1 11 . 1 1 85 85 ILE N N 85 122.200 122.200 119.532 2.668 25588 8604 1 11 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.630 0.364 25588 8605 1 11 . 1 1 85 85 ILE C C 85 175.300 175.300 177.637 -2.337 25588 8606 1 11 . 1 1 85 85 ILE CA C 85 62.130 62.130 63.910 -1.780 25588 8607 1 11 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.323 -2.823 25588 8608 1 11 . 1 1 85 85 ILE H H 85 8.043 8.043 8.763 -0.720 25588 8609 1 11 . 1 1 86 86 ARG N N 86 121.700 121.700 120.076 1.624 25588 8610 1 11 . 1 1 86 86 ARG C C 86 176.700 176.700 178.961 -2.261 25588 8611 1 11 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.878 -2.518 25588 8612 1 11 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.747 -2.697 25588 8613 1 11 . 1 1 86 86 ARG H H 86 8.415 8.415 7.774 0.641 25588 8614 1 11 . 1 1 87 87 GLU N N 87 118.600 118.600 119.628 -1.028 25588 8615 1 11 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.159 -0.050 25588 8616 1 11 . 1 1 87 87 GLU C C 87 175.900 175.900 177.788 -1.888 25588 8617 1 11 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.865 -2.435 25588 8618 1 11 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.321 -2.771 25588 8619 1 11 . 1 1 87 87 GLU H H 87 8.056 8.056 7.834 0.222 25588 8620 1 11 . 1 1 88 88 ALA N N 88 122.000 122.000 120.892 1.108 25588 8621 1 11 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.220 -0.002 25588 8622 1 11 . 1 1 88 88 ALA C C 88 176.600 176.600 179.133 -2.533 25588 8623 1 11 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.051 -1.601 25588 8624 1 11 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.053 -2.753 25588 8625 1 11 . 1 1 88 88 ALA H H 88 7.934 7.934 7.477 0.457 25588 8626 1 11 . 1 1 89 89 PHE N N 89 118.900 118.900 120.683 -1.783 25588 8627 1 11 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.202 -1.051 25588 8628 1 11 . 1 1 89 89 PHE C C 89 173.800 173.800 177.288 -3.488 25588 8629 1 11 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.692 -2.192 25588 8630 1 11 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.076 -2.706 25588 8631 1 11 . 1 1 89 89 PHE H H 89 8.537 8.537 7.863 0.674 25588 8632 1 11 . 1 1 90 90 ARG N N 90 115.600 115.600 118.833 -3.233 25588 8633 1 11 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.726 0.138 25588 8634 1 11 . 1 1 90 90 ARG C C 90 175.500 175.500 177.955 -2.455 25588 8635 1 11 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.265 -3.155 25588 8636 1 11 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.109 -2.459 25588 8637 1 11 . 1 1 90 90 ARG H H 90 7.656 7.656 7.837 -0.181 25588 8638 1 11 . 1 1 91 91 VAL N N 91 118.300 118.300 118.064 0.236 25588 8639 1 11 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.771 -0.284 25588 8640 1 11 . 1 1 91 91 VAL C C 91 174.700 174.700 178.383 -3.683 25588 8641 1 11 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.931 -2.921 25588 8642 1 11 . 1 1 91 91 VAL H H 91 7.496 7.496 7.419 0.077 25588 8643 1 11 . 1 1 92 92 PHE N N 92 116.300 116.300 119.399 -3.099 25588 8644 1 11 . 1 1 92 92 PHE C C 92 174.300 174.300 176.037 -1.737 25588 8645 1 11 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.851 -3.441 25588 8646 1 11 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.613 -1.993 25588 8647 1 11 . 1 1 92 92 PHE H H 92 7.460 7.460 8.630 -1.170 25588 8648 1 11 . 1 1 93 93 ASP N N 93 116.900 116.900 117.976 -1.076 25588 8649 1 11 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.722 -0.218 25588 8650 1 11 . 1 1 93 93 ASP C C 93 174.900 174.900 175.669 -0.769 25588 8651 1 11 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.543 -3.003 25588 8652 1 11 . 1 1 93 93 ASP H H 93 7.821 7.821 8.120 -0.299 25588 8653 1 11 . 1 1 94 94 LYS N N 94 125.900 125.900 123.801 2.099 25588 8654 1 11 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.108 -0.220 25588 8655 1 11 . 1 1 94 94 LYS C C 94 175.700 175.700 177.518 -1.818 25588 8656 1 11 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.449 -2.039 25588 8657 1 11 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.647 -2.477 25588 8658 1 11 . 1 1 94 94 LYS H H 94 7.689 7.689 8.237 -0.548 25588 8659 1 11 . 1 1 95 95 ASP N N 95 114.000 114.000 116.999 -2.999 25588 8660 1 11 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.378 0.176 25588 8661 1 11 . 1 1 95 95 ASP C C 95 175.100 175.100 177.912 -2.812 25588 8662 1 11 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.553 -5.233 25588 8663 1 11 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.128 -3.138 25588 8664 1 11 . 1 1 95 95 ASP H H 95 8.179 8.179 8.205 -0.026 25588 8665 1 11 . 1 1 96 96 GLY N N 96 109.300 109.300 109.863 -0.563 25588 8666 1 11 . 1 1 96 96 GLY C C 96 172.500 172.500 175.638 -3.138 25588 8667 1 11 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.644 -2.144 25588 8668 1 11 . 1 1 96 96 GLY H H 96 7.765 7.765 8.407 -0.642 25588 8669 1 11 . 1 1 97 97 ASN N N 97 119.600 119.600 122.972 -3.372 25588 8670 1 11 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.604 0.040 25588 8671 1 11 . 1 1 97 97 ASN C C 97 173.400 173.400 174.934 -1.534 25588 8672 1 11 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.036 -3.966 25588 8673 1 11 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.929 -3.409 25588 8674 1 11 . 1 1 97 97 ASN H H 97 8.302 8.302 8.548 -0.246 25588 8675 1 11 . 1 1 98 98 GLY N N 98 113.000 113.000 105.483 7.517 25588 8676 1 11 . 1 1 98 98 GLY C C 98 169.800 169.800 171.956 -2.156 25588 8677 1 11 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.538 -1.028 25588 8678 1 11 . 1 1 98 98 GLY H H 98 10.620 10.620 7.390 3.230 25588 8679 1 11 . 1 1 99 99 TYR N N 99 115.900 115.900 117.137 -1.237 25588 8680 1 11 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.838 0.198 25588 8681 1 11 . 1 1 99 99 TYR C C 99 171.900 171.900 175.695 -3.795 25588 8682 1 11 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.171 -2.781 25588 8683 1 11 . 1 1 99 99 TYR CB C 99 40.530 40.530 40.777 -0.247 25588 8684 1 11 . 1 1 99 99 TYR H H 99 7.597 7.597 7.731 -0.134 25588 8685 1 11 . 1 1 100 100 ILE N N 100 127.400 127.400 122.888 4.512 25588 8686 1 11 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.231 0.548 25588 8687 1 11 . 1 1 100 100 ILE C C 100 172.900 172.900 176.499 -3.599 25588 8688 1 11 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.648 -3.988 25588 8689 1 11 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.526 -2.576 25588 8690 1 11 . 1 1 100 100 ILE H H 100 10.120 10.120 8.389 1.731 25588 8691 1 11 . 1 1 101 101 SER N N 101 123.800 123.800 123.017 0.783 25588 8692 1 11 . 1 1 101 101 SER C C 101 172.600 172.600 175.763 -3.163 25588 8693 1 11 . 1 1 101 101 SER CA C 101 53.180 53.180 56.817 -3.637 25588 8694 1 11 . 1 1 101 101 SER CB C 101 63.970 63.970 65.589 -1.619 25588 8695 1 11 . 1 1 101 101 SER H H 101 8.944 8.944 8.201 0.743 25588 8696 1 11 . 1 1 102 102 ALA N N 102 122.900 122.900 124.045 -1.145 25588 8697 1 11 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.056 -0.142 25588 8698 1 11 . 1 1 102 102 ALA C C 102 176.700 176.700 179.060 -2.360 25588 8699 1 11 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.275 -1.975 25588 8700 1 11 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.243 -2.793 25588 8701 1 11 . 1 1 102 102 ALA H H 102 9.178 9.178 9.067 0.111 25588 8702 1 11 . 1 1 103 103 ALA N N 103 118.400 118.400 121.816 -3.416 25588 8703 1 11 . 1 1 103 103 ALA C C 103 178.700 178.700 179.861 -1.161 25588 8704 1 11 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.883 -2.333 25588 8705 1 11 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.314 -2.434 25588 8706 1 11 . 1 1 103 103 ALA H H 103 8.205 8.205 7.854 0.351 25588 8707 1 11 . 1 1 104 104 GLU N N 104 119.700 119.700 118.566 1.134 25588 8708 1 11 . 1 1 104 104 GLU C C 104 176.600 176.600 178.995 -2.395 25588 8709 1 11 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.909 -2.269 25588 8710 1 11 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.636 -2.996 25588 8711 1 11 . 1 1 104 104 GLU H H 104 7.835 7.835 7.722 0.113 25588 8712 1 11 . 1 1 105 105 LEU N N 105 121.000 121.000 121.263 -0.263 25588 8713 1 11 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.052 0.047 25588 8714 1 11 . 1 1 105 105 LEU C C 105 175.800 175.800 178.111 -2.311 25588 8715 1 11 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.906 -2.246 25588 8716 1 11 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.947 -7.387 25588 8717 1 11 . 1 1 105 105 LEU H H 105 8.571 8.571 8.212 0.359 25588 8718 1 11 . 1 1 106 106 ARG N N 106 117.500 117.500 118.812 -1.312 25588 8719 1 11 . 1 1 106 106 ARG C C 106 176.000 176.000 178.092 -2.092 25588 8720 1 11 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.095 -2.865 25588 8721 1 11 . 1 1 106 106 ARG H H 106 8.522 8.522 7.891 0.631 25588 8722 1 11 . 1 1 107 107 HIS N N 107 119.000 119.000 118.059 0.941 25588 8723 1 11 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.320 -0.034 25588 8724 1 11 . 1 1 107 107 HIS C C 107 174.900 174.900 177.599 -2.699 25588 8725 1 11 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.705 -2.615 25588 8726 1 11 . 1 1 107 107 HIS H H 107 7.889 7.889 7.743 0.146 25588 8727 1 11 . 1 1 108 108 VAL N N 108 118.900 118.900 119.679 -0.779 25588 8728 1 11 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.647 -0.162 25588 8729 1 11 . 1 1 108 108 VAL C C 108 175.400 175.400 178.153 -2.753 25588 8730 1 11 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.422 -2.902 25588 8731 1 11 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.455 -2.255 25588 8732 1 11 . 1 1 108 108 VAL H H 108 7.958 7.958 7.503 0.455 25588 8733 1 11 . 1 1 109 109 MET N N 109 116.400 116.400 118.157 -1.757 25588 8734 1 11 . 1 1 109 109 MET HA H 109 4.331 4.331 4.213 0.118 25588 8735 1 11 . 1 1 109 109 MET C C 109 176.000 176.000 178.786 -2.786 25588 8736 1 11 . 1 1 109 109 MET CA C 109 54.910 54.910 57.762 -2.852 25588 8737 1 11 . 1 1 109 109 MET CB C 109 28.750 28.750 31.212 -2.462 25588 8738 1 11 . 1 1 109 109 MET H H 109 8.247 8.247 8.475 -0.228 25588 8739 1 11 . 1 1 110 110 THR N N 110 114.900 114.900 115.593 -0.693 25588 8740 1 11 . 1 1 110 110 THR HA H 110 4.152 4.152 4.240 -0.088 25588 8741 1 11 . 1 1 110 110 THR C C 110 175.000 175.000 175.962 -0.962 25588 8742 1 11 . 1 1 110 110 THR CA C 110 63.270 63.270 65.858 -2.588 25588 8743 1 11 . 1 1 110 110 THR CB C 110 66.230 66.230 68.387 -2.157 25588 8744 1 11 . 1 1 110 110 THR H H 110 8.125 8.125 8.191 -0.066 25588 8745 1 11 . 1 1 111 111 ASN N N 111 122.200 122.200 117.915 4.285 25588 8746 1 11 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.457 -0.020 25588 8747 1 11 . 1 1 111 111 ASN C C 111 173.700 173.700 177.589 -3.889 25588 8748 1 11 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.242 -2.172 25588 8749 1 11 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.461 -2.641 25588 8750 1 11 . 1 1 111 111 ASN H H 111 7.867 7.867 7.493 0.374 25588 8751 1 11 . 1 1 112 112 LEU N N 112 119.100 119.100 119.102 -0.002 25588 8752 1 11 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.102 0.231 25588 8753 1 11 . 1 1 112 112 LEU C C 112 174.700 174.700 176.907 -2.207 25588 8754 1 11 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.563 -3.803 25588 8755 1 11 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.700 -3.250 25588 8756 1 11 . 1 1 112 112 LEU H H 112 7.850 7.850 7.301 0.549 25588 8757 1 11 . 1 1 113 113 GLY N N 113 106.800 106.800 103.987 2.813 25588 8758 1 11 . 1 1 113 113 GLY C C 113 171.700 171.700 172.171 -0.471 25588 8759 1 11 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.062 -2.272 25588 8760 1 11 . 1 1 113 113 GLY H H 113 7.830 7.830 7.471 0.359 25588 8761 1 11 . 1 1 114 114 GLU N N 114 120.600 120.600 119.214 1.386 25588 8762 1 11 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.650 -0.250 25588 8763 1 11 . 1 1 114 114 GLU C C 114 172.800 172.800 177.180 -4.380 25588 8764 1 11 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.070 -3.400 25588 8765 1 11 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.519 -2.559 25588 8766 1 11 . 1 1 114 114 GLU H H 114 7.914 7.914 8.683 -0.769 25588 8767 1 11 . 1 1 115 115 LYS N N 115 124.000 124.000 120.099 3.901 25588 8768 1 11 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.144 0.213 25588 8769 1 11 . 1 1 115 115 LYS C C 115 173.000 173.000 176.625 -3.625 25588 8770 1 11 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.329 -5.309 25588 8771 1 11 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.737 -3.327 25588 8772 1 11 . 1 1 115 115 LYS H H 115 8.505 8.505 8.415 0.090 25588 8773 1 11 . 1 1 116 116 LEU N N 116 125.000 125.000 117.199 7.801 25588 8774 1 11 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.658 0.101 25588 8775 1 11 . 1 1 116 116 LEU C C 116 175.300 175.300 176.806 -1.506 25588 8776 1 11 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.210 -1.790 25588 8777 1 11 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.691 -1.581 25588 8778 1 11 . 1 1 116 116 LEU H H 116 8.076 8.076 7.701 0.375 25588 8779 1 11 . 1 1 117 117 THR N N 117 114.500 114.500 109.926 4.574 25588 8780 1 11 . 1 1 117 117 THR HA H 117 4.453 4.453 4.272 0.181 25588 8781 1 11 . 1 1 117 117 THR C C 117 172.800 172.800 174.269 -1.469 25588 8782 1 11 . 1 1 117 117 THR CA C 117 57.970 57.970 61.666 -3.696 25588 8783 1 11 . 1 1 117 117 THR CB C 117 68.610 68.610 69.955 -1.345 25588 8784 1 11 . 1 1 117 117 THR H H 117 9.116 9.116 8.216 0.900 25588 8785 1 11 . 1 1 118 118 ASP N N 118 121.000 121.000 119.485 1.515 25588 8786 1 11 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.622 -0.426 25588 8787 1 11 . 1 1 118 118 ASP C C 118 175.900 175.900 177.679 -1.779 25588 8788 1 11 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.607 -1.247 25588 8789 1 11 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.959 -3.849 25588 8790 1 11 . 1 1 118 118 ASP H H 118 8.847 8.847 8.664 0.183 25588 8791 1 11 . 1 1 119 119 GLU N N 119 119.100 119.100 119.676 -0.576 25588 8792 1 11 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.418 -0.348 25588 8793 1 11 . 1 1 119 119 GLU C C 119 176.500 176.500 177.538 -1.038 25588 8794 1 11 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.718 -1.438 25588 8795 1 11 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.593 -3.163 25588 8796 1 11 . 1 1 119 119 GLU H H 119 8.626 8.626 8.477 0.149 25588 8797 1 11 . 1 1 120 120 GLU N N 120 120.500 120.500 118.538 1.962 25588 8798 1 11 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.063 -0.073 25588 8799 1 11 . 1 1 120 120 GLU C C 120 177.400 177.400 178.687 -1.287 25588 8800 1 11 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.401 -2.811 25588 8801 1 11 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.111 -0.321 25588 8802 1 11 . 1 1 120 120 GLU H H 120 7.724 7.724 8.892 -1.168 25588 8803 1 11 . 1 1 121 121 VAL N N 121 121.100 121.100 115.276 5.824 25588 8804 1 11 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.837 -0.250 25588 8805 1 11 . 1 1 121 121 VAL C C 121 174.600 174.600 177.605 -3.005 25588 8806 1 11 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.384 -1.074 25588 8807 1 11 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.058 -2.678 25588 8808 1 11 . 1 1 121 121 VAL H H 121 8.062 8.062 7.859 0.203 25588 8809 1 11 . 1 1 122 122 ASP N N 122 119.600 119.600 121.378 -1.778 25588 8810 1 11 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.348 -0.039 25588 8811 1 11 . 1 1 122 122 ASP C C 122 176.500 176.500 178.074 -1.574 25588 8812 1 11 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.267 -2.267 25588 8813 1 11 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.295 -2.395 25588 8814 1 11 . 1 1 122 122 ASP H H 122 8.007 8.007 7.924 0.083 25588 8815 1 11 . 1 1 123 123 GLU N N 123 119.300 119.300 117.403 1.897 25588 8816 1 11 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.290 -0.292 25588 8817 1 11 . 1 1 123 123 GLU C C 123 175.400 175.400 178.256 -2.856 25588 8818 1 11 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.834 -1.174 25588 8819 1 11 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.384 -3.594 25588 8820 1 11 . 1 1 123 123 GLU H H 123 7.967 7.967 8.246 -0.279 25588 8821 1 11 . 1 1 124 124 MET N N 124 119.600 119.600 120.701 -1.101 25588 8822 1 11 . 1 1 124 124 MET HA H 124 4.033 4.033 4.191 -0.158 25588 8823 1 11 . 1 1 124 124 MET C C 124 176.500 176.500 178.357 -1.857 25588 8824 1 11 . 1 1 124 124 MET CA C 124 56.970 56.970 58.236 -1.266 25588 8825 1 11 . 1 1 124 124 MET CB C 124 30.470 30.470 32.501 -2.031 25588 8826 1 11 . 1 1 124 124 MET H H 124 7.789 7.789 8.388 -0.599 25588 8827 1 11 . 1 1 125 125 ILE N N 125 118.500 118.500 116.731 1.769 25588 8828 1 11 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.758 -0.259 25588 8829 1 11 . 1 1 125 125 ILE C C 125 174.600 174.600 177.459 -2.859 25588 8830 1 11 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.676 -2.486 25588 8831 1 11 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.438 -3.928 25588 8832 1 11 . 1 1 125 125 ILE H H 125 7.940 7.940 7.974 -0.034 25588 8833 1 11 . 1 1 126 126 ARG N N 126 118.300 118.300 119.733 -1.433 25588 8834 1 11 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.059 -0.051 25588 8835 1 11 . 1 1 126 126 ARG C C 126 176.800 176.800 178.329 -1.529 25588 8836 1 11 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.414 -2.314 25588 8837 1 11 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.389 -2.819 25588 8838 1 11 . 1 1 126 126 ARG H H 126 8.168 8.168 7.337 0.831 25588 8839 1 11 . 1 1 127 127 GLU N N 127 116.300 116.300 119.396 -3.096 25588 8840 1 11 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.208 -0.225 25588 8841 1 11 . 1 1 127 127 GLU C C 127 174.700 174.700 177.478 -2.778 25588 8842 1 11 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.199 -2.319 25588 8843 1 11 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.575 -2.635 25588 8844 1 11 . 1 1 127 127 GLU H H 127 7.918 7.918 7.817 0.101 25588 8845 1 11 . 1 1 128 128 ALA N N 128 119.100 119.100 120.287 -1.187 25588 8846 1 11 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.171 0.247 25588 8847 1 11 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.754 -4.244 25588 8848 1 11 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.852 -0.112 25588 8849 1 11 . 1 1 128 128 ALA H H 128 7.354 7.354 7.603 -0.249 25588 8850 1 11 . 1 1 129 129 ASP N N 129 117.400 117.400 117.462 -0.062 25588 8851 1 11 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.642 -0.140 25588 8852 1 11 . 1 1 129 129 ASP C C 129 173.400 173.400 177.132 -3.732 25588 8853 1 11 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.030 -1.620 25588 8854 1 11 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.035 -4.335 25588 8855 1 11 . 1 1 129 129 ASP H H 129 7.871 7.871 7.665 0.206 25588 8856 1 11 . 1 1 130 130 ILE N N 130 128.000 128.000 121.650 6.350 25588 8857 1 11 . 1 1 130 130 ILE HA H 130 3.917 3.917 3.920 -0.003 25588 8858 1 11 . 1 1 130 130 ILE C C 130 175.300 175.300 176.715 -1.415 25588 8859 1 11 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.914 -2.204 25588 8860 1 11 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.499 -1.689 25588 8861 1 11 . 1 1 130 130 ILE H H 130 8.384 8.384 8.481 -0.097 25588 8862 1 11 . 1 1 131 131 ASP N N 131 116.800 116.800 119.968 -3.168 25588 8863 1 11 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.475 0.075 25588 8864 1 11 . 1 1 131 131 ASP C C 131 175.600 175.600 177.555 -1.955 25588 8865 1 11 . 1 1 131 131 ASP CA C 131 51.220 51.220 55.838 -4.618 25588 8866 1 11 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.294 -4.064 25588 8867 1 11 . 1 1 131 131 ASP H H 131 8.281 8.281 7.938 0.343 25588 8868 1 11 . 1 1 132 132 GLY N N 132 108.500 108.500 107.442 1.058 25588 8869 1 11 . 1 1 132 132 GLY C C 132 172.600 172.600 175.154 -2.554 25588 8870 1 11 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.063 -1.213 25588 8871 1 11 . 1 1 132 132 GLY H H 132 7.575 7.575 8.262 -0.687 25588 8872 1 11 . 1 1 133 133 ASP N N 133 120.800 120.800 119.477 1.323 25588 8873 1 11 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.583 -0.119 25588 8874 1 11 . 1 1 133 133 ASP C C 133 174.900 174.900 177.125 -2.225 25588 8875 1 11 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.020 -2.030 25588 8876 1 11 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.925 -3.335 25588 8877 1 11 . 1 1 133 133 ASP H H 133 8.326 8.326 7.738 0.588 25588 8878 1 11 . 1 1 134 134 GLY N N 134 112.900 112.900 109.444 3.456 25588 8879 1 11 . 1 1 134 134 GLY C C 134 170.200 170.200 172.509 -2.309 25588 8880 1 11 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.549 -2.499 25588 8881 1 11 . 1 1 134 134 GLY H H 134 10.310 10.310 7.818 2.492 25588 8882 1 11 . 1 1 135 135 GLN N N 135 115.400 115.400 120.745 -5.345 25588 8883 1 11 . 1 1 135 135 GLN HA H 135 4.860 4.860 5.212 -0.352 25588 8884 1 11 . 1 1 135 135 GLN C C 135 172.100 172.100 173.638 -1.538 25588 8885 1 11 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.178 -3.648 25588 8886 1 11 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.888 -2.868 25588 8887 1 11 . 1 1 135 135 GLN H H 135 7.937 7.937 8.052 -0.115 25588 8888 1 11 . 1 1 136 136 VAL N N 136 125.500 125.500 122.537 2.963 25588 8889 1 11 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.659 0.531 25588 8890 1 11 . 1 1 136 136 VAL C C 136 173.200 173.200 174.479 -1.279 25588 8891 1 11 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.600 -1.500 25588 8892 1 11 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.798 -3.878 25588 8893 1 11 . 1 1 136 136 VAL H H 136 9.112 9.112 8.676 0.436 25588 8894 1 11 . 1 1 137 137 ASN N N 137 129.000 129.000 122.630 6.370 25588 8895 1 11 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.277 -0.045 25588 8896 1 11 . 1 1 137 137 ASN C C 137 172.200 172.200 174.851 -2.651 25588 8897 1 11 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.858 -3.398 25588 8898 1 11 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.816 -6.126 25588 8899 1 11 . 1 1 137 137 ASN H H 137 9.509 9.509 8.236 1.273 25588 8900 1 11 . 1 1 138 138 TYR N N 138 118.400 118.400 123.031 -4.631 25588 8901 1 11 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.311 -0.887 25588 8902 1 11 . 1 1 138 138 TYR C C 138 173.500 173.500 177.147 -3.647 25588 8903 1 11 . 1 1 138 138 TYR CA C 138 60.030 60.030 63.013 -2.983 25588 8904 1 11 . 1 1 138 138 TYR H H 138 8.420 8.420 9.313 -0.893 25588 8905 1 11 . 1 1 139 139 GLU N N 139 118.400 118.400 118.331 0.069 25588 8906 1 11 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.902 -0.261 25588 8907 1 11 . 1 1 139 139 GLU C C 139 177.900 177.900 179.053 -1.153 25588 8908 1 11 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.082 -2.342 25588 8909 1 11 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.773 -2.383 25588 8910 1 11 . 1 1 139 139 GLU H H 139 8.066 8.066 8.957 -0.891 25588 8911 1 11 . 1 1 140 140 GLU N N 140 119.900 119.900 119.404 0.496 25588 8912 1 11 . 1 1 140 140 GLU C C 140 176.700 176.700 178.739 -2.039 25588 8913 1 11 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.650 -2.750 25588 8914 1 11 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.261 -2.061 25588 8915 1 11 . 1 1 140 140 GLU H H 140 8.728 8.728 8.407 0.321 25588 8916 1 11 . 1 1 141 141 PHE N N 141 124.600 124.600 120.759 3.841 25588 8917 1 11 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.093 -0.109 25588 8918 1 11 . 1 1 141 141 PHE C C 141 174.200 174.200 177.481 -3.281 25588 8919 1 11 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.211 -3.251 25588 8920 1 11 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.700 -1.430 25588 8921 1 11 . 1 1 141 141 PHE H H 141 8.920 8.920 8.432 0.488 25588 8922 1 11 . 1 1 142 142 VAL N N 142 119.300 119.300 117.863 1.437 25588 8923 1 11 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.488 -0.367 25588 8924 1 11 . 1 1 142 142 VAL C C 142 176.900 176.900 177.441 -0.541 25588 8925 1 11 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.529 -2.099 25588 8926 1 11 . 1 1 142 142 VAL H H 142 8.536 8.536 7.259 1.277 25588 8927 1 11 . 1 1 143 143 GLN N N 143 118.200 118.200 117.540 0.660 25588 8928 1 11 . 1 1 143 143 GLN HA H 143 3.851 3.851 3.991 -0.140 25588 8929 1 11 . 1 1 143 143 GLN C C 143 175.300 175.300 178.882 -3.582 25588 8930 1 11 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.953 -1.693 25588 8931 1 11 . 1 1 143 143 GLN H H 143 7.404 7.404 7.425 -0.021 25588 8932 1 11 . 1 1 144 144 MET N N 144 119.400 119.400 118.993 0.407 25588 8933 1 11 . 1 1 144 144 MET HA H 144 4.107 4.107 4.163 -0.056 25588 8934 1 11 . 1 1 144 144 MET C C 144 175.400 175.400 176.536 -1.136 25588 8935 1 11 . 1 1 144 144 MET CA C 144 55.500 55.500 58.177 -2.677 25588 8936 1 11 . 1 1 144 144 MET CB C 144 30.460 30.460 33.284 -2.824 25588 8937 1 11 . 1 1 144 144 MET H H 144 7.878 7.878 7.878 0.000 25588 8938 1 11 . 1 1 145 145 MET N N 145 115.000 115.000 117.009 -2.009 25588 8939 1 11 . 1 1 145 145 MET HA H 145 4.281 4.281 4.645 -0.364 25588 8940 1 11 . 1 1 145 145 MET C C 145 174.900 174.900 174.744 0.156 25588 8941 1 11 . 1 1 145 145 MET CA C 145 52.740 52.740 55.279 -2.539 25588 8942 1 11 . 1 1 145 145 MET H H 145 7.852 7.852 7.425 0.427 25588 8943 1 11 . 1 1 146 146 THR N N 146 111.100 111.100 117.387 -6.287 25588 8944 1 11 . 1 1 146 146 THR HA H 146 4.306 4.306 4.441 -0.135 25588 8945 1 11 . 1 1 146 146 THR C C 146 171.600 171.600 173.516 -1.916 25588 8946 1 11 . 1 1 146 146 THR CA C 146 59.830 59.830 61.622 -1.792 25588 8947 1 11 . 1 1 146 146 THR CB C 146 67.510 67.510 69.222 -1.712 25588 8948 1 11 . 1 1 146 146 THR H H 146 7.571 7.571 8.405 -0.834 25588 8949 1 11 . 1 1 147 147 ALA N N 147 126.300 126.300 126.624 -0.324 25588 8950 1 11 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.094 0.206 25588 8951 1 11 . 1 1 147 147 ALA C C 147 174.000 174.000 176.528 -2.528 25588 8952 1 11 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.072 -3.882 25588 8953 1 11 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.482 -3.002 25588 8954 1 11 . 1 1 147 147 ALA H H 147 7.723 7.723 7.803 -0.080 25588 8955 1 12 . 1 1 2 2 ASP N N 2 118.400 118.400 121.597 -3.197 25588 8956 1 12 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.740 -0.126 25588 8957 1 12 . 1 1 2 2 ASP C C 2 173.000 173.000 176.337 -3.337 25588 8958 1 12 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.085 -2.065 25588 8959 1 12 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.249 -2.429 25588 8960 1 12 . 1 1 2 2 ASP H H 2 8.311 8.311 8.291 0.020 25588 8961 1 12 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.148 0.206 25588 8962 1 12 . 1 1 3 3 GLN C C 3 173.000 173.000 175.630 -2.630 25588 8963 1 12 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.858 -3.948 25588 8964 1 12 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.562 -2.412 25588 8965 1 12 . 1 1 3 3 GLN H H 3 8.321 8.321 8.666 -0.345 25588 8966 1 12 . 1 1 4 4 LEU N N 4 123.200 123.200 120.447 2.753 25588 8967 1 12 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.694 -0.044 25588 8968 1 12 . 1 1 4 4 LEU C C 4 175.100 175.100 175.274 -0.174 25588 8969 1 12 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.171 -2.381 25588 8970 1 12 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.489 -2.628 25588 8971 1 12 . 1 1 4 4 LEU H H 4 8.268 8.268 8.185 0.083 25588 8972 1 12 . 1 1 5 5 THR N N 5 113.000 113.000 116.567 -3.567 25588 8973 1 12 . 1 1 5 5 THR HA H 5 4.754 4.754 4.599 0.155 25588 8974 1 12 . 1 1 5 5 THR C C 5 172.800 172.800 174.975 -2.175 25588 8975 1 12 . 1 1 5 5 THR CA C 5 57.880 57.880 60.262 -2.382 25588 8976 1 12 . 1 1 5 5 THR CB C 5 68.480 68.480 71.243 -2.763 25588 8977 1 12 . 1 1 5 5 THR H H 5 8.682 8.682 8.023 0.659 25588 8978 1 12 . 1 1 6 6 GLU N N 6 120.500 120.500 121.603 -1.103 25588 8979 1 12 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.029 -0.066 25588 8980 1 12 . 1 1 6 6 GLU C C 6 176.800 176.800 177.934 -1.134 25588 8981 1 12 . 1 1 6 6 GLU CA C 6 57.430 57.430 58.864 -1.434 25588 8982 1 12 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.290 -2.770 25588 8983 1 12 . 1 1 6 6 GLU H H 6 8.990 8.990 9.005 -0.015 25588 8984 1 12 . 1 1 7 7 GLU N N 7 119.600 119.600 118.226 1.374 25588 8985 1 12 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.000 0.069 25588 8986 1 12 . 1 1 7 7 GLU C C 7 176.500 176.500 178.972 -2.472 25588 8987 1 12 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.257 -1.877 25588 8988 1 12 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.230 -2.800 25588 8989 1 12 . 1 1 7 7 GLU H H 7 8.668 8.668 8.763 -0.095 25588 8990 1 12 . 1 1 8 8 GLN N N 8 120.100 120.100 117.731 2.369 25588 8991 1 12 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.358 -0.489 25588 8992 1 12 . 1 1 8 8 GLN C C 8 175.700 175.700 178.967 -3.267 25588 8993 1 12 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.378 -2.428 25588 8994 1 12 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.808 -1.998 25588 8995 1 12 . 1 1 8 8 GLN H H 8 7.721 7.721 7.518 0.203 25588 8996 1 12 . 1 1 9 9 ILE N N 9 119.600 119.600 120.817 -1.217 25588 8997 1 12 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.858 -0.146 25588 8998 1 12 . 1 1 9 9 ILE C C 9 175.100 175.100 177.849 -2.749 25588 8999 1 12 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.706 -1.176 25588 9000 1 12 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.858 -2.778 25588 9001 1 12 . 1 1 9 9 ILE H H 9 8.373 8.373 7.533 0.840 25588 9002 1 12 . 1 1 10 10 ALA N N 10 121.300 121.300 121.227 0.073 25588 9003 1 12 . 1 1 10 10 ALA C C 10 178.400 178.400 179.028 -0.628 25588 9004 1 12 . 1 1 10 10 ALA CA C 10 52.790 52.790 54.914 -2.124 25588 9005 1 12 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.863 -2.503 25588 9006 1 12 . 1 1 10 10 ALA H H 10 7.984 7.984 8.303 -0.319 25588 9007 1 12 . 1 1 11 11 GLU N N 11 119.500 119.500 119.701 -0.201 25588 9008 1 12 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.930 0.217 25588 9009 1 12 . 1 1 11 11 GLU C C 11 177.900 177.900 179.195 -1.295 25588 9010 1 12 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.148 -2.478 25588 9011 1 12 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.327 -2.827 25588 9012 1 12 . 1 1 11 11 GLU H H 11 7.779 7.779 7.710 0.069 25588 9013 1 12 . 1 1 12 12 PHE N N 12 120.200 120.200 117.858 2.342 25588 9014 1 12 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.319 0.701 25588 9015 1 12 . 1 1 12 12 PHE C C 12 176.100 176.100 177.857 -1.757 25588 9016 1 12 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.292 -4.682 25588 9017 1 12 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.846 -3.567 25588 9018 1 12 . 1 1 12 12 PHE H H 12 8.562 8.562 8.359 0.203 25588 9019 1 12 . 1 1 13 13 LYS N N 13 123.500 123.500 120.014 3.486 25588 9020 1 12 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.078 -0.089 25588 9021 1 12 . 1 1 13 13 LYS C C 13 176.700 176.700 179.071 -2.371 25588 9022 1 12 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.706 -2.186 25588 9023 1 12 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.361 -3.050 25588 9024 1 12 . 1 1 13 13 LYS H H 13 9.161 9.161 7.650 1.511 25588 9025 1 12 . 1 1 14 14 GLU N N 14 120.400 120.400 118.107 2.293 25588 9026 1 12 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.205 -0.080 25588 9027 1 12 . 1 1 14 14 GLU C C 14 176.800 176.800 178.988 -2.188 25588 9028 1 12 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.668 -1.938 25588 9029 1 12 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.462 -2.862 25588 9030 1 12 . 1 1 14 14 GLU H H 14 7.786 7.786 8.309 -0.523 25588 9031 1 12 . 1 1 15 15 ALA N N 15 122.600 122.600 121.533 1.067 25588 9032 1 12 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.973 0.310 25588 9033 1 12 . 1 1 15 15 ALA C C 15 176.400 176.400 179.100 -2.700 25588 9034 1 12 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.551 -1.962 25588 9035 1 12 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.057 -2.517 25588 9036 1 12 . 1 1 15 15 ALA H H 15 7.981 7.981 7.890 0.091 25588 9037 1 12 . 1 1 16 16 PHE N N 16 119.400 119.400 118.506 0.894 25588 9038 1 12 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.491 -1.285 25588 9039 1 12 . 1 1 16 16 PHE C C 16 174.600 174.600 177.295 -2.695 25588 9040 1 12 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.235 -1.875 25588 9041 1 12 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.193 -2.153 25588 9042 1 12 . 1 1 16 16 PHE H H 16 8.796 8.796 7.813 0.983 25588 9043 1 12 . 1 1 17 17 SER N N 17 112.600 112.600 114.376 -1.776 25588 9044 1 12 . 1 1 17 17 SER HA H 17 4.028 4.028 4.155 -0.127 25588 9045 1 12 . 1 1 17 17 SER C C 17 172.400 172.400 175.668 -3.268 25588 9046 1 12 . 1 1 17 17 SER CA C 17 58.820 58.820 60.323 -1.503 25588 9047 1 12 . 1 1 17 17 SER CB C 17 60.680 60.680 63.514 -2.834 25588 9048 1 12 . 1 1 17 17 SER H H 17 7.898 7.898 7.795 0.103 25588 9049 1 12 . 1 1 18 18 LEU N N 18 121.000 121.000 123.824 -2.824 25588 9050 1 12 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.917 0.078 25588 9051 1 12 . 1 1 18 18 LEU C C 18 175.300 175.300 177.606 -2.306 25588 9052 1 12 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.624 -3.134 25588 9053 1 12 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.428 -2.558 25588 9054 1 12 . 1 1 18 18 LEU H H 18 7.426 7.426 7.188 0.238 25588 9055 1 12 . 1 1 19 19 PHE N N 19 115.200 115.200 115.159 0.041 25588 9056 1 12 . 1 1 19 19 PHE C C 19 174.100 174.100 178.002 -3.902 25588 9057 1 12 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.321 -4.681 25588 9058 1 12 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.379 -0.129 25588 9059 1 12 . 1 1 19 19 PHE H H 19 7.309 7.309 7.539 -0.230 25588 9060 1 12 . 1 1 20 20 ASP N N 20 117.700 117.700 118.425 -0.725 25588 9061 1 12 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.527 0.013 25588 9062 1 12 . 1 1 20 20 ASP C C 20 174.500 174.500 178.081 -3.581 25588 9063 1 12 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.477 -4.757 25588 9064 1 12 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.907 -4.707 25588 9065 1 12 . 1 1 20 20 ASP H H 20 7.814 7.814 7.843 -0.029 25588 9066 1 12 . 1 1 21 21 LYS N N 21 124.400 124.400 119.336 5.064 25588 9067 1 12 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.877 0.077 25588 9068 1 12 . 1 1 21 21 LYS C C 21 175.500 175.500 177.659 -2.159 25588 9069 1 12 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.092 -3.202 25588 9070 1 12 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.221 -2.161 25588 9071 1 12 . 1 1 21 21 LYS H H 21 7.652 7.652 7.582 0.070 25588 9072 1 12 . 1 1 22 22 ASP N N 22 113.900 113.900 116.774 -2.874 25588 9073 1 12 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.363 0.222 25588 9074 1 12 . 1 1 22 22 ASP C C 22 175.000 175.000 177.091 -2.091 25588 9075 1 12 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.672 -5.542 25588 9076 1 12 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.991 -4.081 25588 9077 1 12 . 1 1 22 22 ASP H H 22 8.056 8.056 7.752 0.304 25588 9078 1 12 . 1 1 23 23 GLY N N 23 109.200 109.200 109.066 0.134 25588 9079 1 12 . 1 1 23 23 GLY C C 23 172.300 172.300 173.633 -1.333 25588 9080 1 12 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.638 -0.048 25588 9081 1 12 . 1 1 23 23 GLY H H 23 7.660 7.660 7.721 -0.061 25588 9082 1 12 . 1 1 24 24 ASP N N 24 118.600 118.600 118.436 0.164 25588 9083 1 12 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.533 0.084 25588 9084 1 12 . 1 1 24 24 ASP C C 24 174.200 174.200 175.804 -1.604 25588 9085 1 12 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.275 -5.304 25588 9086 1 12 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.013 -5.923 25588 9087 1 12 . 1 1 24 24 ASP H H 24 8.052 8.052 8.391 -0.339 25588 9088 1 12 . 1 1 25 25 GLY N N 25 113.400 113.400 107.707 5.693 25588 9089 1 12 . 1 1 25 25 GLY C C 25 170.600 170.600 173.048 -2.448 25588 9090 1 12 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.925 -1.765 25588 9091 1 12 . 1 1 25 25 GLY H H 25 10.570 10.570 7.983 2.587 25588 9092 1 12 . 1 1 26 26 THR N N 26 109.100 109.100 117.861 -8.761 25588 9093 1 12 . 1 1 26 26 THR HA H 26 5.271 5.271 4.378 0.893 25588 9094 1 12 . 1 1 26 26 THR C C 26 170.200 170.200 172.617 -2.417 25588 9095 1 12 . 1 1 26 26 THR CA C 26 57.170 57.170 61.931 -4.761 25588 9096 1 12 . 1 1 26 26 THR CB C 26 69.920 69.920 72.209 -2.289 25588 9097 1 12 . 1 1 26 26 THR H H 26 7.661 7.661 8.053 -0.392 25588 9098 1 12 . 1 1 27 27 ILE N N 27 127.100 127.100 127.085 0.015 25588 9099 1 12 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.538 0.433 25588 9100 1 12 . 1 1 27 27 ILE C C 27 173.400 173.400 174.905 -1.505 25588 9101 1 12 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.661 -1.841 25588 9102 1 12 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.514 -2.794 25588 9103 1 12 . 1 1 27 27 ILE H H 27 9.766 9.766 8.195 1.571 25588 9104 1 12 . 1 1 28 28 THR N N 28 116.500 116.500 116.220 0.280 25588 9105 1 12 . 1 1 28 28 THR HA H 28 4.802 4.802 5.012 -0.210 25588 9106 1 12 . 1 1 28 28 THR C C 28 173.900 173.900 176.069 -2.169 25588 9107 1 12 . 1 1 28 28 THR CA C 28 56.980 56.980 59.619 -2.639 25588 9108 1 12 . 1 1 28 28 THR CB C 28 69.730 69.730 72.588 -2.858 25588 9109 1 12 . 1 1 28 28 THR H H 28 8.458 8.458 7.628 0.830 25588 9110 1 12 . 1 1 29 29 THR N N 29 112.900 112.900 113.188 -0.288 25588 9111 1 12 . 1 1 29 29 THR HA H 29 4.169 4.169 4.023 0.146 25588 9112 1 12 . 1 1 29 29 THR C C 29 174.500 174.500 176.533 -2.033 25588 9113 1 12 . 1 1 29 29 THR CA C 29 63.940 63.940 66.295 -2.355 25588 9114 1 12 . 1 1 29 29 THR CB C 29 65.170 65.170 68.590 -3.420 25588 9115 1 12 . 1 1 29 29 THR H H 29 9.066 9.066 8.926 0.140 25588 9116 1 12 . 1 1 30 30 LYS N N 30 120.800 120.800 121.738 -0.938 25588 9117 1 12 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.949 0.162 25588 9118 1 12 . 1 1 30 30 LYS C C 30 177.200 177.200 178.671 -1.471 25588 9119 1 12 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.354 -2.824 25588 9120 1 12 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.275 -2.314 25588 9121 1 12 . 1 1 30 30 LYS H H 30 7.664 7.664 7.741 -0.077 25588 9122 1 12 . 1 1 31 31 GLU N N 31 121.400 121.400 119.023 2.377 25588 9123 1 12 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.989 0.076 25588 9124 1 12 . 1 1 31 31 GLU C C 31 176.500 176.500 179.343 -2.843 25588 9125 1 12 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.065 -2.485 25588 9126 1 12 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.764 -2.604 25588 9127 1 12 . 1 1 31 31 GLU H H 31 7.635 7.635 7.510 0.125 25588 9128 1 12 . 1 1 32 32 LEU N N 32 120.600 120.600 120.968 -0.368 25588 9129 1 12 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.333 -0.251 25588 9130 1 12 . 1 1 32 32 LEU C C 32 176.300 176.300 178.858 -2.558 25588 9131 1 12 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.380 -1.970 25588 9132 1 12 . 1 1 32 32 LEU CB C 32 39.970 39.970 42.010 -2.040 25588 9133 1 12 . 1 1 32 32 LEU H H 32 8.699 8.699 7.813 0.886 25588 9134 1 12 . 1 1 33 33 GLY N N 33 105.600 105.600 104.306 1.294 25588 9135 1 12 . 1 1 33 33 GLY C C 33 172.500 172.500 176.075 -3.575 25588 9136 1 12 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.520 -1.800 25588 9137 1 12 . 1 1 33 33 GLY H H 33 8.616 8.616 8.834 -0.218 25588 9138 1 12 . 1 1 34 34 THR N N 34 118.000 118.000 119.433 -1.433 25588 9139 1 12 . 1 1 34 34 THR HA H 34 3.913 3.913 3.965 -0.052 25588 9140 1 12 . 1 1 34 34 THR C C 34 174.500 174.500 176.371 -1.871 25588 9141 1 12 . 1 1 34 34 THR CA C 34 64.250 64.250 66.520 -2.270 25588 9142 1 12 . 1 1 34 34 THR CB C 34 66.100 66.100 68.627 -2.527 25588 9143 1 12 . 1 1 34 34 THR H H 34 7.867 7.867 7.458 0.409 25588 9144 1 12 . 1 1 35 35 VAL N N 35 122.100 122.100 121.375 0.725 25588 9145 1 12 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.624 -0.166 25588 9146 1 12 . 1 1 35 35 VAL C C 35 176.500 176.500 177.012 -0.512 25588 9147 1 12 . 1 1 35 35 VAL CA C 35 63.630 63.630 66.017 -2.387 25588 9148 1 12 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.160 -3.039 25588 9149 1 12 . 1 1 35 35 VAL H H 35 7.613 7.613 8.063 -0.450 25588 9150 1 12 . 1 1 36 36 MET N N 36 118.400 118.400 117.199 1.201 25588 9151 1 12 . 1 1 36 36 MET HA H 36 4.095 4.095 4.055 0.040 25588 9152 1 12 . 1 1 36 36 MET C C 36 176.500 176.500 177.798 -1.298 25588 9153 1 12 . 1 1 36 36 MET CA C 36 56.420 56.420 57.661 -1.241 25588 9154 1 12 . 1 1 36 36 MET H H 36 8.440 8.440 7.437 1.003 25588 9155 1 12 . 1 1 37 37 ARG N N 37 119.000 119.000 117.765 1.235 25588 9156 1 12 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.054 0.747 25588 9157 1 12 . 1 1 37 37 ARG C C 37 178.500 178.500 179.384 -0.884 25588 9158 1 12 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.191 -2.771 25588 9159 1 12 . 1 1 37 37 ARG H H 37 8.474 8.474 8.018 0.456 25588 9160 1 12 . 1 1 38 38 SER N N 38 118.800 118.800 116.038 2.762 25588 9161 1 12 . 1 1 38 38 SER HA H 38 4.380 4.380 4.199 0.181 25588 9162 1 12 . 1 1 38 38 SER C C 38 172.200 172.200 176.092 -3.892 25588 9163 1 12 . 1 1 38 38 SER CA C 38 58.930 58.930 61.120 -2.191 25588 9164 1 12 . 1 1 38 38 SER CB C 38 60.200 60.200 62.937 -2.737 25588 9165 1 12 . 1 1 38 38 SER H H 38 7.899 7.899 7.920 -0.021 25588 9166 1 12 . 1 1 39 39 LEU N N 39 120.600 120.600 118.135 2.465 25588 9167 1 12 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.571 -0.076 25588 9168 1 12 . 1 1 39 39 LEU C C 39 174.800 174.800 177.763 -2.963 25588 9169 1 12 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.930 -2.000 25588 9170 1 12 . 1 1 39 39 LEU H H 39 7.364 7.364 7.442 -0.078 25588 9171 1 12 . 1 1 40 40 GLY N N 40 106.800 106.800 109.296 -2.496 25588 9172 1 12 . 1 1 40 40 GLY C C 40 171.700 171.700 174.320 -2.620 25588 9173 1 12 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.566 -3.596 25588 9174 1 12 . 1 1 40 40 GLY H H 40 7.862 7.862 8.093 -0.231 25588 9175 1 12 . 1 1 41 41 GLN N N 41 118.400 118.400 122.760 -4.360 25588 9176 1 12 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.454 0.026 25588 9177 1 12 . 1 1 41 41 GLN C C 41 171.400 171.400 173.363 -1.963 25588 9178 1 12 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.324 -3.434 25588 9179 1 12 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.515 -3.435 25588 9180 1 12 . 1 1 41 41 GLN H H 41 7.788 7.788 8.583 -0.795 25588 9181 1 12 . 1 1 42 42 ASN N N 42 116.300 116.300 122.684 -6.384 25588 9182 1 12 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.357 -0.164 25588 9183 1 12 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.544 -0.924 25588 9184 1 12 . 1 1 42 42 ASN H H 42 8.665 8.665 8.347 0.318 25588 9185 1 12 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.057 0.678 25588 9186 1 12 . 1 1 43 43 PRO C C 43 175.100 175.100 178.595 -3.495 25588 9187 1 12 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.845 -6.065 25588 9188 1 12 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.652 -2.262 25588 9189 1 12 . 1 1 44 44 THR N N 44 112.900 112.900 113.069 -0.169 25588 9190 1 12 . 1 1 44 44 THR HA H 44 4.707 4.707 3.961 0.746 25588 9191 1 12 . 1 1 44 44 THR C C 44 172.600 172.600 176.821 -4.221 25588 9192 1 12 . 1 1 44 44 THR CA C 44 57.830 57.830 66.639 -8.809 25588 9193 1 12 . 1 1 44 44 THR CB C 44 68.490 68.490 68.339 0.151 25588 9194 1 12 . 1 1 44 44 THR H H 44 8.702 8.702 7.928 0.774 25588 9195 1 12 . 1 1 45 45 GLU N N 45 120.800 120.800 120.185 0.615 25588 9196 1 12 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.296 -0.321 25588 9197 1 12 . 1 1 45 45 GLU C C 45 176.300 176.300 178.407 -2.107 25588 9198 1 12 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.281 -0.821 25588 9199 1 12 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.574 -3.154 25588 9200 1 12 . 1 1 45 45 GLU H H 45 8.789 8.789 8.574 0.215 25588 9201 1 12 . 1 1 46 46 ALA N N 46 120.700 120.700 123.930 -3.230 25588 9202 1 12 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.018 0.071 25588 9203 1 12 . 1 1 46 46 ALA C C 46 177.700 177.700 179.530 -1.830 25588 9204 1 12 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.370 -2.960 25588 9205 1 12 . 1 1 46 46 ALA CB C 46 15.650 15.650 18.026 -2.376 25588 9206 1 12 . 1 1 46 46 ALA H H 46 8.241 8.241 8.226 0.015 25588 9207 1 12 . 1 1 47 47 GLU N N 47 118.900 118.900 118.083 0.817 25588 9208 1 12 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.149 -0.146 25588 9209 1 12 . 1 1 47 47 GLU C C 47 177.500 177.500 179.339 -1.839 25588 9210 1 12 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.725 -2.315 25588 9211 1 12 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.672 -2.612 25588 9212 1 12 . 1 1 47 47 GLU H H 47 7.682 7.682 7.927 -0.245 25588 9213 1 12 . 1 1 48 48 LEU N N 48 120.600 120.600 119.946 0.654 25588 9214 1 12 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.012 0.049 25588 9215 1 12 . 1 1 48 48 LEU C C 48 175.900 175.900 178.648 -2.748 25588 9216 1 12 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.093 -1.823 25588 9217 1 12 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.404 -1.664 25588 9218 1 12 . 1 1 48 48 LEU H H 48 8.169 8.169 7.475 0.694 25588 9219 1 12 . 1 1 49 49 GLN N N 49 118.200 118.200 119.910 -1.710 25588 9220 1 12 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.844 -0.017 25588 9221 1 12 . 1 1 49 49 GLN C C 49 175.900 175.900 178.046 -2.146 25588 9222 1 12 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.222 -3.252 25588 9223 1 12 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.862 -2.342 25588 9224 1 12 . 1 1 49 49 GLN H H 49 8.179 8.179 8.197 -0.018 25588 9225 1 12 . 1 1 50 50 ASP N N 50 119.900 119.900 118.774 1.126 25588 9226 1 12 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.446 -0.063 25588 9227 1 12 . 1 1 50 50 ASP C C 50 175.900 175.900 178.212 -2.312 25588 9228 1 12 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.868 -1.918 25588 9229 1 12 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.824 -3.034 25588 9230 1 12 . 1 1 50 50 ASP H H 50 8.037 8.037 7.630 0.407 25588 9231 1 12 . 1 1 51 51 MET N N 51 119.300 119.300 120.708 -1.408 25588 9232 1 12 . 1 1 51 51 MET HA H 51 4.028 4.028 4.095 -0.067 25588 9233 1 12 . 1 1 51 51 MET C C 51 176.200 176.200 178.164 -1.964 25588 9234 1 12 . 1 1 51 51 MET CA C 51 56.710 56.710 59.170 -2.460 25588 9235 1 12 . 1 1 51 51 MET CB C 51 30.570 30.570 32.731 -2.161 25588 9236 1 12 . 1 1 51 51 MET H H 51 7.855 7.855 7.321 0.534 25588 9237 1 12 . 1 1 52 52 ILE N N 52 118.200 118.200 119.400 -1.200 25588 9238 1 12 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.506 -0.017 25588 9239 1 12 . 1 1 52 52 ILE C C 52 175.100 175.100 177.874 -2.774 25588 9240 1 12 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.789 -3.569 25588 9241 1 12 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.754 1.577 25588 9242 1 12 . 1 1 52 52 ILE H H 52 7.701 7.701 8.861 -1.160 25588 9243 1 12 . 1 1 53 53 ASN N N 53 117.700 117.700 117.773 -0.073 25588 9244 1 12 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.353 0.008 25588 9245 1 12 . 1 1 53 53 ASN C C 53 174.800 174.800 177.478 -2.678 25588 9246 1 12 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.613 -3.323 25588 9247 1 12 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.266 -2.825 25588 9248 1 12 . 1 1 53 53 ASN H H 53 8.529 8.529 7.869 0.660 25588 9249 1 12 . 1 1 54 54 GLU N N 54 116.400 116.400 120.818 -4.418 25588 9250 1 12 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.055 -0.034 25588 9251 1 12 . 1 1 54 54 GLU C C 54 175.000 175.000 178.370 -3.370 25588 9252 1 12 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.325 -3.085 25588 9253 1 12 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.805 -1.975 25588 9254 1 12 . 1 1 54 54 GLU H H 54 7.573 7.573 7.908 -0.335 25588 9255 1 12 . 1 1 55 55 VAL N N 55 108.400 108.400 118.589 -10.189 25588 9256 1 12 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.882 0.564 25588 9257 1 12 . 1 1 55 55 VAL C C 55 173.100 173.100 177.513 -4.413 25588 9258 1 12 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.177 -7.087 25588 9259 1 12 . 1 1 55 55 VAL H H 55 7.204 7.204 7.737 -0.533 25588 9260 1 12 . 1 1 56 56 ASP N N 56 126.900 126.900 119.451 7.449 25588 9261 1 12 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.537 0.101 25588 9262 1 12 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.925 -3.875 25588 9263 1 12 . 1 1 56 56 ASP CB C 56 37.480 37.480 41.002 -3.522 25588 9264 1 12 . 1 1 56 56 ASP H H 56 7.649 7.649 8.131 -0.482 25588 9265 1 12 . 1 1 57 57 ALA N N 57 131.900 131.900 121.312 10.588 25588 9266 1 12 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.207 -0.025 25588 9267 1 12 . 1 1 57 57 ALA C C 57 176.000 176.000 177.646 -1.646 25588 9268 1 12 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.249 -1.559 25588 9269 1 12 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.071 -1.171 25588 9270 1 12 . 1 1 57 57 ALA H H 57 8.458 8.458 7.904 0.554 25588 9271 1 12 . 1 1 58 58 ASP N N 58 113.800 113.800 118.100 -4.300 25588 9272 1 12 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.427 0.184 25588 9273 1 12 . 1 1 58 58 ASP C C 58 175.200 175.200 176.933 -1.733 25588 9274 1 12 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.224 -5.184 25588 9275 1 12 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.615 -3.415 25588 9276 1 12 . 1 1 58 58 ASP H H 58 8.125 8.125 7.741 0.384 25588 9277 1 12 . 1 1 59 59 GLY N N 59 108.400 108.400 106.620 1.780 25588 9278 1 12 . 1 1 59 59 GLY C C 59 172.500 172.500 173.313 -0.813 25588 9279 1 12 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.254 -0.594 25588 9280 1 12 . 1 1 59 59 GLY H H 59 7.550 7.550 7.810 -0.260 25588 9281 1 12 . 1 1 60 60 ASN N N 60 120.600 120.600 117.030 3.570 25588 9282 1 12 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.732 -0.245 25588 9283 1 12 . 1 1 60 60 ASN C C 60 174.800 174.800 174.794 0.006 25588 9284 1 12 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.684 -1.504 25588 9285 1 12 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.550 -1.710 25588 9286 1 12 . 1 1 60 60 ASN H H 60 8.356 8.356 8.160 0.196 25588 9287 1 12 . 1 1 61 61 GLY N N 61 113.300 113.300 107.037 6.263 25588 9288 1 12 . 1 1 61 61 GLY C C 61 171.100 171.100 173.790 -2.690 25588 9289 1 12 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.682 -2.852 25588 9290 1 12 . 1 1 61 61 GLY H H 61 10.610 10.610 8.736 1.874 25588 9291 1 12 . 1 1 62 62 THR N N 62 112.900 112.900 112.268 0.632 25588 9292 1 12 . 1 1 62 62 THR HA H 62 4.756 4.756 5.219 -0.463 25588 9293 1 12 . 1 1 62 62 THR C C 62 170.500 170.500 173.436 -2.936 25588 9294 1 12 . 1 1 62 62 THR CA C 62 57.050 57.050 59.578 -2.528 25588 9295 1 12 . 1 1 62 62 THR CB C 62 69.100 69.100 72.079 -2.979 25588 9296 1 12 . 1 1 62 62 THR H H 62 8.111 8.111 7.682 0.429 25588 9297 1 12 . 1 1 63 63 ILE N N 63 123.900 123.900 124.774 -0.874 25588 9298 1 12 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.292 0.860 25588 9299 1 12 . 1 1 63 63 ILE C C 63 172.900 172.900 174.819 -1.919 25588 9300 1 12 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.353 -2.994 25588 9301 1 12 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.400 -4.540 25588 9302 1 12 . 1 1 63 63 ILE H H 63 8.905 8.905 8.869 0.036 25588 9303 1 12 . 1 1 64 64 ASP N N 64 128.200 128.200 126.970 1.230 25588 9304 1 12 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.615 0.727 25588 9305 1 12 . 1 1 64 64 ASP C C 64 173.700 173.700 177.182 -3.482 25588 9306 1 12 . 1 1 64 64 ASP CA C 64 49.470 49.470 55.242 -5.772 25588 9307 1 12 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.397 -1.747 25588 9308 1 12 . 1 1 64 64 ASP H H 64 8.778 8.778 8.683 0.095 25588 9309 1 12 . 1 1 65 65 PHE N N 65 118.700 118.700 119.881 -1.181 25588 9310 1 12 . 1 1 65 65 PHE CA C 65 61.020 61.020 62.993 -1.973 25588 9311 1 12 . 1 1 65 65 PHE H H 65 8.903 8.903 8.943 -0.040 25588 9312 1 12 . 1 1 66 66 PRO C C 66 177.400 177.400 178.902 -1.502 25588 9313 1 12 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.482 -2.522 25588 9314 1 12 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.361 -3.301 25588 9315 1 12 . 1 1 67 67 GLU N N 67 117.600 117.600 117.609 -0.009 25588 9316 1 12 . 1 1 67 67 GLU C C 67 176.100 176.100 178.888 -2.788 25588 9317 1 12 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.393 -3.323 25588 9318 1 12 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.244 -2.494 25588 9319 1 12 . 1 1 67 67 GLU H H 67 7.894 7.894 8.740 -0.846 25588 9320 1 12 . 1 1 68 68 PHE N N 68 123.500 123.500 121.969 1.531 25588 9321 1 12 . 1 1 68 68 PHE C C 68 174.400 174.400 177.029 -2.629 25588 9322 1 12 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.707 -3.097 25588 9323 1 12 . 1 1 68 68 PHE CB C 68 37.520 37.520 39.028 -1.508 25588 9324 1 12 . 1 1 68 68 PHE H H 68 8.826 8.826 7.772 1.054 25588 9325 1 12 . 1 1 69 69 LEU N N 69 119.000 119.000 118.818 0.182 25588 9326 1 12 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.889 -0.554 25588 9327 1 12 . 1 1 69 69 LEU C C 69 176.600 176.600 178.975 -2.375 25588 9328 1 12 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.333 -2.983 25588 9329 1 12 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.648 -3.468 25588 9330 1 12 . 1 1 69 69 LEU H H 69 8.321 8.321 8.545 -0.224 25588 9331 1 12 . 1 1 70 70 THR N N 70 115.500 115.500 115.271 0.229 25588 9332 1 12 . 1 1 70 70 THR HA H 70 4.317 4.317 3.926 0.391 25588 9333 1 12 . 1 1 70 70 THR C C 70 173.400 173.400 176.349 -2.949 25588 9334 1 12 . 1 1 70 70 THR CA C 70 63.720 63.720 66.847 -3.127 25588 9335 1 12 . 1 1 70 70 THR CB C 70 65.630 65.630 68.651 -3.021 25588 9336 1 12 . 1 1 70 70 THR H H 70 7.476 7.476 7.733 -0.257 25588 9337 1 12 . 1 1 71 71 MET N N 71 121.700 121.700 121.505 0.195 25588 9338 1 12 . 1 1 71 71 MET HA H 71 3.758 3.758 3.982 -0.224 25588 9339 1 12 . 1 1 71 71 MET C C 71 175.600 175.600 177.724 -2.124 25588 9340 1 12 . 1 1 71 71 MET CA C 71 56.370 56.370 59.213 -2.843 25588 9341 1 12 . 1 1 71 71 MET CB C 71 30.590 30.590 32.620 -2.030 25588 9342 1 12 . 1 1 71 71 MET H H 71 7.774 7.774 8.519 -0.745 25588 9343 1 12 . 1 1 72 72 MET N N 72 116.900 116.900 117.158 -0.258 25588 9344 1 12 . 1 1 72 72 MET HA H 72 3.993 3.993 3.981 0.012 25588 9345 1 12 . 1 1 72 72 MET C C 72 175.900 175.900 178.287 -2.387 25588 9346 1 12 . 1 1 72 72 MET CA C 72 53.200 53.200 57.277 -4.077 25588 9347 1 12 . 1 1 72 72 MET CB C 72 28.520 28.520 30.955 -2.435 25588 9348 1 12 . 1 1 72 72 MET H H 72 8.082 8.082 8.172 -0.090 25588 9349 1 12 . 1 1 73 73 ALA N N 73 122.300 122.300 122.304 -0.004 25588 9350 1 12 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.919 0.155 25588 9351 1 12 . 1 1 73 73 ALA C C 73 177.200 177.200 179.041 -1.841 25588 9352 1 12 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.012 -3.042 25588 9353 1 12 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.331 -2.591 25588 9354 1 12 . 1 1 73 73 ALA H H 73 8.149 8.149 7.799 0.350 25588 9355 1 12 . 1 1 74 74 ARG N N 74 116.600 116.600 116.622 -0.022 25588 9356 1 12 . 1 1 74 74 ARG C C 74 175.200 175.200 178.378 -3.178 25588 9357 1 12 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.689 -3.129 25588 9358 1 12 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.334 -2.684 25588 9359 1 12 . 1 1 74 74 ARG H H 74 7.564 7.564 7.623 -0.059 25588 9360 1 12 . 1 1 75 75 LYS N N 75 118.800 118.800 117.229 1.571 25588 9361 1 12 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.139 0.056 25588 9362 1 12 . 1 1 75 75 LYS C C 75 175.100 175.100 177.700 -2.600 25588 9363 1 12 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.568 -2.838 25588 9364 1 12 . 1 1 75 75 LYS H H 75 7.668 7.668 7.878 -0.210 25588 9365 1 12 . 1 1 76 76 MET N N 76 118.300 118.300 117.701 0.599 25588 9366 1 12 . 1 1 76 76 MET HA H 76 4.331 4.331 4.482 -0.151 25588 9367 1 12 . 1 1 76 76 MET C C 76 173.900 173.900 175.227 -1.327 25588 9368 1 12 . 1 1 76 76 MET CA C 76 54.010 54.010 53.401 0.609 25588 9369 1 12 . 1 1 76 76 MET H H 76 7.861 7.861 7.968 -0.107 25588 9370 1 12 . 1 1 77 77 LYS N N 77 120.200 120.200 124.951 -4.751 25588 9371 1 12 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.378 -0.080 25588 9372 1 12 . 1 1 77 77 LYS C C 77 173.800 173.800 176.766 -2.966 25588 9373 1 12 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.770 -1.700 25588 9374 1 12 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.794 -3.424 25588 9375 1 12 . 1 1 77 77 LYS H H 77 7.797 7.797 8.436 -0.639 25588 9376 1 12 . 1 1 78 78 ASP N N 78 121.400 121.400 124.647 -3.247 25588 9377 1 12 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.397 0.276 25588 9378 1 12 . 1 1 78 78 ASP C C 78 173.900 173.900 177.793 -3.893 25588 9379 1 12 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.968 -3.068 25588 9380 1 12 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.430 -2.920 25588 9381 1 12 . 1 1 78 78 ASP H H 78 8.191 8.191 8.606 -0.415 25588 9382 1 12 . 1 1 79 79 THR N N 79 114.600 114.600 110.939 3.661 25588 9383 1 12 . 1 1 79 79 THR HA H 79 4.263 4.263 4.080 0.183 25588 9384 1 12 . 1 1 79 79 THR C C 79 171.900 171.900 175.936 -4.036 25588 9385 1 12 . 1 1 79 79 THR CA C 79 59.510 59.510 65.504 -5.994 25588 9386 1 12 . 1 1 79 79 THR CB C 79 67.090 67.090 68.766 -1.676 25588 9387 1 12 . 1 1 79 79 THR H H 79 8.063 8.063 8.419 -0.356 25588 9388 1 12 . 1 1 80 80 ASP N N 80 123.100 123.100 122.532 0.568 25588 9389 1 12 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.485 0.227 25588 9390 1 12 . 1 1 80 80 ASP C C 80 173.900 173.900 178.039 -4.139 25588 9391 1 12 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.807 -4.907 25588 9392 1 12 . 1 1 80 80 ASP CB C 80 38.670 38.670 40.023 -1.353 25588 9393 1 12 . 1 1 80 80 ASP H H 80 8.423 8.423 8.660 -0.237 25588 9394 1 12 . 1 1 81 81 SER N N 81 116.900 116.900 116.402 0.498 25588 9395 1 12 . 1 1 81 81 SER HA H 81 4.498 4.498 4.102 0.396 25588 9396 1 12 . 1 1 81 81 SER C C 81 172.700 172.700 175.784 -3.084 25588 9397 1 12 . 1 1 81 81 SER CA C 81 56.360 56.360 60.648 -4.288 25588 9398 1 12 . 1 1 81 81 SER CB C 81 61.310 61.310 63.044 -1.734 25588 9399 1 12 . 1 1 81 81 SER H H 81 8.357 8.357 7.607 0.750 25588 9400 1 12 . 1 1 82 82 GLU N N 82 122.800 122.800 122.760 0.040 25588 9401 1 12 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.847 0.281 25588 9402 1 12 . 1 1 82 82 GLU C C 82 175.300 175.300 178.903 -3.603 25588 9403 1 12 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.852 -3.583 25588 9404 1 12 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.491 -2.741 25588 9405 1 12 . 1 1 82 82 GLU H H 82 8.532 8.532 7.838 0.694 25588 9406 1 12 . 1 1 83 83 GLU N N 83 119.400 119.400 117.327 2.073 25588 9407 1 12 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.155 -0.121 25588 9408 1 12 . 1 1 83 83 GLU C C 83 176.000 176.000 178.918 -2.918 25588 9409 1 12 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.977 -1.907 25588 9410 1 12 . 1 1 83 83 GLU H H 83 8.365 8.365 7.685 0.680 25588 9411 1 12 . 1 1 84 84 GLU N N 84 118.700 118.700 119.426 -0.726 25588 9412 1 12 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.131 0.016 25588 9413 1 12 . 1 1 84 84 GLU C C 84 177.000 177.000 179.403 -2.403 25588 9414 1 12 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.654 -1.984 25588 9415 1 12 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.581 -2.781 25588 9416 1 12 . 1 1 84 84 GLU H H 84 8.073 8.073 7.666 0.407 25588 9417 1 12 . 1 1 85 85 ILE N N 85 122.200 122.200 118.817 3.383 25588 9418 1 12 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.778 0.216 25588 9419 1 12 . 1 1 85 85 ILE C C 85 175.300 175.300 177.467 -2.167 25588 9420 1 12 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.236 -2.106 25588 9421 1 12 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.544 -3.044 25588 9422 1 12 . 1 1 85 85 ILE H H 85 8.043 8.043 8.966 -0.923 25588 9423 1 12 . 1 1 86 86 ARG N N 86 121.700 121.700 119.798 1.902 25588 9424 1 12 . 1 1 86 86 ARG C C 86 176.700 176.700 178.701 -2.001 25588 9425 1 12 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.470 -2.110 25588 9426 1 12 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.377 -2.327 25588 9427 1 12 . 1 1 86 86 ARG H H 86 8.415 8.415 8.247 0.168 25588 9428 1 12 . 1 1 87 87 GLU N N 87 118.600 118.600 119.682 -1.082 25588 9429 1 12 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.134 -0.025 25588 9430 1 12 . 1 1 87 87 GLU C C 87 175.900 175.900 177.869 -1.969 25588 9431 1 12 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.942 -2.512 25588 9432 1 12 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.231 -2.681 25588 9433 1 12 . 1 1 87 87 GLU H H 87 8.056 8.056 7.820 0.236 25588 9434 1 12 . 1 1 88 88 ALA N N 88 122.000 122.000 121.005 0.995 25588 9435 1 12 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.158 0.060 25588 9436 1 12 . 1 1 88 88 ALA C C 88 176.600 176.600 179.237 -2.637 25588 9437 1 12 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.402 -1.952 25588 9438 1 12 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.001 -2.701 25588 9439 1 12 . 1 1 88 88 ALA H H 88 7.934 7.934 7.536 0.398 25588 9440 1 12 . 1 1 89 89 PHE N N 89 118.900 118.900 120.496 -1.596 25588 9441 1 12 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.233 -1.082 25588 9442 1 12 . 1 1 89 89 PHE C C 89 173.800 173.800 177.142 -3.342 25588 9443 1 12 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.500 -2.000 25588 9444 1 12 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.981 -2.611 25588 9445 1 12 . 1 1 89 89 PHE H H 89 8.537 8.537 7.867 0.670 25588 9446 1 12 . 1 1 90 90 ARG N N 90 115.600 115.600 119.161 -3.561 25588 9447 1 12 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.833 0.031 25588 9448 1 12 . 1 1 90 90 ARG C C 90 175.500 175.500 178.210 -2.710 25588 9449 1 12 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.135 -3.025 25588 9450 1 12 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.114 -2.464 25588 9451 1 12 . 1 1 90 90 ARG H H 90 7.656 7.656 7.640 0.016 25588 9452 1 12 . 1 1 91 91 VAL N N 91 118.300 118.300 118.632 -0.332 25588 9453 1 12 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.676 -0.189 25588 9454 1 12 . 1 1 91 91 VAL C C 91 174.700 174.700 177.937 -3.237 25588 9455 1 12 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.263 -3.253 25588 9456 1 12 . 1 1 91 91 VAL H H 91 7.496 7.496 7.362 0.134 25588 9457 1 12 . 1 1 92 92 PHE N N 92 116.300 116.300 118.436 -2.136 25588 9458 1 12 . 1 1 92 92 PHE C C 92 174.300 174.300 176.044 -1.744 25588 9459 1 12 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.394 -2.983 25588 9460 1 12 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.850 -2.230 25588 9461 1 12 . 1 1 92 92 PHE H H 92 7.460 7.460 8.243 -0.783 25588 9462 1 12 . 1 1 93 93 ASP N N 93 116.900 116.900 117.023 -0.123 25588 9463 1 12 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.713 -0.209 25588 9464 1 12 . 1 1 93 93 ASP C C 93 174.900 174.900 175.667 -0.767 25588 9465 1 12 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.666 -3.126 25588 9466 1 12 . 1 1 93 93 ASP H H 93 7.821 7.821 8.035 -0.214 25588 9467 1 12 . 1 1 94 94 LYS N N 94 125.900 125.900 124.269 1.631 25588 9468 1 12 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.084 -0.196 25588 9469 1 12 . 1 1 94 94 LYS C C 94 175.700 175.700 177.373 -1.673 25588 9470 1 12 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.610 -2.200 25588 9471 1 12 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.542 -2.372 25588 9472 1 12 . 1 1 94 94 LYS H H 94 7.689 7.689 8.481 -0.792 25588 9473 1 12 . 1 1 95 95 ASP N N 95 114.000 114.000 115.672 -1.672 25588 9474 1 12 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.378 0.176 25588 9475 1 12 . 1 1 95 95 ASP C C 95 175.100 175.100 177.972 -2.872 25588 9476 1 12 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.100 -4.780 25588 9477 1 12 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.785 -3.796 25588 9478 1 12 . 1 1 95 95 ASP H H 95 8.179 8.179 8.154 0.025 25588 9479 1 12 . 1 1 96 96 GLY N N 96 109.300 109.300 110.121 -0.821 25588 9480 1 12 . 1 1 96 96 GLY C C 96 172.500 172.500 175.443 -2.943 25588 9481 1 12 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.874 -2.374 25588 9482 1 12 . 1 1 96 96 GLY H H 96 7.765 7.765 8.056 -0.291 25588 9483 1 12 . 1 1 97 97 ASN N N 97 119.600 119.600 123.135 -3.535 25588 9484 1 12 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.457 0.187 25588 9485 1 12 . 1 1 97 97 ASN C C 97 173.400 173.400 175.177 -1.777 25588 9486 1 12 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.549 -4.479 25588 9487 1 12 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.863 -3.343 25588 9488 1 12 . 1 1 97 97 ASN H H 97 8.302 8.302 8.594 -0.292 25588 9489 1 12 . 1 1 98 98 GLY N N 98 113.000 113.000 105.546 7.454 25588 9490 1 12 . 1 1 98 98 GLY C C 98 169.800 169.800 172.286 -2.486 25588 9491 1 12 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.816 -1.306 25588 9492 1 12 . 1 1 98 98 GLY H H 98 10.620 10.620 7.436 3.184 25588 9493 1 12 . 1 1 99 99 TYR N N 99 115.900 115.900 117.873 -1.973 25588 9494 1 12 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.698 0.338 25588 9495 1 12 . 1 1 99 99 TYR C C 99 171.900 171.900 175.838 -3.938 25588 9496 1 12 . 1 1 99 99 TYR CA C 99 53.390 53.390 57.197 -3.807 25588 9497 1 12 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.458 -0.928 25588 9498 1 12 . 1 1 99 99 TYR H H 99 7.597 7.597 8.010 -0.413 25588 9499 1 12 . 1 1 100 100 ILE N N 100 127.400 127.400 123.725 3.675 25588 9500 1 12 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.429 0.350 25588 9501 1 12 . 1 1 100 100 ILE C C 100 172.900 172.900 176.037 -3.137 25588 9502 1 12 . 1 1 100 100 ILE CA C 100 57.660 57.660 60.850 -3.190 25588 9503 1 12 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.797 -2.847 25588 9504 1 12 . 1 1 100 100 ILE H H 100 10.120 10.120 8.327 1.793 25588 9505 1 12 . 1 1 101 101 SER N N 101 123.800 123.800 123.039 0.761 25588 9506 1 12 . 1 1 101 101 SER C C 101 172.600 172.600 175.750 -3.150 25588 9507 1 12 . 1 1 101 101 SER CA C 101 53.180 53.180 56.845 -3.665 25588 9508 1 12 . 1 1 101 101 SER CB C 101 63.970 63.970 65.043 -1.073 25588 9509 1 12 . 1 1 101 101 SER H H 101 8.944 8.944 8.523 0.421 25588 9510 1 12 . 1 1 102 102 ALA N N 102 122.900 122.900 123.917 -1.017 25588 9511 1 12 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.019 -0.105 25588 9512 1 12 . 1 1 102 102 ALA C C 102 176.700 176.700 178.939 -2.239 25588 9513 1 12 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.409 -2.109 25588 9514 1 12 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.345 -2.895 25588 9515 1 12 . 1 1 102 102 ALA H H 102 9.178 9.178 9.008 0.170 25588 9516 1 12 . 1 1 103 103 ALA N N 103 118.400 118.400 120.556 -2.156 25588 9517 1 12 . 1 1 103 103 ALA C C 103 178.700 178.700 179.697 -0.997 25588 9518 1 12 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.087 -2.537 25588 9519 1 12 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.318 -2.438 25588 9520 1 12 . 1 1 103 103 ALA H H 103 8.205 8.205 8.343 -0.138 25588 9521 1 12 . 1 1 104 104 GLU N N 104 119.700 119.700 118.498 1.202 25588 9522 1 12 . 1 1 104 104 GLU C C 104 176.600 176.600 179.000 -2.400 25588 9523 1 12 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.857 -2.217 25588 9524 1 12 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.636 -2.996 25588 9525 1 12 . 1 1 104 104 GLU H H 104 7.835 7.835 7.644 0.191 25588 9526 1 12 . 1 1 105 105 LEU N N 105 121.000 121.000 121.237 -0.237 25588 9527 1 12 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.084 0.015 25588 9528 1 12 . 1 1 105 105 LEU C C 105 175.800 175.800 178.108 -2.308 25588 9529 1 12 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.652 -1.992 25588 9530 1 12 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.970 -7.410 25588 9531 1 12 . 1 1 105 105 LEU H H 105 8.571 8.571 8.293 0.278 25588 9532 1 12 . 1 1 106 106 ARG N N 106 117.500 117.500 118.910 -1.410 25588 9533 1 12 . 1 1 106 106 ARG C C 106 176.000 176.000 177.935 -1.935 25588 9534 1 12 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.505 -3.275 25588 9535 1 12 . 1 1 106 106 ARG H H 106 8.522 8.522 8.394 0.128 25588 9536 1 12 . 1 1 107 107 HIS N N 107 119.000 119.000 117.255 1.745 25588 9537 1 12 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.338 -0.052 25588 9538 1 12 . 1 1 107 107 HIS C C 107 174.900 174.900 177.506 -2.606 25588 9539 1 12 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.607 -2.517 25588 9540 1 12 . 1 1 107 107 HIS H H 107 7.889 7.889 7.912 -0.023 25588 9541 1 12 . 1 1 108 108 VAL N N 108 118.900 118.900 120.168 -1.268 25588 9542 1 12 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.701 -0.216 25588 9543 1 12 . 1 1 108 108 VAL C C 108 175.400 175.400 178.150 -2.750 25588 9544 1 12 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.741 -3.221 25588 9545 1 12 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.472 -2.272 25588 9546 1 12 . 1 1 108 108 VAL H H 108 7.958 7.958 7.537 0.421 25588 9547 1 12 . 1 1 109 109 MET N N 109 116.400 116.400 117.993 -1.593 25588 9548 1 12 . 1 1 109 109 MET HA H 109 4.331 4.331 4.231 0.100 25588 9549 1 12 . 1 1 109 109 MET C C 109 176.000 176.000 178.724 -2.724 25588 9550 1 12 . 1 1 109 109 MET CA C 109 54.910 54.910 57.876 -2.966 25588 9551 1 12 . 1 1 109 109 MET CB C 109 28.750 28.750 31.381 -2.631 25588 9552 1 12 . 1 1 109 109 MET H H 109 8.247 8.247 8.455 -0.208 25588 9553 1 12 . 1 1 110 110 THR N N 110 114.900 114.900 115.244 -0.344 25588 9554 1 12 . 1 1 110 110 THR HA H 110 4.152 4.152 4.065 0.087 25588 9555 1 12 . 1 1 110 110 THR C C 110 175.000 175.000 175.752 -0.752 25588 9556 1 12 . 1 1 110 110 THR CA C 110 63.270 63.270 66.125 -2.855 25588 9557 1 12 . 1 1 110 110 THR CB C 110 66.230 66.230 68.222 -1.992 25588 9558 1 12 . 1 1 110 110 THR H H 110 8.125 8.125 8.013 0.112 25588 9559 1 12 . 1 1 111 111 ASN N N 111 122.200 122.200 118.218 3.982 25588 9560 1 12 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.450 -0.013 25588 9561 1 12 . 1 1 111 111 ASN C C 111 173.700 173.700 177.528 -3.828 25588 9562 1 12 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.441 -2.371 25588 9563 1 12 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.870 -3.050 25588 9564 1 12 . 1 1 111 111 ASN H H 111 7.867 7.867 7.659 0.208 25588 9565 1 12 . 1 1 112 112 LEU N N 112 119.100 119.100 119.840 -0.740 25588 9566 1 12 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.099 0.234 25588 9567 1 12 . 1 1 112 112 LEU C C 112 174.700 174.700 176.714 -2.014 25588 9568 1 12 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.494 -3.734 25588 9569 1 12 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.789 -3.339 25588 9570 1 12 . 1 1 112 112 LEU H H 112 7.850 7.850 7.408 0.442 25588 9571 1 12 . 1 1 113 113 GLY N N 113 106.800 106.800 104.270 2.530 25588 9572 1 12 . 1 1 113 113 GLY C C 113 171.700 171.700 172.178 -0.478 25588 9573 1 12 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.155 -2.365 25588 9574 1 12 . 1 1 113 113 GLY H H 113 7.830 7.830 7.467 0.363 25588 9575 1 12 . 1 1 114 114 GLU N N 114 120.600 120.600 119.484 1.116 25588 9576 1 12 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.653 -0.253 25588 9577 1 12 . 1 1 114 114 GLU C C 114 172.800 172.800 177.181 -4.381 25588 9578 1 12 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.120 -3.450 25588 9579 1 12 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.520 -2.560 25588 9580 1 12 . 1 1 114 114 GLU H H 114 7.914 7.914 8.663 -0.749 25588 9581 1 12 . 1 1 115 115 LYS N N 115 124.000 124.000 120.094 3.906 25588 9582 1 12 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.098 0.259 25588 9583 1 12 . 1 1 115 115 LYS C C 115 173.000 173.000 176.256 -3.256 25588 9584 1 12 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.549 -5.529 25588 9585 1 12 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.714 -3.304 25588 9586 1 12 . 1 1 115 115 LYS H H 115 8.505 8.505 8.471 0.034 25588 9587 1 12 . 1 1 116 116 LEU N N 116 125.000 125.000 116.201 8.799 25588 9588 1 12 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.553 0.206 25588 9589 1 12 . 1 1 116 116 LEU C C 116 175.300 175.300 176.593 -1.293 25588 9590 1 12 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.657 -1.237 25588 9591 1 12 . 1 1 116 116 LEU CB C 116 42.110 42.110 44.213 -2.103 25588 9592 1 12 . 1 1 116 116 LEU H H 116 8.076 8.076 7.550 0.526 25588 9593 1 12 . 1 1 117 117 THR N N 117 114.500 114.500 110.659 3.841 25588 9594 1 12 . 1 1 117 117 THR HA H 117 4.453 4.453 4.222 0.231 25588 9595 1 12 . 1 1 117 117 THR C C 117 172.800 172.800 174.484 -1.684 25588 9596 1 12 . 1 1 117 117 THR CA C 117 57.970 57.970 62.100 -4.130 25588 9597 1 12 . 1 1 117 117 THR CB C 117 68.610 68.610 69.851 -1.241 25588 9598 1 12 . 1 1 117 117 THR H H 117 9.116 9.116 8.360 0.756 25588 9599 1 12 . 1 1 118 118 ASP N N 118 121.000 121.000 119.284 1.716 25588 9600 1 12 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.634 -0.438 25588 9601 1 12 . 1 1 118 118 ASP C C 118 175.900 175.900 177.596 -1.696 25588 9602 1 12 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.289 -0.929 25588 9603 1 12 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.954 -3.844 25588 9604 1 12 . 1 1 118 118 ASP H H 118 8.847 8.847 8.658 0.189 25588 9605 1 12 . 1 1 119 119 GLU N N 119 119.100 119.100 119.343 -0.243 25588 9606 1 12 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.450 -0.380 25588 9607 1 12 . 1 1 119 119 GLU C C 119 176.500 176.500 177.541 -1.041 25588 9608 1 12 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.659 -1.379 25588 9609 1 12 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.621 -3.191 25588 9610 1 12 . 1 1 119 119 GLU H H 119 8.626 8.626 8.451 0.175 25588 9611 1 12 . 1 1 120 120 GLU N N 120 120.500 120.500 118.633 1.867 25588 9612 1 12 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.063 -0.073 25588 9613 1 12 . 1 1 120 120 GLU C C 120 177.400 177.400 178.672 -1.272 25588 9614 1 12 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.394 -2.804 25588 9615 1 12 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.105 -0.315 25588 9616 1 12 . 1 1 120 120 GLU H H 120 7.724 7.724 8.853 -1.129 25588 9617 1 12 . 1 1 121 121 VAL N N 121 121.100 121.100 115.192 5.908 25588 9618 1 12 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.771 -0.184 25588 9619 1 12 . 1 1 121 121 VAL C C 121 174.600 174.600 177.799 -3.199 25588 9620 1 12 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.516 -1.206 25588 9621 1 12 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.209 -2.829 25588 9622 1 12 . 1 1 121 121 VAL H H 121 8.062 8.062 8.044 0.018 25588 9623 1 12 . 1 1 122 122 ASP N N 122 119.600 119.600 121.372 -1.772 25588 9624 1 12 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.373 -0.064 25588 9625 1 12 . 1 1 122 122 ASP C C 122 176.500 176.500 178.188 -1.688 25588 9626 1 12 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.308 -2.308 25588 9627 1 12 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.270 -2.370 25588 9628 1 12 . 1 1 122 122 ASP H H 122 8.007 8.007 7.730 0.277 25588 9629 1 12 . 1 1 123 123 GLU N N 123 119.300 119.300 117.853 1.447 25588 9630 1 12 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.273 -0.275 25588 9631 1 12 . 1 1 123 123 GLU C C 123 175.400 175.400 178.339 -2.939 25588 9632 1 12 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.939 -1.279 25588 9633 1 12 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.389 -3.599 25588 9634 1 12 . 1 1 123 123 GLU H H 123 7.967 7.967 8.361 -0.394 25588 9635 1 12 . 1 1 124 124 MET N N 124 119.600 119.600 120.942 -1.342 25588 9636 1 12 . 1 1 124 124 MET HA H 124 4.033 4.033 4.275 -0.242 25588 9637 1 12 . 1 1 124 124 MET C C 124 176.500 176.500 178.464 -1.964 25588 9638 1 12 . 1 1 124 124 MET CA C 124 56.970 56.970 58.213 -1.243 25588 9639 1 12 . 1 1 124 124 MET CB C 124 30.470 30.470 32.467 -1.997 25588 9640 1 12 . 1 1 124 124 MET H H 124 7.789 7.789 8.513 -0.724 25588 9641 1 12 . 1 1 125 125 ILE N N 125 118.500 118.500 116.648 1.852 25588 9642 1 12 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.770 -0.271 25588 9643 1 12 . 1 1 125 125 ILE C C 125 174.600 174.600 177.434 -2.834 25588 9644 1 12 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.760 -2.570 25588 9645 1 12 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.502 -3.992 25588 9646 1 12 . 1 1 125 125 ILE H H 125 7.940 7.940 7.746 0.194 25588 9647 1 12 . 1 1 126 126 ARG N N 126 118.300 118.300 119.723 -1.423 25588 9648 1 12 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.047 -0.039 25588 9649 1 12 . 1 1 126 126 ARG C C 126 176.800 176.800 178.282 -1.482 25588 9650 1 12 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.394 -2.294 25588 9651 1 12 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.337 -2.767 25588 9652 1 12 . 1 1 126 126 ARG H H 126 8.168 8.168 7.241 0.927 25588 9653 1 12 . 1 1 127 127 GLU N N 127 116.300 116.300 119.492 -3.192 25588 9654 1 12 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.202 -0.219 25588 9655 1 12 . 1 1 127 127 GLU C C 127 174.700 174.700 177.493 -2.793 25588 9656 1 12 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.271 -2.391 25588 9657 1 12 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.596 -2.655 25588 9658 1 12 . 1 1 127 127 GLU H H 127 7.918 7.918 7.975 -0.057 25588 9659 1 12 . 1 1 128 128 ALA N N 128 119.100 119.100 119.968 -0.868 25588 9660 1 12 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.032 0.386 25588 9661 1 12 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.676 -4.166 25588 9662 1 12 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.838 -0.098 25588 9663 1 12 . 1 1 128 128 ALA H H 128 7.354 7.354 7.635 -0.281 25588 9664 1 12 . 1 1 129 129 ASP N N 129 117.400 117.400 117.637 -0.237 25588 9665 1 12 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.660 -0.158 25588 9666 1 12 . 1 1 129 129 ASP C C 129 173.400 173.400 176.988 -3.588 25588 9667 1 12 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.079 -1.669 25588 9668 1 12 . 1 1 129 129 ASP CB C 129 37.700 37.700 41.911 -4.211 25588 9669 1 12 . 1 1 129 129 ASP H H 129 7.871 7.871 7.671 0.200 25588 9670 1 12 . 1 1 130 130 ILE N N 130 128.000 128.000 121.367 6.633 25588 9671 1 12 . 1 1 130 130 ILE HA H 130 3.917 3.917 3.952 -0.035 25588 9672 1 12 . 1 1 130 130 ILE C C 130 175.300 175.300 176.430 -1.130 25588 9673 1 12 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.429 -1.719 25588 9674 1 12 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.461 -1.651 25588 9675 1 12 . 1 1 130 130 ILE H H 130 8.384 8.384 8.487 -0.103 25588 9676 1 12 . 1 1 131 131 ASP N N 131 116.800 116.800 121.895 -5.095 25588 9677 1 12 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.518 0.032 25588 9678 1 12 . 1 1 131 131 ASP C C 131 175.600 175.600 177.562 -1.962 25588 9679 1 12 . 1 1 131 131 ASP CA C 131 51.220 51.220 55.854 -4.634 25588 9680 1 12 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.142 -3.912 25588 9681 1 12 . 1 1 131 131 ASP H H 131 8.281 8.281 7.845 0.436 25588 9682 1 12 . 1 1 132 132 GLY N N 132 108.500 108.500 106.700 1.800 25588 9683 1 12 . 1 1 132 132 GLY C C 132 172.600 172.600 174.872 -2.272 25588 9684 1 12 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.095 -1.245 25588 9685 1 12 . 1 1 132 132 GLY H H 132 7.575 7.575 8.856 -1.281 25588 9686 1 12 . 1 1 133 133 ASP N N 133 120.800 120.800 119.241 1.559 25588 9687 1 12 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.586 -0.122 25588 9688 1 12 . 1 1 133 133 ASP C C 133 174.900 174.900 177.152 -2.252 25588 9689 1 12 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.079 -2.089 25588 9690 1 12 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.660 -3.070 25588 9691 1 12 . 1 1 133 133 ASP H H 133 8.326 8.326 8.007 0.319 25588 9692 1 12 . 1 1 134 134 GLY N N 134 112.900 112.900 109.094 3.806 25588 9693 1 12 . 1 1 134 134 GLY C C 134 170.200 170.200 172.845 -2.645 25588 9694 1 12 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.437 -2.387 25588 9695 1 12 . 1 1 134 134 GLY H H 134 10.310 10.310 7.748 2.562 25588 9696 1 12 . 1 1 135 135 GLN N N 135 115.400 115.400 120.845 -5.445 25588 9697 1 12 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.752 0.108 25588 9698 1 12 . 1 1 135 135 GLN C C 135 172.100 172.100 173.623 -1.523 25588 9699 1 12 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.415 -3.885 25588 9700 1 12 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.939 -2.919 25588 9701 1 12 . 1 1 135 135 GLN H H 135 7.937 7.937 8.108 -0.171 25588 9702 1 12 . 1 1 136 136 VAL N N 136 125.500 125.500 121.878 3.622 25588 9703 1 12 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.604 0.586 25588 9704 1 12 . 1 1 136 136 VAL C C 136 173.200 173.200 174.596 -1.396 25588 9705 1 12 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.748 -1.648 25588 9706 1 12 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.750 -3.830 25588 9707 1 12 . 1 1 136 136 VAL H H 136 9.112 9.112 8.595 0.517 25588 9708 1 12 . 1 1 137 137 ASN N N 137 129.000 129.000 122.970 6.030 25588 9709 1 12 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.279 -0.047 25588 9710 1 12 . 1 1 137 137 ASN C C 137 172.200 172.200 174.833 -2.633 25588 9711 1 12 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.908 -3.448 25588 9712 1 12 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.779 -6.089 25588 9713 1 12 . 1 1 137 137 ASN H H 137 9.509 9.509 7.877 1.632 25588 9714 1 12 . 1 1 138 138 TYR N N 138 118.400 118.400 122.867 -4.467 25588 9715 1 12 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.405 -0.981 25588 9716 1 12 . 1 1 138 138 TYR C C 138 173.500 173.500 177.224 -3.724 25588 9717 1 12 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.583 -2.553 25588 9718 1 12 . 1 1 138 138 TYR H H 138 8.420 8.420 9.232 -0.812 25588 9719 1 12 . 1 1 139 139 GLU N N 139 118.400 118.400 118.177 0.223 25588 9720 1 12 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.746 -0.105 25588 9721 1 12 . 1 1 139 139 GLU C C 139 177.900 177.900 178.992 -1.092 25588 9722 1 12 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.137 -2.397 25588 9723 1 12 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.619 -2.229 25588 9724 1 12 . 1 1 139 139 GLU H H 139 8.066 8.066 8.969 -0.903 25588 9725 1 12 . 1 1 140 140 GLU N N 140 119.900 119.900 119.102 0.798 25588 9726 1 12 . 1 1 140 140 GLU C C 140 176.700 176.700 178.702 -2.002 25588 9727 1 12 . 1 1 140 140 GLU CA C 140 55.900 55.900 59.068 -3.168 25588 9728 1 12 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.131 -1.931 25588 9729 1 12 . 1 1 140 140 GLU H H 140 8.728 8.728 8.312 0.416 25588 9730 1 12 . 1 1 141 141 PHE N N 141 124.600 124.600 119.710 4.890 25588 9731 1 12 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.124 -0.140 25588 9732 1 12 . 1 1 141 141 PHE C C 141 174.200 174.200 177.688 -3.488 25588 9733 1 12 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.056 -3.096 25588 9734 1 12 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.509 -1.239 25588 9735 1 12 . 1 1 141 141 PHE H H 141 8.920 8.920 7.753 1.167 25588 9736 1 12 . 1 1 142 142 VAL N N 142 119.300 119.300 117.688 1.612 25588 9737 1 12 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.523 -0.402 25588 9738 1 12 . 1 1 142 142 VAL C C 142 176.900 176.900 177.236 -0.336 25588 9739 1 12 . 1 1 142 142 VAL CA C 142 64.430 64.430 65.963 -1.533 25588 9740 1 12 . 1 1 142 142 VAL H H 142 8.536 8.536 7.377 1.159 25588 9741 1 12 . 1 1 143 143 GLN N N 143 118.200 118.200 116.483 1.717 25588 9742 1 12 . 1 1 143 143 GLN HA H 143 3.851 3.851 3.999 -0.148 25588 9743 1 12 . 1 1 143 143 GLN C C 143 175.300 175.300 177.555 -2.255 25588 9744 1 12 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.476 -1.216 25588 9745 1 12 . 1 1 143 143 GLN H H 143 7.404 7.404 7.242 0.162 25588 9746 1 12 . 1 1 144 144 MET N N 144 119.400 119.400 117.492 1.908 25588 9747 1 12 . 1 1 144 144 MET HA H 144 4.107 4.107 4.108 -0.001 25588 9748 1 12 . 1 1 144 144 MET C C 144 175.400 175.400 176.682 -1.282 25588 9749 1 12 . 1 1 144 144 MET CA C 144 55.500 55.500 58.037 -2.537 25588 9750 1 12 . 1 1 144 144 MET CB C 144 30.460 30.460 33.362 -2.902 25588 9751 1 12 . 1 1 144 144 MET H H 144 7.878 7.878 7.769 0.109 25588 9752 1 12 . 1 1 145 145 MET N N 145 115.000 115.000 116.922 -1.922 25588 9753 1 12 . 1 1 145 145 MET HA H 145 4.281 4.281 4.583 -0.302 25588 9754 1 12 . 1 1 145 145 MET C C 145 174.900 174.900 174.569 0.331 25588 9755 1 12 . 1 1 145 145 MET CA C 145 52.740 52.740 55.657 -2.917 25588 9756 1 12 . 1 1 145 145 MET H H 145 7.852 7.852 7.521 0.331 25588 9757 1 12 . 1 1 146 146 THR N N 146 111.100 111.100 115.948 -4.848 25588 9758 1 12 . 1 1 146 146 THR HA H 146 4.306 4.306 4.474 -0.168 25588 9759 1 12 . 1 1 146 146 THR C C 146 171.600 171.600 173.861 -2.261 25588 9760 1 12 . 1 1 146 146 THR CA C 146 59.830 59.830 61.973 -2.143 25588 9761 1 12 . 1 1 146 146 THR CB C 146 67.510 67.510 68.773 -1.263 25588 9762 1 12 . 1 1 146 146 THR H H 146 7.571 7.571 8.217 -0.646 25588 9763 1 12 . 1 1 147 147 ALA N N 147 126.300 126.300 125.810 0.490 25588 9764 1 12 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.091 0.209 25588 9765 1 12 . 1 1 147 147 ALA C C 147 174.000 174.000 177.005 -3.005 25588 9766 1 12 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.115 -3.925 25588 9767 1 12 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.466 -2.986 25588 9768 1 12 . 1 1 147 147 ALA H H 147 7.723 7.723 7.885 -0.162 25588 9769 1 13 . 1 1 2 2 ASP N N 2 118.400 118.400 121.041 -2.641 25588 9770 1 13 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.725 -0.111 25588 9771 1 13 . 1 1 2 2 ASP C C 2 173.000 173.000 176.210 -3.210 25588 9772 1 13 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.041 -2.022 25588 9773 1 13 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.443 -2.623 25588 9774 1 13 . 1 1 2 2 ASP H H 2 8.311 8.311 8.309 0.002 25588 9775 1 13 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.175 0.179 25588 9776 1 13 . 1 1 3 3 GLN C C 3 173.000 173.000 175.488 -2.488 25588 9777 1 13 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.523 -3.613 25588 9778 1 13 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.540 -2.390 25588 9779 1 13 . 1 1 3 3 GLN H H 3 8.321 8.321 8.678 -0.357 25588 9780 1 13 . 1 1 4 4 LEU N N 4 123.200 123.200 120.662 2.538 25588 9781 1 13 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.673 -0.023 25588 9782 1 13 . 1 1 4 4 LEU C C 4 175.100 175.100 175.197 -0.097 25588 9783 1 13 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.354 -2.564 25588 9784 1 13 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.601 -2.741 25588 9785 1 13 . 1 1 4 4 LEU H H 4 8.268 8.268 8.541 -0.273 25588 9786 1 13 . 1 1 5 5 THR N N 5 113.000 113.000 115.391 -2.391 25588 9787 1 13 . 1 1 5 5 THR HA H 5 4.754 4.754 4.569 0.185 25588 9788 1 13 . 1 1 5 5 THR C C 5 172.800 172.800 174.809 -2.009 25588 9789 1 13 . 1 1 5 5 THR CA C 5 57.880 57.880 60.137 -2.257 25588 9790 1 13 . 1 1 5 5 THR CB C 5 68.480 68.480 71.722 -3.241 25588 9791 1 13 . 1 1 5 5 THR H H 5 8.682 8.682 8.084 0.598 25588 9792 1 13 . 1 1 6 6 GLU N N 6 120.500 120.500 122.465 -1.965 25588 9793 1 13 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.001 -0.038 25588 9794 1 13 . 1 1 6 6 GLU C C 6 176.800 176.800 177.869 -1.069 25588 9795 1 13 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.219 -1.789 25588 9796 1 13 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.428 -2.908 25588 9797 1 13 . 1 1 6 6 GLU H H 6 8.990 8.990 9.009 -0.019 25588 9798 1 13 . 1 1 7 7 GLU N N 7 119.600 119.600 118.924 0.676 25588 9799 1 13 . 1 1 7 7 GLU HA H 7 4.069 4.069 3.989 0.080 25588 9800 1 13 . 1 1 7 7 GLU C C 7 176.500 176.500 179.031 -2.531 25588 9801 1 13 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.603 -2.223 25588 9802 1 13 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.256 -2.826 25588 9803 1 13 . 1 1 7 7 GLU H H 7 8.668 8.668 8.712 -0.044 25588 9804 1 13 . 1 1 8 8 GLN N N 8 120.100 120.100 118.091 2.009 25588 9805 1 13 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.152 -0.283 25588 9806 1 13 . 1 1 8 8 GLN C C 8 175.700 175.700 178.847 -3.147 25588 9807 1 13 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.584 -2.634 25588 9808 1 13 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.757 -1.947 25588 9809 1 13 . 1 1 8 8 GLN H H 8 7.721 7.721 7.649 0.072 25588 9810 1 13 . 1 1 9 9 ILE N N 9 119.600 119.600 119.908 -0.308 25588 9811 1 13 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.670 0.042 25588 9812 1 13 . 1 1 9 9 ILE C C 9 175.100 175.100 177.987 -2.887 25588 9813 1 13 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.560 -1.030 25588 9814 1 13 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.828 -2.748 25588 9815 1 13 . 1 1 9 9 ILE H H 9 8.373 8.373 7.400 0.973 25588 9816 1 13 . 1 1 10 10 ALA N N 10 121.300 121.300 122.770 -1.470 25588 9817 1 13 . 1 1 10 10 ALA C C 10 178.400 178.400 179.309 -0.909 25588 9818 1 13 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.530 -2.740 25588 9819 1 13 . 1 1 10 10 ALA CB C 10 15.360 15.360 18.018 -2.658 25588 9820 1 13 . 1 1 10 10 ALA H H 10 7.984 7.984 8.602 -0.618 25588 9821 1 13 . 1 1 11 11 GLU N N 11 119.500 119.500 118.990 0.510 25588 9822 1 13 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.913 0.234 25588 9823 1 13 . 1 1 11 11 GLU C C 11 177.900 177.900 179.213 -1.313 25588 9824 1 13 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.340 -2.670 25588 9825 1 13 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.404 -2.904 25588 9826 1 13 . 1 1 11 11 GLU H H 11 7.779 7.779 7.995 -0.216 25588 9827 1 13 . 1 1 12 12 PHE N N 12 120.200 120.200 117.460 2.740 25588 9828 1 13 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.366 0.654 25588 9829 1 13 . 1 1 12 12 PHE C C 12 176.100 176.100 178.031 -1.931 25588 9830 1 13 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.134 -4.524 25588 9831 1 13 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.744 -3.464 25588 9832 1 13 . 1 1 12 12 PHE H H 12 8.562 8.562 8.175 0.387 25588 9833 1 13 . 1 1 13 13 LYS N N 13 123.500 123.500 120.088 3.412 25588 9834 1 13 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.188 -0.199 25588 9835 1 13 . 1 1 13 13 LYS C C 13 176.700 176.700 179.715 -3.015 25588 9836 1 13 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.524 -2.004 25588 9837 1 13 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.249 -2.939 25588 9838 1 13 . 1 1 13 13 LYS H H 13 9.161 9.161 7.802 1.359 25588 9839 1 13 . 1 1 14 14 GLU N N 14 120.400 120.400 119.098 1.302 25588 9840 1 13 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.201 -0.076 25588 9841 1 13 . 1 1 14 14 GLU C C 14 176.800 176.800 178.905 -2.105 25588 9842 1 13 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.857 -2.127 25588 9843 1 13 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.377 -2.777 25588 9844 1 13 . 1 1 14 14 GLU H H 14 7.786 7.786 8.585 -0.799 25588 9845 1 13 . 1 1 15 15 ALA N N 15 122.600 122.600 121.641 0.959 25588 9846 1 13 . 1 1 15 15 ALA HA H 15 4.283 4.283 4.045 0.238 25588 9847 1 13 . 1 1 15 15 ALA C C 15 176.400 176.400 179.007 -2.607 25588 9848 1 13 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.475 -1.885 25588 9849 1 13 . 1 1 15 15 ALA CB C 15 15.540 15.540 17.962 -2.422 25588 9850 1 13 . 1 1 15 15 ALA H H 15 7.981 7.981 8.038 -0.057 25588 9851 1 13 . 1 1 16 16 PHE N N 16 119.400 119.400 119.381 0.019 25588 9852 1 13 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.380 -1.174 25588 9853 1 13 . 1 1 16 16 PHE C C 16 174.600 174.600 177.255 -2.655 25588 9854 1 13 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.609 -2.249 25588 9855 1 13 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.235 -2.195 25588 9856 1 13 . 1 1 16 16 PHE H H 16 8.796 8.796 7.815 0.981 25588 9857 1 13 . 1 1 17 17 SER N N 17 112.600 112.600 114.180 -1.580 25588 9858 1 13 . 1 1 17 17 SER HA H 17 4.028 4.028 4.525 -0.497 25588 9859 1 13 . 1 1 17 17 SER C C 17 172.400 172.400 176.326 -3.926 25588 9860 1 13 . 1 1 17 17 SER CA C 17 58.820 58.820 60.956 -2.136 25588 9861 1 13 . 1 1 17 17 SER CB C 17 60.680 60.680 62.819 -2.139 25588 9862 1 13 . 1 1 17 17 SER H H 17 7.898 7.898 8.070 -0.172 25588 9863 1 13 . 1 1 18 18 LEU N N 18 121.000 121.000 123.779 -2.779 25588 9864 1 13 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.998 -0.003 25588 9865 1 13 . 1 1 18 18 LEU C C 18 175.300 175.300 177.926 -2.626 25588 9866 1 13 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.625 -3.135 25588 9867 1 13 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.548 -2.678 25588 9868 1 13 . 1 1 18 18 LEU H H 18 7.426 7.426 7.173 0.253 25588 9869 1 13 . 1 1 19 19 PHE N N 19 115.200 115.200 115.817 -0.617 25588 9870 1 13 . 1 1 19 19 PHE C C 19 174.100 174.100 178.171 -4.071 25588 9871 1 13 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.748 -5.108 25588 9872 1 13 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.331 -0.081 25588 9873 1 13 . 1 1 19 19 PHE H H 19 7.309 7.309 7.742 -0.433 25588 9874 1 13 . 1 1 20 20 ASP N N 20 117.700 117.700 118.314 -0.614 25588 9875 1 13 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.656 -0.116 25588 9876 1 13 . 1 1 20 20 ASP C C 20 174.500 174.500 178.055 -3.555 25588 9877 1 13 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.431 -4.711 25588 9878 1 13 . 1 1 20 20 ASP CB C 20 36.200 36.200 41.211 -5.011 25588 9879 1 13 . 1 1 20 20 ASP H H 20 7.814 7.814 7.882 -0.068 25588 9880 1 13 . 1 1 21 21 LYS N N 21 124.400 124.400 119.367 5.033 25588 9881 1 13 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.923 0.031 25588 9882 1 13 . 1 1 21 21 LYS C C 21 175.500 175.500 177.531 -2.031 25588 9883 1 13 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.157 -3.267 25588 9884 1 13 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.333 -2.273 25588 9885 1 13 . 1 1 21 21 LYS H H 21 7.652 7.652 7.912 -0.260 25588 9886 1 13 . 1 1 22 22 ASP N N 22 113.900 113.900 116.684 -2.784 25588 9887 1 13 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.391 0.194 25588 9888 1 13 . 1 1 22 22 ASP C C 22 175.000 175.000 176.985 -1.985 25588 9889 1 13 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.559 -5.429 25588 9890 1 13 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.955 -4.045 25588 9891 1 13 . 1 1 22 22 ASP H H 22 8.056 8.056 7.924 0.132 25588 9892 1 13 . 1 1 23 23 GLY N N 23 109.200 109.200 108.972 0.228 25588 9893 1 13 . 1 1 23 23 GLY C C 23 172.300 172.300 173.760 -1.460 25588 9894 1 13 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.409 0.181 25588 9895 1 13 . 1 1 23 23 GLY H H 23 7.660 7.660 7.687 -0.027 25588 9896 1 13 . 1 1 24 24 ASP N N 24 118.600 118.600 118.782 -0.182 25588 9897 1 13 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.522 0.095 25588 9898 1 13 . 1 1 24 24 ASP C C 24 174.200 174.200 176.221 -2.021 25588 9899 1 13 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.669 -5.699 25588 9900 1 13 . 1 1 24 24 ASP CB C 24 35.090 35.090 40.904 -5.814 25588 9901 1 13 . 1 1 24 24 ASP H H 24 8.052 8.052 8.438 -0.386 25588 9902 1 13 . 1 1 25 25 GLY N N 25 113.400 113.400 108.767 4.633 25588 9903 1 13 . 1 1 25 25 GLY C C 25 170.600 170.600 173.057 -2.457 25588 9904 1 13 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.260 -2.100 25588 9905 1 13 . 1 1 25 25 GLY H H 25 10.570 10.570 7.883 2.687 25588 9906 1 13 . 1 1 26 26 THR N N 26 109.100 109.100 116.630 -7.530 25588 9907 1 13 . 1 1 26 26 THR HA H 26 5.271 5.271 4.443 0.828 25588 9908 1 13 . 1 1 26 26 THR C C 26 170.200 170.200 172.603 -2.403 25588 9909 1 13 . 1 1 26 26 THR CA C 26 57.170 57.170 62.118 -4.948 25588 9910 1 13 . 1 1 26 26 THR CB C 26 69.920 69.920 72.627 -2.707 25588 9911 1 13 . 1 1 26 26 THR H H 26 7.661 7.661 8.106 -0.445 25588 9912 1 13 . 1 1 27 27 ILE N N 27 127.100 127.100 124.779 2.321 25588 9913 1 13 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.625 0.346 25588 9914 1 13 . 1 1 27 27 ILE C C 27 173.400 173.400 175.296 -1.896 25588 9915 1 13 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.002 -2.182 25588 9916 1 13 . 1 1 27 27 ILE CB C 27 36.720 36.720 38.068 -1.348 25588 9917 1 13 . 1 1 27 27 ILE H H 27 9.766 9.766 8.168 1.598 25588 9918 1 13 . 1 1 28 28 THR N N 28 116.500 116.500 114.441 2.059 25588 9919 1 13 . 1 1 28 28 THR HA H 28 4.802 4.802 4.632 0.170 25588 9920 1 13 . 1 1 28 28 THR C C 28 173.900 173.900 176.311 -2.411 25588 9921 1 13 . 1 1 28 28 THR CA C 28 56.980 56.980 60.406 -3.426 25588 9922 1 13 . 1 1 28 28 THR CB C 28 69.730 69.730 71.247 -1.517 25588 9923 1 13 . 1 1 28 28 THR H H 28 8.458 8.458 7.988 0.470 25588 9924 1 13 . 1 1 29 29 THR N N 29 112.900 112.900 114.263 -1.363 25588 9925 1 13 . 1 1 29 29 THR HA H 29 4.169 4.169 4.045 0.124 25588 9926 1 13 . 1 1 29 29 THR C C 29 174.500 174.500 176.590 -2.090 25588 9927 1 13 . 1 1 29 29 THR CA C 29 63.940 63.940 66.108 -2.168 25588 9928 1 13 . 1 1 29 29 THR CB C 29 65.170 65.170 68.718 -3.548 25588 9929 1 13 . 1 1 29 29 THR H H 29 9.066 9.066 8.569 0.497 25588 9930 1 13 . 1 1 30 30 LYS N N 30 120.800 120.800 121.308 -0.508 25588 9931 1 13 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.955 0.156 25588 9932 1 13 . 1 1 30 30 LYS C C 30 177.200 177.200 178.859 -1.659 25588 9933 1 13 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.731 -3.201 25588 9934 1 13 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.053 -2.093 25588 9935 1 13 . 1 1 30 30 LYS H H 30 7.664 7.664 7.734 -0.070 25588 9936 1 13 . 1 1 31 31 GLU N N 31 121.400 121.400 118.995 2.405 25588 9937 1 13 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.979 0.086 25588 9938 1 13 . 1 1 31 31 GLU C C 31 176.500 176.500 179.001 -2.501 25588 9939 1 13 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.895 -2.315 25588 9940 1 13 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.599 -2.439 25588 9941 1 13 . 1 1 31 31 GLU H H 31 7.635 7.635 7.452 0.183 25588 9942 1 13 . 1 1 32 32 LEU N N 32 120.600 120.600 121.163 -0.563 25588 9943 1 13 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.176 -0.094 25588 9944 1 13 . 1 1 32 32 LEU C C 32 176.300 176.300 178.322 -2.022 25588 9945 1 13 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.351 -1.941 25588 9946 1 13 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.852 -1.882 25588 9947 1 13 . 1 1 32 32 LEU H H 32 8.699 8.699 7.401 1.298 25588 9948 1 13 . 1 1 33 33 GLY N N 33 105.600 105.600 104.240 1.360 25588 9949 1 13 . 1 1 33 33 GLY C C 33 172.500 172.500 176.373 -3.873 25588 9950 1 13 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.613 -1.893 25588 9951 1 13 . 1 1 33 33 GLY H H 33 8.616 8.616 8.499 0.117 25588 9952 1 13 . 1 1 34 34 THR N N 34 118.000 118.000 118.846 -0.846 25588 9953 1 13 . 1 1 34 34 THR HA H 34 3.913 3.913 3.967 -0.054 25588 9954 1 13 . 1 1 34 34 THR C C 34 174.500 174.500 176.254 -1.754 25588 9955 1 13 . 1 1 34 34 THR CA C 34 64.250 64.250 66.506 -2.256 25588 9956 1 13 . 1 1 34 34 THR CB C 34 66.100 66.100 68.459 -2.359 25588 9957 1 13 . 1 1 34 34 THR H H 34 7.867 7.867 7.271 0.596 25588 9958 1 13 . 1 1 35 35 VAL N N 35 122.100 122.100 121.361 0.739 25588 9959 1 13 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.622 -0.164 25588 9960 1 13 . 1 1 35 35 VAL C C 35 176.500 176.500 177.133 -0.633 25588 9961 1 13 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.397 -1.767 25588 9962 1 13 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.823 -2.703 25588 9963 1 13 . 1 1 35 35 VAL H H 35 7.613 7.613 7.340 0.273 25588 9964 1 13 . 1 1 36 36 MET N N 36 118.400 118.400 117.738 0.662 25588 9965 1 13 . 1 1 36 36 MET HA H 36 4.095 4.095 4.004 0.091 25588 9966 1 13 . 1 1 36 36 MET C C 36 176.500 176.500 178.258 -1.758 25588 9967 1 13 . 1 1 36 36 MET CA C 36 56.420 56.420 57.914 -1.494 25588 9968 1 13 . 1 1 36 36 MET H H 36 8.440 8.440 7.396 1.044 25588 9969 1 13 . 1 1 37 37 ARG N N 37 119.000 119.000 119.064 -0.064 25588 9970 1 13 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.032 0.769 25588 9971 1 13 . 1 1 37 37 ARG C C 37 178.500 178.500 179.169 -0.669 25588 9972 1 13 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.403 -2.983 25588 9973 1 13 . 1 1 37 37 ARG H H 37 8.474 8.474 8.035 0.439 25588 9974 1 13 . 1 1 38 38 SER N N 38 118.800 118.800 115.357 3.443 25588 9975 1 13 . 1 1 38 38 SER HA H 38 4.380 4.380 4.226 0.154 25588 9976 1 13 . 1 1 38 38 SER C C 38 172.200 172.200 176.067 -3.867 25588 9977 1 13 . 1 1 38 38 SER CA C 38 58.930 58.930 60.768 -1.838 25588 9978 1 13 . 1 1 38 38 SER CB C 38 60.200 60.200 62.875 -2.675 25588 9979 1 13 . 1 1 38 38 SER H H 38 7.899 7.899 8.022 -0.123 25588 9980 1 13 . 1 1 39 39 LEU N N 39 120.600 120.600 120.348 0.252 25588 9981 1 13 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.439 0.056 25588 9982 1 13 . 1 1 39 39 LEU C C 39 174.800 174.800 176.585 -1.785 25588 9983 1 13 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.141 -2.211 25588 9984 1 13 . 1 1 39 39 LEU H H 39 7.364 7.364 7.347 0.017 25588 9985 1 13 . 1 1 40 40 GLY N N 40 106.800 106.800 108.183 -1.383 25588 9986 1 13 . 1 1 40 40 GLY C C 40 171.700 171.700 174.174 -2.474 25588 9987 1 13 . 1 1 40 40 GLY CA C 40 42.970 42.970 45.577 -2.607 25588 9988 1 13 . 1 1 40 40 GLY H H 40 7.862 7.862 7.804 0.058 25588 9989 1 13 . 1 1 41 41 GLN N N 41 118.400 118.400 120.640 -2.240 25588 9990 1 13 . 1 1 41 41 GLN HA H 41 4.480 4.480 3.776 0.704 25588 9991 1 13 . 1 1 41 41 GLN C C 41 171.400 171.400 173.933 -2.533 25588 9992 1 13 . 1 1 41 41 GLN CA C 41 51.890 51.890 56.640 -4.750 25588 9993 1 13 . 1 1 41 41 GLN CB C 41 28.080 28.080 28.365 -0.285 25588 9994 1 13 . 1 1 41 41 GLN H H 41 7.788 7.788 8.077 -0.289 25588 9995 1 13 . 1 1 42 42 ASN N N 42 116.300 116.300 120.642 -4.342 25588 9996 1 13 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.292 -0.099 25588 9997 1 13 . 1 1 42 42 ASN CA C 42 48.620 48.620 50.298 -1.678 25588 9998 1 13 . 1 1 42 42 ASN H H 42 8.665 8.665 8.711 -0.046 25588 9999 1 13 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.048 0.687 25588 10000 1 13 . 1 1 43 43 PRO C C 43 175.100 175.100 178.344 -3.244 25588 10001 1 13 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.589 -5.809 25588 10002 1 13 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.797 -2.407 25588 10003 1 13 . 1 1 44 44 THR N N 44 112.900 112.900 113.308 -0.408 25588 10004 1 13 . 1 1 44 44 THR HA H 44 4.707 4.707 3.916 0.791 25588 10005 1 13 . 1 1 44 44 THR C C 44 172.600 172.600 176.669 -4.069 25588 10006 1 13 . 1 1 44 44 THR CA C 44 57.830 57.830 66.276 -8.447 25588 10007 1 13 . 1 1 44 44 THR CB C 44 68.490 68.490 68.510 -0.020 25588 10008 1 13 . 1 1 44 44 THR H H 44 8.702 8.702 7.842 0.860 25588 10009 1 13 . 1 1 45 45 GLU N N 45 120.800 120.800 120.038 0.762 25588 10010 1 13 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.294 -0.319 25588 10011 1 13 . 1 1 45 45 GLU C C 45 176.300 176.300 178.303 -2.003 25588 10012 1 13 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.114 -0.654 25588 10013 1 13 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.621 -3.201 25588 10014 1 13 . 1 1 45 45 GLU H H 45 8.789 8.789 8.400 0.389 25588 10015 1 13 . 1 1 46 46 ALA N N 46 120.700 120.700 124.334 -3.634 25588 10016 1 13 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.008 0.081 25588 10017 1 13 . 1 1 46 46 ALA C C 46 177.700 177.700 179.489 -1.789 25588 10018 1 13 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.478 -3.068 25588 10019 1 13 . 1 1 46 46 ALA CB C 46 15.650 15.650 18.019 -2.369 25588 10020 1 13 . 1 1 46 46 ALA H H 46 8.241 8.241 8.406 -0.165 25588 10021 1 13 . 1 1 47 47 GLU N N 47 118.900 118.900 117.998 0.902 25588 10022 1 13 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.142 -0.140 25588 10023 1 13 . 1 1 47 47 GLU C C 47 177.500 177.500 179.241 -1.741 25588 10024 1 13 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.799 -2.389 25588 10025 1 13 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.620 -2.560 25588 10026 1 13 . 1 1 47 47 GLU H H 47 7.682 7.682 7.718 -0.036 25588 10027 1 13 . 1 1 48 48 LEU N N 48 120.600 120.600 120.226 0.374 25588 10028 1 13 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.008 0.053 25588 10029 1 13 . 1 1 48 48 LEU C C 48 175.900 175.900 178.768 -2.868 25588 10030 1 13 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.009 -1.739 25588 10031 1 13 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.623 -1.883 25588 10032 1 13 . 1 1 48 48 LEU H H 48 8.169 8.169 7.446 0.723 25588 10033 1 13 . 1 1 49 49 GLN N N 49 118.200 118.200 119.582 -1.382 25588 10034 1 13 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.799 0.028 25588 10035 1 13 . 1 1 49 49 GLN C C 49 175.900 175.900 177.817 -1.917 25588 10036 1 13 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.489 -3.519 25588 10037 1 13 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.873 -2.353 25588 10038 1 13 . 1 1 49 49 GLN H H 49 8.179 8.179 8.548 -0.369 25588 10039 1 13 . 1 1 50 50 ASP N N 50 119.900 119.900 118.990 0.910 25588 10040 1 13 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.434 -0.051 25588 10041 1 13 . 1 1 50 50 ASP C C 50 175.900 175.900 178.173 -2.273 25588 10042 1 13 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.597 -1.647 25588 10043 1 13 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.582 -2.792 25588 10044 1 13 . 1 1 50 50 ASP H H 50 8.037 8.037 7.679 0.358 25588 10045 1 13 . 1 1 51 51 MET N N 51 119.300 119.300 120.455 -1.155 25588 10046 1 13 . 1 1 51 51 MET HA H 51 4.028 4.028 4.092 -0.064 25588 10047 1 13 . 1 1 51 51 MET C C 51 176.200 176.200 178.242 -2.042 25588 10048 1 13 . 1 1 51 51 MET CA C 51 56.710 56.710 59.106 -2.397 25588 10049 1 13 . 1 1 51 51 MET CB C 51 30.570 30.570 32.693 -2.123 25588 10050 1 13 . 1 1 51 51 MET H H 51 7.855 7.855 7.247 0.608 25588 10051 1 13 . 1 1 52 52 ILE N N 52 118.200 118.200 119.661 -1.461 25588 10052 1 13 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.509 -0.020 25588 10053 1 13 . 1 1 52 52 ILE C C 52 175.100 175.100 177.891 -2.791 25588 10054 1 13 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.808 -3.588 25588 10055 1 13 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.707 1.623 25588 10056 1 13 . 1 1 52 52 ILE H H 52 7.701 7.701 8.837 -1.136 25588 10057 1 13 . 1 1 53 53 ASN N N 53 117.700 117.700 117.755 -0.055 25588 10058 1 13 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.347 0.014 25588 10059 1 13 . 1 1 53 53 ASN C C 53 174.800 174.800 177.501 -2.701 25588 10060 1 13 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.947 -3.657 25588 10061 1 13 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.176 -2.736 25588 10062 1 13 . 1 1 53 53 ASN H H 53 8.529 8.529 7.859 0.670 25588 10063 1 13 . 1 1 54 54 GLU N N 54 116.400 116.400 120.074 -3.674 25588 10064 1 13 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.983 0.038 25588 10065 1 13 . 1 1 54 54 GLU C C 54 175.000 175.000 177.901 -2.901 25588 10066 1 13 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.294 -3.054 25588 10067 1 13 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.857 -2.027 25588 10068 1 13 . 1 1 54 54 GLU H H 54 7.573 7.573 7.723 -0.150 25588 10069 1 13 . 1 1 55 55 VAL N N 55 108.400 108.400 116.843 -8.443 25588 10070 1 13 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.885 0.561 25588 10071 1 13 . 1 1 55 55 VAL C C 55 173.100 173.100 177.944 -4.844 25588 10072 1 13 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.221 -7.131 25588 10073 1 13 . 1 1 55 55 VAL H H 55 7.204 7.204 7.768 -0.564 25588 10074 1 13 . 1 1 56 56 ASP N N 56 126.900 126.900 119.659 7.241 25588 10075 1 13 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.520 0.118 25588 10076 1 13 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.024 -3.974 25588 10077 1 13 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.792 -3.312 25588 10078 1 13 . 1 1 56 56 ASP H H 56 7.649 7.649 8.559 -0.910 25588 10079 1 13 . 1 1 57 57 ALA N N 57 131.900 131.900 120.901 10.999 25588 10080 1 13 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.186 -0.004 25588 10081 1 13 . 1 1 57 57 ALA C C 57 176.000 176.000 177.889 -1.889 25588 10082 1 13 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.254 -1.564 25588 10083 1 13 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.177 -1.277 25588 10084 1 13 . 1 1 57 57 ALA H H 57 8.458 8.458 7.843 0.615 25588 10085 1 13 . 1 1 58 58 ASP N N 58 113.800 113.800 118.477 -4.677 25588 10086 1 13 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.401 0.210 25588 10087 1 13 . 1 1 58 58 ASP C C 58 175.200 175.200 177.163 -1.963 25588 10088 1 13 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.591 -5.551 25588 10089 1 13 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.688 -3.488 25588 10090 1 13 . 1 1 58 58 ASP H H 58 8.125 8.125 7.583 0.542 25588 10091 1 13 . 1 1 59 59 GLY N N 59 108.400 108.400 105.617 2.783 25588 10092 1 13 . 1 1 59 59 GLY C C 59 172.500 172.500 173.298 -0.798 25588 10093 1 13 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.262 -0.602 25588 10094 1 13 . 1 1 59 59 GLY H H 59 7.550 7.550 7.781 -0.231 25588 10095 1 13 . 1 1 60 60 ASN N N 60 120.600 120.600 117.114 3.486 25588 10096 1 13 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.738 -0.251 25588 10097 1 13 . 1 1 60 60 ASN C C 60 174.800 174.800 174.894 -0.094 25588 10098 1 13 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.576 -1.396 25588 10099 1 13 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.302 -1.462 25588 10100 1 13 . 1 1 60 60 ASN H H 60 8.356 8.356 8.216 0.140 25588 10101 1 13 . 1 1 61 61 GLY N N 61 113.300 113.300 107.327 5.973 25588 10102 1 13 . 1 1 61 61 GLY C C 61 171.100 171.100 173.768 -2.668 25588 10103 1 13 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.891 -3.061 25588 10104 1 13 . 1 1 61 61 GLY H H 61 10.610 10.610 8.744 1.866 25588 10105 1 13 . 1 1 62 62 THR N N 62 112.900 112.900 112.077 0.823 25588 10106 1 13 . 1 1 62 62 THR HA H 62 4.756 4.756 4.536 0.220 25588 10107 1 13 . 1 1 62 62 THR C C 62 170.500 170.500 173.044 -2.544 25588 10108 1 13 . 1 1 62 62 THR CA C 62 57.050 57.050 59.789 -2.740 25588 10109 1 13 . 1 1 62 62 THR CB C 62 69.100 69.100 72.117 -3.017 25588 10110 1 13 . 1 1 62 62 THR H H 62 8.111 8.111 7.712 0.399 25588 10111 1 13 . 1 1 63 63 ILE N N 63 123.900 123.900 123.600 0.300 25588 10112 1 13 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.313 0.839 25588 10113 1 13 . 1 1 63 63 ILE C C 63 172.900 172.900 174.557 -1.657 25588 10114 1 13 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.273 -2.913 25588 10115 1 13 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.560 -4.700 25588 10116 1 13 . 1 1 63 63 ILE H H 63 8.905 8.905 8.141 0.764 25588 10117 1 13 . 1 1 64 64 ASP N N 64 128.200 128.200 125.996 2.204 25588 10118 1 13 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.768 0.574 25588 10119 1 13 . 1 1 64 64 ASP C C 64 173.700 173.700 177.025 -3.325 25588 10120 1 13 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.090 -4.620 25588 10121 1 13 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.742 -2.092 25588 10122 1 13 . 1 1 64 64 ASP H H 64 8.778 8.778 8.331 0.447 25588 10123 1 13 . 1 1 65 65 PHE N N 65 118.700 118.700 120.447 -1.747 25588 10124 1 13 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.791 -2.771 25588 10125 1 13 . 1 1 65 65 PHE H H 65 8.903 8.903 8.959 -0.056 25588 10126 1 13 . 1 1 66 66 PRO C C 66 177.400 177.400 178.884 -1.484 25588 10127 1 13 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.436 -2.476 25588 10128 1 13 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.311 -3.251 25588 10129 1 13 . 1 1 67 67 GLU N N 67 117.600 117.600 117.728 -0.128 25588 10130 1 13 . 1 1 67 67 GLU C C 67 176.100 176.100 178.900 -2.800 25588 10131 1 13 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.309 -3.239 25588 10132 1 13 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.253 -2.503 25588 10133 1 13 . 1 1 67 67 GLU H H 67 7.894 7.894 8.623 -0.729 25588 10134 1 13 . 1 1 68 68 PHE N N 68 123.500 123.500 122.167 1.333 25588 10135 1 13 . 1 1 68 68 PHE C C 68 174.400 174.400 176.936 -2.536 25588 10136 1 13 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.623 -3.013 25588 10137 1 13 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.916 -1.396 25588 10138 1 13 . 1 1 68 68 PHE H H 68 8.826 8.826 8.157 0.669 25588 10139 1 13 . 1 1 69 69 LEU N N 69 119.000 119.000 118.575 0.425 25588 10140 1 13 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.803 -0.469 25588 10141 1 13 . 1 1 69 69 LEU C C 69 176.600 176.600 179.011 -2.411 25588 10142 1 13 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.138 -2.788 25588 10143 1 13 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.571 -3.391 25588 10144 1 13 . 1 1 69 69 LEU H H 69 8.321 8.321 8.487 -0.166 25588 10145 1 13 . 1 1 70 70 THR N N 70 115.500 115.500 115.058 0.442 25588 10146 1 13 . 1 1 70 70 THR HA H 70 4.317 4.317 3.940 0.377 25588 10147 1 13 . 1 1 70 70 THR C C 70 173.400 173.400 176.340 -2.940 25588 10148 1 13 . 1 1 70 70 THR CA C 70 63.720 63.720 66.584 -2.864 25588 10149 1 13 . 1 1 70 70 THR CB C 70 65.630 65.630 68.640 -3.010 25588 10150 1 13 . 1 1 70 70 THR H H 70 7.476 7.476 7.603 -0.127 25588 10151 1 13 . 1 1 71 71 MET N N 71 121.700 121.700 121.580 0.120 25588 10152 1 13 . 1 1 71 71 MET HA H 71 3.758 3.758 3.991 -0.233 25588 10153 1 13 . 1 1 71 71 MET C C 71 175.600 175.600 177.638 -2.038 25588 10154 1 13 . 1 1 71 71 MET CA C 71 56.370 56.370 59.199 -2.829 25588 10155 1 13 . 1 1 71 71 MET CB C 71 30.590 30.590 32.555 -1.965 25588 10156 1 13 . 1 1 71 71 MET H H 71 7.774 7.774 8.516 -0.742 25588 10157 1 13 . 1 1 72 72 MET N N 72 116.900 116.900 117.110 -0.210 25588 10158 1 13 . 1 1 72 72 MET HA H 72 3.993 3.993 3.953 0.040 25588 10159 1 13 . 1 1 72 72 MET C C 72 175.900 175.900 178.271 -2.371 25588 10160 1 13 . 1 1 72 72 MET CA C 72 53.200 53.200 57.407 -4.207 25588 10161 1 13 . 1 1 72 72 MET CB C 72 28.520 28.520 30.958 -2.438 25588 10162 1 13 . 1 1 72 72 MET H H 72 8.082 8.082 7.959 0.123 25588 10163 1 13 . 1 1 73 73 ALA N N 73 122.300 122.300 122.064 0.236 25588 10164 1 13 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.890 0.184 25588 10165 1 13 . 1 1 73 73 ALA C C 73 177.200 177.200 178.994 -1.794 25588 10166 1 13 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.878 -2.908 25588 10167 1 13 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.366 -2.627 25588 10168 1 13 . 1 1 73 73 ALA H H 73 8.149 8.149 7.536 0.613 25588 10169 1 13 . 1 1 74 74 ARG N N 74 116.600 116.600 116.953 -0.353 25588 10170 1 13 . 1 1 74 74 ARG C C 74 175.200 175.200 178.574 -3.374 25588 10171 1 13 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.950 -3.390 25588 10172 1 13 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.291 -2.641 25588 10173 1 13 . 1 1 74 74 ARG H H 74 7.564 7.564 7.481 0.083 25588 10174 1 13 . 1 1 75 75 LYS N N 75 118.800 118.800 117.501 1.299 25588 10175 1 13 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.100 0.095 25588 10176 1 13 . 1 1 75 75 LYS C C 75 175.100 175.100 177.550 -2.450 25588 10177 1 13 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.568 -2.838 25588 10178 1 13 . 1 1 75 75 LYS H H 75 7.668 7.668 7.748 -0.080 25588 10179 1 13 . 1 1 76 76 MET N N 76 118.300 118.300 118.201 0.099 25588 10180 1 13 . 1 1 76 76 MET HA H 76 4.331 4.331 4.436 -0.105 25588 10181 1 13 . 1 1 76 76 MET C C 76 173.900 173.900 174.972 -1.072 25588 10182 1 13 . 1 1 76 76 MET CA C 76 54.010 54.010 54.280 -0.270 25588 10183 1 13 . 1 1 76 76 MET H H 76 7.861 7.861 7.924 -0.063 25588 10184 1 13 . 1 1 77 77 LYS N N 77 120.200 120.200 120.526 -0.326 25588 10185 1 13 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.540 -0.242 25588 10186 1 13 . 1 1 77 77 LYS C C 77 173.800 173.800 175.970 -2.170 25588 10187 1 13 . 1 1 77 77 LYS CA C 77 54.070 54.070 54.643 -0.573 25588 10188 1 13 . 1 1 77 77 LYS CB C 77 30.370 30.370 34.863 -4.493 25588 10189 1 13 . 1 1 77 77 LYS H H 77 7.797 7.797 8.234 -0.437 25588 10190 1 13 . 1 1 78 78 ASP N N 78 121.400 121.400 122.985 -1.585 25588 10191 1 13 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.520 0.153 25588 10192 1 13 . 1 1 78 78 ASP C C 78 173.900 173.900 178.061 -4.161 25588 10193 1 13 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.825 -2.925 25588 10194 1 13 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.567 -3.057 25588 10195 1 13 . 1 1 78 78 ASP H H 78 8.191 8.191 8.530 -0.339 25588 10196 1 13 . 1 1 79 79 THR N N 79 114.600 114.600 111.502 3.098 25588 10197 1 13 . 1 1 79 79 THR HA H 79 4.263 4.263 3.963 0.300 25588 10198 1 13 . 1 1 79 79 THR C C 79 171.900 171.900 175.745 -3.845 25588 10199 1 13 . 1 1 79 79 THR CA C 79 59.510 59.510 65.317 -5.807 25588 10200 1 13 . 1 1 79 79 THR CB C 79 67.090 67.090 68.870 -1.780 25588 10201 1 13 . 1 1 79 79 THR H H 79 8.063 8.063 8.426 -0.363 25588 10202 1 13 . 1 1 80 80 ASP N N 80 123.100 123.100 120.819 2.281 25588 10203 1 13 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.509 0.203 25588 10204 1 13 . 1 1 80 80 ASP C C 80 173.900 173.900 178.151 -4.251 25588 10205 1 13 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.077 -4.177 25588 10206 1 13 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.606 -0.936 25588 10207 1 13 . 1 1 80 80 ASP H H 80 8.423 8.423 8.678 -0.255 25588 10208 1 13 . 1 1 81 81 SER N N 81 116.900 116.900 116.089 0.811 25588 10209 1 13 . 1 1 81 81 SER HA H 81 4.498 4.498 4.145 0.353 25588 10210 1 13 . 1 1 81 81 SER C C 81 172.700 172.700 176.063 -3.363 25588 10211 1 13 . 1 1 81 81 SER CA C 81 56.360 56.360 61.911 -5.551 25588 10212 1 13 . 1 1 81 81 SER CB C 81 61.310 61.310 63.075 -1.765 25588 10213 1 13 . 1 1 81 81 SER H H 81 8.357 8.357 7.974 0.383 25588 10214 1 13 . 1 1 82 82 GLU N N 82 122.800 122.800 122.361 0.439 25588 10215 1 13 . 1 1 82 82 GLU HA H 82 4.128 4.128 4.042 0.086 25588 10216 1 13 . 1 1 82 82 GLU C C 82 175.300 175.300 178.802 -3.502 25588 10217 1 13 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.931 -3.661 25588 10218 1 13 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.511 -2.761 25588 10219 1 13 . 1 1 82 82 GLU H H 82 8.532 8.532 7.938 0.594 25588 10220 1 13 . 1 1 83 83 GLU N N 83 119.400 119.400 117.992 1.408 25588 10221 1 13 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.049 -0.015 25588 10222 1 13 . 1 1 83 83 GLU C C 83 176.000 176.000 179.098 -3.098 25588 10223 1 13 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.971 -1.901 25588 10224 1 13 . 1 1 83 83 GLU H H 83 8.365 8.365 7.762 0.603 25588 10225 1 13 . 1 1 84 84 GLU N N 84 118.700 118.700 119.474 -0.774 25588 10226 1 13 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.130 0.017 25588 10227 1 13 . 1 1 84 84 GLU C C 84 177.000 177.000 179.422 -2.422 25588 10228 1 13 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.708 -2.038 25588 10229 1 13 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.705 -2.905 25588 10230 1 13 . 1 1 84 84 GLU H H 84 8.073 8.073 7.458 0.615 25588 10231 1 13 . 1 1 85 85 ILE N N 85 122.200 122.200 119.753 2.447 25588 10232 1 13 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.773 0.221 25588 10233 1 13 . 1 1 85 85 ILE C C 85 175.300 175.300 177.629 -2.329 25588 10234 1 13 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.140 -2.010 25588 10235 1 13 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.674 -3.174 25588 10236 1 13 . 1 1 85 85 ILE H H 85 8.043 8.043 8.867 -0.824 25588 10237 1 13 . 1 1 86 86 ARG N N 86 121.700 121.700 119.771 1.929 25588 10238 1 13 . 1 1 86 86 ARG C C 86 176.700 176.700 178.857 -2.157 25588 10239 1 13 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.569 -2.208 25588 10240 1 13 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.619 -2.569 25588 10241 1 13 . 1 1 86 86 ARG H H 86 8.415 8.415 7.741 0.674 25588 10242 1 13 . 1 1 87 87 GLU N N 87 118.600 118.600 119.728 -1.128 25588 10243 1 13 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.106 0.003 25588 10244 1 13 . 1 1 87 87 GLU C C 87 175.900 175.900 177.819 -1.919 25588 10245 1 13 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.906 -2.476 25588 10246 1 13 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.282 -2.732 25588 10247 1 13 . 1 1 87 87 GLU H H 87 8.056 8.056 7.792 0.264 25588 10248 1 13 . 1 1 88 88 ALA N N 88 122.000 122.000 120.566 1.434 25588 10249 1 13 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.247 -0.029 25588 10250 1 13 . 1 1 88 88 ALA C C 88 176.600 176.600 178.839 -2.239 25588 10251 1 13 . 1 1 88 88 ALA CA C 88 52.450 52.450 53.710 -1.260 25588 10252 1 13 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.149 -2.849 25588 10253 1 13 . 1 1 88 88 ALA H H 88 7.934 7.934 7.453 0.481 25588 10254 1 13 . 1 1 89 89 PHE N N 89 118.900 118.900 120.975 -2.075 25588 10255 1 13 . 1 1 89 89 PHE HA H 89 3.151 3.151 3.984 -0.833 25588 10256 1 13 . 1 1 89 89 PHE C C 89 173.800 173.800 176.854 -3.054 25588 10257 1 13 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.469 -1.969 25588 10258 1 13 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.711 -2.341 25588 10259 1 13 . 1 1 89 89 PHE H H 89 8.537 8.537 7.818 0.719 25588 10260 1 13 . 1 1 90 90 ARG N N 90 115.600 115.600 118.506 -2.906 25588 10261 1 13 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.553 0.311 25588 10262 1 13 . 1 1 90 90 ARG C C 90 175.500 175.500 177.990 -2.490 25588 10263 1 13 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.145 -3.035 25588 10264 1 13 . 1 1 90 90 ARG CB C 90 27.650 27.650 29.928 -2.278 25588 10265 1 13 . 1 1 90 90 ARG H H 90 7.656 7.656 7.894 -0.238 25588 10266 1 13 . 1 1 91 91 VAL N N 91 118.300 118.300 118.204 0.096 25588 10267 1 13 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.683 -0.196 25588 10268 1 13 . 1 1 91 91 VAL C C 91 174.700 174.700 178.187 -3.487 25588 10269 1 13 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.638 -2.628 25588 10270 1 13 . 1 1 91 91 VAL H H 91 7.496 7.496 7.631 -0.135 25588 10271 1 13 . 1 1 92 92 PHE N N 92 116.300 116.300 119.159 -2.859 25588 10272 1 13 . 1 1 92 92 PHE C C 92 174.300 174.300 175.946 -1.646 25588 10273 1 13 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.454 -3.044 25588 10274 1 13 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.668 -2.048 25588 10275 1 13 . 1 1 92 92 PHE H H 92 7.460 7.460 8.442 -0.982 25588 10276 1 13 . 1 1 93 93 ASP N N 93 116.900 116.900 116.620 0.280 25588 10277 1 13 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.626 -0.122 25588 10278 1 13 . 1 1 93 93 ASP C C 93 174.900 174.900 175.442 -0.542 25588 10279 1 13 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.832 -3.292 25588 10280 1 13 . 1 1 93 93 ASP H H 93 7.821 7.821 7.902 -0.081 25588 10281 1 13 . 1 1 94 94 LYS N N 94 125.900 125.900 124.249 1.651 25588 10282 1 13 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.027 -0.139 25588 10283 1 13 . 1 1 94 94 LYS C C 94 175.700 175.700 177.566 -1.866 25588 10284 1 13 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.500 -2.090 25588 10285 1 13 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.482 -2.312 25588 10286 1 13 . 1 1 94 94 LYS H H 94 7.689 7.689 8.436 -0.747 25588 10287 1 13 . 1 1 95 95 ASP N N 95 114.000 114.000 115.799 -1.799 25588 10288 1 13 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.343 0.211 25588 10289 1 13 . 1 1 95 95 ASP C C 95 175.100 175.100 178.083 -2.983 25588 10290 1 13 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.298 -4.978 25588 10291 1 13 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.737 -3.747 25588 10292 1 13 . 1 1 95 95 ASP H H 95 8.179 8.179 8.093 0.086 25588 10293 1 13 . 1 1 96 96 GLY N N 96 109.300 109.300 110.092 -0.792 25588 10294 1 13 . 1 1 96 96 GLY C C 96 172.500 172.500 175.387 -2.887 25588 10295 1 13 . 1 1 96 96 GLY CA C 96 44.500 44.500 47.007 -2.507 25588 10296 1 13 . 1 1 96 96 GLY H H 96 7.765 7.765 8.438 -0.673 25588 10297 1 13 . 1 1 97 97 ASN N N 97 119.600 119.600 123.353 -3.753 25588 10298 1 13 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.569 0.075 25588 10299 1 13 . 1 1 97 97 ASN C C 97 173.400 173.400 175.585 -2.185 25588 10300 1 13 . 1 1 97 97 ASN CA C 97 50.070 50.070 53.681 -3.611 25588 10301 1 13 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.879 -3.359 25588 10302 1 13 . 1 1 97 97 ASN H H 97 8.302 8.302 8.569 -0.267 25588 10303 1 13 . 1 1 98 98 GLY N N 98 113.000 113.000 105.881 7.119 25588 10304 1 13 . 1 1 98 98 GLY C C 98 169.800 169.800 172.233 -2.433 25588 10305 1 13 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.291 -1.782 25588 10306 1 13 . 1 1 98 98 GLY H H 98 10.620 10.620 7.357 3.263 25588 10307 1 13 . 1 1 99 99 TYR N N 99 115.900 115.900 117.954 -2.054 25588 10308 1 13 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.625 0.411 25588 10309 1 13 . 1 1 99 99 TYR C C 99 171.900 171.900 175.744 -3.844 25588 10310 1 13 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.935 -3.545 25588 10311 1 13 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.203 -0.673 25588 10312 1 13 . 1 1 99 99 TYR H H 99 7.597 7.597 7.918 -0.321 25588 10313 1 13 . 1 1 100 100 ILE N N 100 127.400 127.400 123.781 3.619 25588 10314 1 13 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.265 0.514 25588 10315 1 13 . 1 1 100 100 ILE C C 100 172.900 172.900 176.340 -3.440 25588 10316 1 13 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.151 -3.491 25588 10317 1 13 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.593 -2.643 25588 10318 1 13 . 1 1 100 100 ILE H H 100 10.120 10.120 8.408 1.712 25588 10319 1 13 . 1 1 101 101 SER N N 101 123.800 123.800 123.583 0.217 25588 10320 1 13 . 1 1 101 101 SER C C 101 172.600 172.600 175.760 -3.160 25588 10321 1 13 . 1 1 101 101 SER CA C 101 53.180 53.180 57.348 -4.168 25588 10322 1 13 . 1 1 101 101 SER CB C 101 63.970 63.970 65.540 -1.570 25588 10323 1 13 . 1 1 101 101 SER H H 101 8.944 8.944 8.183 0.761 25588 10324 1 13 . 1 1 102 102 ALA N N 102 122.900 122.900 124.227 -1.327 25588 10325 1 13 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.096 -0.182 25588 10326 1 13 . 1 1 102 102 ALA C C 102 176.700 176.700 178.977 -2.277 25588 10327 1 13 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.272 -1.972 25588 10328 1 13 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.500 -3.050 25588 10329 1 13 . 1 1 102 102 ALA H H 102 9.178 9.178 9.040 0.138 25588 10330 1 13 . 1 1 103 103 ALA N N 103 118.400 118.400 121.426 -3.026 25588 10331 1 13 . 1 1 103 103 ALA C C 103 178.700 178.700 180.051 -1.351 25588 10332 1 13 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.979 -2.429 25588 10333 1 13 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.239 -2.359 25588 10334 1 13 . 1 1 103 103 ALA H H 103 8.205 8.205 7.846 0.359 25588 10335 1 13 . 1 1 104 104 GLU N N 104 119.700 119.700 118.621 1.079 25588 10336 1 13 . 1 1 104 104 GLU C C 104 176.600 176.600 179.013 -2.413 25588 10337 1 13 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.976 -2.336 25588 10338 1 13 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.683 -3.042 25588 10339 1 13 . 1 1 104 104 GLU H H 104 7.835 7.835 7.635 0.200 25588 10340 1 13 . 1 1 105 105 LEU N N 105 121.000 121.000 121.155 -0.155 25588 10341 1 13 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.066 0.033 25588 10342 1 13 . 1 1 105 105 LEU C C 105 175.800 175.800 178.180 -2.380 25588 10343 1 13 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.738 -2.078 25588 10344 1 13 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.949 -7.389 25588 10345 1 13 . 1 1 105 105 LEU H H 105 8.571 8.571 8.265 0.306 25588 10346 1 13 . 1 1 106 106 ARG N N 106 117.500 117.500 118.608 -1.108 25588 10347 1 13 . 1 1 106 106 ARG C C 106 176.000 176.000 177.738 -1.738 25588 10348 1 13 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.353 -3.123 25588 10349 1 13 . 1 1 106 106 ARG H H 106 8.522 8.522 8.016 0.506 25588 10350 1 13 . 1 1 107 107 HIS N N 107 119.000 119.000 116.639 2.361 25588 10351 1 13 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.330 -0.044 25588 10352 1 13 . 1 1 107 107 HIS C C 107 174.900 174.900 177.358 -2.458 25588 10353 1 13 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.605 -2.515 25588 10354 1 13 . 1 1 107 107 HIS H H 107 7.889 7.889 8.023 -0.134 25588 10355 1 13 . 1 1 108 108 VAL N N 108 118.900 118.900 119.498 -0.598 25588 10356 1 13 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.592 -0.107 25588 10357 1 13 . 1 1 108 108 VAL C C 108 175.400 175.400 178.003 -2.603 25588 10358 1 13 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.075 -2.555 25588 10359 1 13 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.503 -2.303 25588 10360 1 13 . 1 1 108 108 VAL H H 108 7.958 7.958 7.478 0.480 25588 10361 1 13 . 1 1 109 109 MET N N 109 116.400 116.400 117.863 -1.463 25588 10362 1 13 . 1 1 109 109 MET HA H 109 4.331 4.331 4.128 0.203 25588 10363 1 13 . 1 1 109 109 MET C C 109 176.000 176.000 178.803 -2.803 25588 10364 1 13 . 1 1 109 109 MET CA C 109 54.910 54.910 57.700 -2.790 25588 10365 1 13 . 1 1 109 109 MET CB C 109 28.750 28.750 31.031 -2.281 25588 10366 1 13 . 1 1 109 109 MET H H 109 8.247 8.247 8.057 0.190 25588 10367 1 13 . 1 1 110 110 THR N N 110 114.900 114.900 114.770 0.130 25588 10368 1 13 . 1 1 110 110 THR HA H 110 4.152 4.152 4.169 -0.017 25588 10369 1 13 . 1 1 110 110 THR C C 110 175.000 175.000 175.666 -0.666 25588 10370 1 13 . 1 1 110 110 THR CA C 110 63.270 63.270 65.786 -2.516 25588 10371 1 13 . 1 1 110 110 THR CB C 110 66.230 66.230 68.574 -2.344 25588 10372 1 13 . 1 1 110 110 THR H H 110 8.125 8.125 7.731 0.394 25588 10373 1 13 . 1 1 111 111 ASN N N 111 122.200 122.200 118.034 4.166 25588 10374 1 13 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.463 -0.026 25588 10375 1 13 . 1 1 111 111 ASN C C 111 173.700 173.700 177.392 -3.692 25588 10376 1 13 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.361 -2.291 25588 10377 1 13 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.292 -2.472 25588 10378 1 13 . 1 1 111 111 ASN H H 111 7.867 7.867 7.465 0.402 25588 10379 1 13 . 1 1 112 112 LEU N N 112 119.100 119.100 119.086 0.014 25588 10380 1 13 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.085 0.248 25588 10381 1 13 . 1 1 112 112 LEU C C 112 174.700 174.700 176.723 -2.023 25588 10382 1 13 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.542 -3.782 25588 10383 1 13 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.706 -3.256 25588 10384 1 13 . 1 1 112 112 LEU H H 112 7.850 7.850 7.285 0.565 25588 10385 1 13 . 1 1 113 113 GLY N N 113 106.800 106.800 103.650 3.150 25588 10386 1 13 . 1 1 113 113 GLY C C 113 171.700 171.700 172.235 -0.535 25588 10387 1 13 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.210 -2.420 25588 10388 1 13 . 1 1 113 113 GLY H H 113 7.830 7.830 7.473 0.357 25588 10389 1 13 . 1 1 114 114 GLU N N 114 120.600 120.600 119.096 1.504 25588 10390 1 13 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.620 -0.220 25588 10391 1 13 . 1 1 114 114 GLU C C 114 172.800 172.800 177.294 -4.494 25588 10392 1 13 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.271 -3.601 25588 10393 1 13 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.813 -2.853 25588 10394 1 13 . 1 1 114 114 GLU H H 114 7.914 7.914 8.704 -0.790 25588 10395 1 13 . 1 1 115 115 LYS N N 115 124.000 124.000 119.798 4.202 25588 10396 1 13 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.128 0.229 25588 10397 1 13 . 1 1 115 115 LYS C C 115 173.000 173.000 176.529 -3.529 25588 10398 1 13 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.070 -5.050 25588 10399 1 13 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.590 -3.180 25588 10400 1 13 . 1 1 115 115 LYS H H 115 8.505 8.505 8.381 0.124 25588 10401 1 13 . 1 1 116 116 LEU N N 116 125.000 125.000 118.366 6.634 25588 10402 1 13 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.401 0.358 25588 10403 1 13 . 1 1 116 116 LEU C C 116 175.300 175.300 177.040 -1.740 25588 10404 1 13 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.942 -2.522 25588 10405 1 13 . 1 1 116 116 LEU CB C 116 42.110 42.110 42.894 -0.784 25588 10406 1 13 . 1 1 116 116 LEU H H 116 8.076 8.076 7.730 0.346 25588 10407 1 13 . 1 1 117 117 THR N N 117 114.500 114.500 111.136 3.364 25588 10408 1 13 . 1 1 117 117 THR HA H 117 4.453 4.453 4.255 0.198 25588 10409 1 13 . 1 1 117 117 THR C C 117 172.800 172.800 174.211 -1.411 25588 10410 1 13 . 1 1 117 117 THR CA C 117 57.970 57.970 61.719 -3.749 25588 10411 1 13 . 1 1 117 117 THR CB C 117 68.610 68.610 69.978 -1.369 25588 10412 1 13 . 1 1 117 117 THR H H 117 9.116 9.116 8.171 0.945 25588 10413 1 13 . 1 1 118 118 ASP N N 118 121.000 121.000 119.221 1.779 25588 10414 1 13 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.638 -0.442 25588 10415 1 13 . 1 1 118 118 ASP C C 118 175.900 175.900 177.644 -1.744 25588 10416 1 13 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.179 -0.819 25588 10417 1 13 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.982 -3.872 25588 10418 1 13 . 1 1 118 118 ASP H H 118 8.847 8.847 8.641 0.206 25588 10419 1 13 . 1 1 119 119 GLU N N 119 119.100 119.100 119.368 -0.268 25588 10420 1 13 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.438 -0.368 25588 10421 1 13 . 1 1 119 119 GLU C C 119 176.500 176.500 177.590 -1.090 25588 10422 1 13 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.786 -1.506 25588 10423 1 13 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.593 -3.163 25588 10424 1 13 . 1 1 119 119 GLU H H 119 8.626 8.626 8.421 0.204 25588 10425 1 13 . 1 1 120 120 GLU N N 120 120.500 120.500 118.337 2.163 25588 10426 1 13 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.057 -0.067 25588 10427 1 13 . 1 1 120 120 GLU C C 120 177.400 177.400 178.693 -1.293 25588 10428 1 13 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.344 -2.754 25588 10429 1 13 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.168 -0.378 25588 10430 1 13 . 1 1 120 120 GLU H H 120 7.724 7.724 8.840 -1.116 25588 10431 1 13 . 1 1 121 121 VAL N N 121 121.100 121.100 114.751 6.349 25588 10432 1 13 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.801 -0.214 25588 10433 1 13 . 1 1 121 121 VAL C C 121 174.600 174.600 177.740 -3.140 25588 10434 1 13 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.269 -0.959 25588 10435 1 13 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.407 -3.027 25588 10436 1 13 . 1 1 121 121 VAL H H 121 8.062 8.062 7.917 0.145 25588 10437 1 13 . 1 1 122 122 ASP N N 122 119.600 119.600 121.922 -2.322 25588 10438 1 13 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.345 -0.036 25588 10439 1 13 . 1 1 122 122 ASP C C 122 176.500 176.500 178.838 -2.338 25588 10440 1 13 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.326 -2.326 25588 10441 1 13 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.085 -2.185 25588 10442 1 13 . 1 1 122 122 ASP H H 122 8.007 8.007 7.748 0.259 25588 10443 1 13 . 1 1 123 123 GLU N N 123 119.300 119.300 119.200 0.100 25588 10444 1 13 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.068 -0.070 25588 10445 1 13 . 1 1 123 123 GLU C C 123 175.400 175.400 178.716 -3.316 25588 10446 1 13 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.594 -1.934 25588 10447 1 13 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.479 -2.689 25588 10448 1 13 . 1 1 123 123 GLU H H 123 7.967 7.967 8.067 -0.100 25588 10449 1 13 . 1 1 124 124 MET N N 124 119.600 119.600 120.793 -1.193 25588 10450 1 13 . 1 1 124 124 MET HA H 124 4.033 4.033 4.542 -0.509 25588 10451 1 13 . 1 1 124 124 MET C C 124 176.500 176.500 178.600 -2.100 25588 10452 1 13 . 1 1 124 124 MET CA C 124 56.970 56.970 58.454 -1.484 25588 10453 1 13 . 1 1 124 124 MET CB C 124 30.470 30.470 32.315 -1.845 25588 10454 1 13 . 1 1 124 124 MET H H 124 7.789 7.789 7.834 -0.045 25588 10455 1 13 . 1 1 125 125 ILE N N 125 118.500 118.500 116.265 2.235 25588 10456 1 13 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.775 -0.276 25588 10457 1 13 . 1 1 125 125 ILE C C 125 174.600 174.600 177.415 -2.815 25588 10458 1 13 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.642 -2.452 25588 10459 1 13 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.521 -4.011 25588 10460 1 13 . 1 1 125 125 ILE H H 125 7.940 7.940 7.713 0.227 25588 10461 1 13 . 1 1 126 126 ARG N N 126 118.300 118.300 119.024 -0.724 25588 10462 1 13 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.201 -0.193 25588 10463 1 13 . 1 1 126 126 ARG C C 126 176.800 176.800 178.446 -1.646 25588 10464 1 13 . 1 1 126 126 ARG CA C 126 57.100 57.100 58.975 -1.875 25588 10465 1 13 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.611 -3.042 25588 10466 1 13 . 1 1 126 126 ARG H H 126 8.168 8.168 7.933 0.235 25588 10467 1 13 . 1 1 127 127 GLU N N 127 116.300 116.300 119.603 -3.303 25588 10468 1 13 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.183 -0.200 25588 10469 1 13 . 1 1 127 127 GLU C C 127 174.700 174.700 177.579 -2.879 25588 10470 1 13 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.332 -2.452 25588 10471 1 13 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.592 -2.652 25588 10472 1 13 . 1 1 127 127 GLU H H 127 7.918 7.918 8.416 -0.498 25588 10473 1 13 . 1 1 128 128 ALA N N 128 119.100 119.100 121.045 -1.945 25588 10474 1 13 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.027 0.391 25588 10475 1 13 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.162 -4.652 25588 10476 1 13 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.793 -0.053 25588 10477 1 13 . 1 1 128 128 ALA H H 128 7.354 7.354 7.545 -0.191 25588 10478 1 13 . 1 1 129 129 ASP N N 129 117.400 117.400 118.002 -0.602 25588 10479 1 13 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.685 -0.183 25588 10480 1 13 . 1 1 129 129 ASP C C 129 173.400 173.400 176.799 -3.399 25588 10481 1 13 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.125 -1.715 25588 10482 1 13 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.817 -5.117 25588 10483 1 13 . 1 1 129 129 ASP H H 129 7.871 7.871 7.521 0.350 25588 10484 1 13 . 1 1 130 130 ILE N N 130 128.000 128.000 117.594 10.406 25588 10485 1 13 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.248 -0.331 25588 10486 1 13 . 1 1 130 130 ILE C C 130 175.300 175.300 176.021 -0.721 25588 10487 1 13 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.292 -0.582 25588 10488 1 13 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.797 -1.987 25588 10489 1 13 . 1 1 130 130 ILE H H 130 8.384 8.384 8.304 0.080 25588 10490 1 13 . 1 1 131 131 ASP N N 131 116.800 116.800 122.236 -5.436 25588 10491 1 13 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.491 0.059 25588 10492 1 13 . 1 1 131 131 ASP C C 131 175.600 175.600 177.713 -2.113 25588 10493 1 13 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.387 -5.167 25588 10494 1 13 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.335 -4.105 25588 10495 1 13 . 1 1 131 131 ASP H H 131 8.281 8.281 8.655 -0.374 25588 10496 1 13 . 1 1 132 132 GLY N N 132 108.500 108.500 107.757 0.743 25588 10497 1 13 . 1 1 132 132 GLY C C 132 172.600 172.600 174.680 -2.080 25588 10498 1 13 . 1 1 132 132 GLY CA C 132 44.850 44.850 45.908 -1.058 25588 10499 1 13 . 1 1 132 132 GLY H H 132 7.575 7.575 8.750 -1.175 25588 10500 1 13 . 1 1 133 133 ASP N N 133 120.800 120.800 117.107 3.693 25588 10501 1 13 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.642 -0.178 25588 10502 1 13 . 1 1 133 133 ASP C C 133 174.900 174.900 176.763 -1.863 25588 10503 1 13 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.222 -2.232 25588 10504 1 13 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.298 -2.708 25588 10505 1 13 . 1 1 133 133 ASP H H 133 8.326 8.326 8.065 0.261 25588 10506 1 13 . 1 1 134 134 GLY N N 134 112.900 112.900 108.729 4.171 25588 10507 1 13 . 1 1 134 134 GLY C C 134 170.200 170.200 173.573 -3.373 25588 10508 1 13 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.420 -2.370 25588 10509 1 13 . 1 1 134 134 GLY H H 134 10.310 10.310 8.124 2.186 25588 10510 1 13 . 1 1 135 135 GLN N N 135 115.400 115.400 120.667 -5.267 25588 10511 1 13 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.600 0.260 25588 10512 1 13 . 1 1 135 135 GLN C C 135 172.100 172.100 173.691 -1.591 25588 10513 1 13 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.652 -4.122 25588 10514 1 13 . 1 1 135 135 GLN CB C 135 30.020 30.020 31.959 -1.939 25588 10515 1 13 . 1 1 135 135 GLN H H 135 7.937 7.937 8.320 -0.383 25588 10516 1 13 . 1 1 136 136 VAL N N 136 125.500 125.500 124.005 1.495 25588 10517 1 13 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.789 0.401 25588 10518 1 13 . 1 1 136 136 VAL C C 136 173.200 173.200 174.757 -1.557 25588 10519 1 13 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.915 -1.815 25588 10520 1 13 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.017 -3.097 25588 10521 1 13 . 1 1 136 136 VAL H H 136 9.112 9.112 8.607 0.505 25588 10522 1 13 . 1 1 137 137 ASN N N 137 129.000 129.000 123.539 5.461 25588 10523 1 13 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.173 0.059 25588 10524 1 13 . 1 1 137 137 ASN C C 137 172.200 172.200 174.919 -2.719 25588 10525 1 13 . 1 1 137 137 ASN CA C 137 48.460 48.460 52.136 -3.675 25588 10526 1 13 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.959 -6.269 25588 10527 1 13 . 1 1 137 137 ASN H H 137 9.509 9.509 8.698 0.811 25588 10528 1 13 . 1 1 138 138 TYR N N 138 118.400 118.400 122.806 -4.406 25588 10529 1 13 . 1 1 138 138 TYR HA H 138 3.424 3.424 3.768 -0.344 25588 10530 1 13 . 1 1 138 138 TYR C C 138 173.500 173.500 176.779 -3.279 25588 10531 1 13 . 1 1 138 138 TYR CA C 138 60.030 60.030 61.194 -1.163 25588 10532 1 13 . 1 1 138 138 TYR H H 138 8.420 8.420 9.045 -0.625 25588 10533 1 13 . 1 1 139 139 GLU N N 139 118.400 118.400 117.516 0.884 25588 10534 1 13 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.559 0.082 25588 10535 1 13 . 1 1 139 139 GLU C C 139 177.900 177.900 178.656 -0.756 25588 10536 1 13 . 1 1 139 139 GLU CA C 139 57.740 57.740 59.608 -1.868 25588 10537 1 13 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.759 -2.369 25588 10538 1 13 . 1 1 139 139 GLU H H 139 8.066 8.066 8.660 -0.594 25588 10539 1 13 . 1 1 140 140 GLU N N 140 119.900 119.900 119.631 0.269 25588 10540 1 13 . 1 1 140 140 GLU C C 140 176.700 176.700 178.633 -1.933 25588 10541 1 13 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.113 -2.213 25588 10542 1 13 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.747 -2.547 25588 10543 1 13 . 1 1 140 140 GLU H H 140 8.728 8.728 8.391 0.337 25588 10544 1 13 . 1 1 141 141 PHE N N 141 124.600 124.600 120.956 3.644 25588 10545 1 13 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.176 -0.192 25588 10546 1 13 . 1 1 141 141 PHE C C 141 174.200 174.200 177.370 -3.170 25588 10547 1 13 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.342 -2.382 25588 10548 1 13 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.439 -1.169 25588 10549 1 13 . 1 1 141 141 PHE H H 141 8.920 8.920 7.788 1.132 25588 10550 1 13 . 1 1 142 142 VAL N N 142 119.300 119.300 117.230 2.070 25588 10551 1 13 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.655 -0.534 25588 10552 1 13 . 1 1 142 142 VAL C C 142 176.900 176.900 177.519 -0.619 25588 10553 1 13 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.142 -1.712 25588 10554 1 13 . 1 1 142 142 VAL H H 142 8.536 8.536 7.250 1.286 25588 10555 1 13 . 1 1 143 143 GLN N N 143 118.200 118.200 116.905 1.295 25588 10556 1 13 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.036 -0.185 25588 10557 1 13 . 1 1 143 143 GLN C C 143 175.300 175.300 177.272 -1.972 25588 10558 1 13 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.746 -1.486 25588 10559 1 13 . 1 1 143 143 GLN H H 143 7.404 7.404 7.582 -0.178 25588 10560 1 13 . 1 1 144 144 MET N N 144 119.400 119.400 117.896 1.504 25588 10561 1 13 . 1 1 144 144 MET HA H 144 4.107 4.107 4.148 -0.041 25588 10562 1 13 . 1 1 144 144 MET C C 144 175.400 175.400 176.714 -1.314 25588 10563 1 13 . 1 1 144 144 MET CA C 144 55.500 55.500 58.141 -2.641 25588 10564 1 13 . 1 1 144 144 MET CB C 144 30.460 30.460 33.514 -3.054 25588 10565 1 13 . 1 1 144 144 MET H H 144 7.878 7.878 7.957 -0.079 25588 10566 1 13 . 1 1 145 145 MET N N 145 115.000 115.000 117.088 -2.088 25588 10567 1 13 . 1 1 145 145 MET HA H 145 4.281 4.281 4.626 -0.345 25588 10568 1 13 . 1 1 145 145 MET C C 145 174.900 174.900 174.448 0.452 25588 10569 1 13 . 1 1 145 145 MET CA C 145 52.740 52.740 55.174 -2.434 25588 10570 1 13 . 1 1 145 145 MET H H 145 7.852 7.852 7.459 0.393 25588 10571 1 13 . 1 1 146 146 THR N N 146 111.100 111.100 117.216 -6.116 25588 10572 1 13 . 1 1 146 146 THR HA H 146 4.306 4.306 4.503 -0.197 25588 10573 1 13 . 1 1 146 146 THR C C 146 171.600 171.600 174.006 -2.406 25588 10574 1 13 . 1 1 146 146 THR CA C 146 59.830 59.830 61.705 -1.875 25588 10575 1 13 . 1 1 146 146 THR CB C 146 67.510 67.510 69.416 -1.906 25588 10576 1 13 . 1 1 146 146 THR H H 146 7.571 7.571 8.170 -0.599 25588 10577 1 13 . 1 1 147 147 ALA N N 147 126.300 126.300 128.617 -2.317 25588 10578 1 13 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.102 0.198 25588 10579 1 13 . 1 1 147 147 ALA C C 147 174.000 174.000 177.255 -3.255 25588 10580 1 13 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.301 -4.111 25588 10581 1 13 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.460 -2.980 25588 10582 1 13 . 1 1 147 147 ALA H H 147 7.723 7.723 8.482 -0.759 25588 10583 1 14 . 1 1 2 2 ASP N N 2 118.400 118.400 121.615 -3.215 25588 10584 1 14 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.748 -0.134 25588 10585 1 14 . 1 1 2 2 ASP C C 2 173.000 173.000 176.343 -3.343 25588 10586 1 14 . 1 1 2 2 ASP CA C 2 52.020 52.020 53.873 -1.853 25588 10587 1 14 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.625 -2.805 25588 10588 1 14 . 1 1 2 2 ASP H H 2 8.311 8.311 8.335 -0.024 25588 10589 1 14 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.138 0.216 25588 10590 1 14 . 1 1 3 3 GLN C C 3 173.000 173.000 176.033 -3.033 25588 10591 1 14 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.724 -3.813 25588 10592 1 14 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.446 -2.296 25588 10593 1 14 . 1 1 3 3 GLN H H 3 8.321 8.321 8.632 -0.311 25588 10594 1 14 . 1 1 4 4 LEU N N 4 123.200 123.200 120.936 2.264 25588 10595 1 14 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.868 -0.218 25588 10596 1 14 . 1 1 4 4 LEU C C 4 175.100 175.100 175.816 -0.716 25588 10597 1 14 . 1 1 4 4 LEU CA C 4 51.790 51.790 53.879 -2.088 25588 10598 1 14 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.803 -2.943 25588 10599 1 14 . 1 1 4 4 LEU H H 4 8.268 8.268 8.147 0.121 25588 10600 1 14 . 1 1 5 5 THR N N 5 113.000 113.000 115.279 -2.279 25588 10601 1 14 . 1 1 5 5 THR HA H 5 4.754 4.754 4.660 0.094 25588 10602 1 14 . 1 1 5 5 THR C C 5 172.800 172.800 174.987 -2.187 25588 10603 1 14 . 1 1 5 5 THR CA C 5 57.880 57.880 59.799 -1.919 25588 10604 1 14 . 1 1 5 5 THR CB C 5 68.480 68.480 72.038 -3.558 25588 10605 1 14 . 1 1 5 5 THR H H 5 8.682 8.682 8.195 0.487 25588 10606 1 14 . 1 1 6 6 GLU N N 6 120.500 120.500 122.446 -1.946 25588 10607 1 14 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.004 -0.041 25588 10608 1 14 . 1 1 6 6 GLU C C 6 176.800 176.800 178.286 -1.486 25588 10609 1 14 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.582 -2.152 25588 10610 1 14 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.652 -3.132 25588 10611 1 14 . 1 1 6 6 GLU H H 6 8.990 8.990 9.026 -0.036 25588 10612 1 14 . 1 1 7 7 GLU N N 7 119.600 119.600 118.871 0.729 25588 10613 1 14 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.032 0.037 25588 10614 1 14 . 1 1 7 7 GLU C C 7 176.500 176.500 179.092 -2.592 25588 10615 1 14 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.497 -2.117 25588 10616 1 14 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.319 -2.889 25588 10617 1 14 . 1 1 7 7 GLU H H 7 8.668 8.668 8.625 0.043 25588 10618 1 14 . 1 1 8 8 GLN N N 8 120.100 120.100 118.476 1.624 25588 10619 1 14 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.140 -0.271 25588 10620 1 14 . 1 1 8 8 GLN C C 8 175.700 175.700 178.899 -3.199 25588 10621 1 14 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.657 -2.707 25588 10622 1 14 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.910 -2.100 25588 10623 1 14 . 1 1 8 8 GLN H H 8 7.721 7.721 7.518 0.203 25588 10624 1 14 . 1 1 9 9 ILE N N 9 119.600 119.600 119.909 -0.309 25588 10625 1 14 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.811 -0.099 25588 10626 1 14 . 1 1 9 9 ILE C C 9 175.100 175.100 177.931 -2.831 25588 10627 1 14 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.792 -1.262 25588 10628 1 14 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.873 -2.793 25588 10629 1 14 . 1 1 9 9 ILE H H 9 8.373 8.373 7.407 0.966 25588 10630 1 14 . 1 1 10 10 ALA N N 10 121.300 121.300 122.336 -1.036 25588 10631 1 14 . 1 1 10 10 ALA C C 10 178.400 178.400 179.317 -0.917 25588 10632 1 14 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.453 -2.663 25588 10633 1 14 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.988 -2.628 25588 10634 1 14 . 1 1 10 10 ALA H H 10 7.984 7.984 8.386 -0.402 25588 10635 1 14 . 1 1 11 11 GLU N N 11 119.500 119.500 119.030 0.470 25588 10636 1 14 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.875 0.272 25588 10637 1 14 . 1 1 11 11 GLU C C 11 177.900 177.900 179.019 -1.119 25588 10638 1 14 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.267 -2.597 25588 10639 1 14 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.241 -2.741 25588 10640 1 14 . 1 1 11 11 GLU H H 11 7.779 7.779 7.891 -0.112 25588 10641 1 14 . 1 1 12 12 PHE N N 12 120.200 120.200 118.131 2.069 25588 10642 1 14 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.255 0.765 25588 10643 1 14 . 1 1 12 12 PHE C C 12 176.100 176.100 178.052 -1.952 25588 10644 1 14 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.296 -4.686 25588 10645 1 14 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.794 -3.514 25588 10646 1 14 . 1 1 12 12 PHE H H 12 8.562 8.562 7.899 0.663 25588 10647 1 14 . 1 1 13 13 LYS N N 13 123.500 123.500 119.543 3.957 25588 10648 1 14 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.061 -0.072 25588 10649 1 14 . 1 1 13 13 LYS C C 13 176.700 176.700 179.119 -2.419 25588 10650 1 14 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.678 -2.158 25588 10651 1 14 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.385 -3.075 25588 10652 1 14 . 1 1 13 13 LYS H H 13 9.161 9.161 7.503 1.658 25588 10653 1 14 . 1 1 14 14 GLU N N 14 120.400 120.400 118.520 1.880 25588 10654 1 14 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.163 -0.038 25588 10655 1 14 . 1 1 14 14 GLU C C 14 176.800 176.800 179.118 -2.318 25588 10656 1 14 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.834 -2.104 25588 10657 1 14 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.512 -2.912 25588 10658 1 14 . 1 1 14 14 GLU H H 14 7.786 7.786 8.349 -0.563 25588 10659 1 14 . 1 1 15 15 ALA N N 15 122.600 122.600 121.925 0.675 25588 10660 1 14 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.994 0.289 25588 10661 1 14 . 1 1 15 15 ALA C C 15 176.400 176.400 179.153 -2.753 25588 10662 1 14 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.813 -2.223 25588 10663 1 14 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.107 -2.567 25588 10664 1 14 . 1 1 15 15 ALA H H 15 7.981 7.981 8.418 -0.437 25588 10665 1 14 . 1 1 16 16 PHE N N 16 119.400 119.400 118.301 1.099 25588 10666 1 14 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.450 -1.244 25588 10667 1 14 . 1 1 16 16 PHE C C 16 174.600 174.600 177.127 -2.527 25588 10668 1 14 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.393 -2.033 25588 10669 1 14 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.271 -2.231 25588 10670 1 14 . 1 1 16 16 PHE H H 16 8.796 8.796 7.544 1.252 25588 10671 1 14 . 1 1 17 17 SER N N 17 112.600 112.600 114.157 -1.557 25588 10672 1 14 . 1 1 17 17 SER HA H 17 4.028 4.028 4.243 -0.215 25588 10673 1 14 . 1 1 17 17 SER C C 17 172.400 172.400 175.783 -3.383 25588 10674 1 14 . 1 1 17 17 SER CA C 17 58.820 58.820 60.639 -1.819 25588 10675 1 14 . 1 1 17 17 SER CB C 17 60.680 60.680 63.772 -3.092 25588 10676 1 14 . 1 1 17 17 SER H H 17 7.898 7.898 7.865 0.033 25588 10677 1 14 . 1 1 18 18 LEU N N 18 121.000 121.000 124.179 -3.179 25588 10678 1 14 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.931 0.064 25588 10679 1 14 . 1 1 18 18 LEU C C 18 175.300 175.300 177.933 -2.633 25588 10680 1 14 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.806 -3.316 25588 10681 1 14 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.396 -2.526 25588 10682 1 14 . 1 1 18 18 LEU H H 18 7.426 7.426 7.219 0.207 25588 10683 1 14 . 1 1 19 19 PHE N N 19 115.200 115.200 115.500 -0.300 25588 10684 1 14 . 1 1 19 19 PHE C C 19 174.100 174.100 178.109 -4.009 25588 10685 1 14 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.670 -5.030 25588 10686 1 14 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.401 -0.151 25588 10687 1 14 . 1 1 19 19 PHE H H 19 7.309 7.309 7.516 -0.207 25588 10688 1 14 . 1 1 20 20 ASP N N 20 117.700 117.700 118.585 -0.885 25588 10689 1 14 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.536 0.004 25588 10690 1 14 . 1 1 20 20 ASP C C 20 174.500 174.500 178.156 -3.656 25588 10691 1 14 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.678 -4.958 25588 10692 1 14 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.836 -4.636 25588 10693 1 14 . 1 1 20 20 ASP H H 20 7.814 7.814 7.814 0.000 25588 10694 1 14 . 1 1 21 21 LYS N N 21 124.400 124.400 119.188 5.212 25588 10695 1 14 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.897 0.057 25588 10696 1 14 . 1 1 21 21 LYS C C 21 175.500 175.500 177.639 -2.139 25588 10697 1 14 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.017 -3.127 25588 10698 1 14 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.248 -2.188 25588 10699 1 14 . 1 1 21 21 LYS H H 21 7.652 7.652 7.780 -0.128 25588 10700 1 14 . 1 1 22 22 ASP N N 22 113.900 113.900 116.905 -3.005 25588 10701 1 14 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.382 0.203 25588 10702 1 14 . 1 1 22 22 ASP C C 22 175.000 175.000 177.095 -2.095 25588 10703 1 14 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.657 -5.527 25588 10704 1 14 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.930 -4.020 25588 10705 1 14 . 1 1 22 22 ASP H H 22 8.056 8.056 7.728 0.328 25588 10706 1 14 . 1 1 23 23 GLY N N 23 109.200 109.200 108.894 0.306 25588 10707 1 14 . 1 1 23 23 GLY C C 23 172.300 172.300 173.707 -1.407 25588 10708 1 14 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.485 0.105 25588 10709 1 14 . 1 1 23 23 GLY H H 23 7.660 7.660 7.656 0.004 25588 10710 1 14 . 1 1 24 24 ASP N N 24 118.600 118.600 118.166 0.434 25588 10711 1 14 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.528 0.089 25588 10712 1 14 . 1 1 24 24 ASP C C 24 174.200 174.200 175.709 -1.509 25588 10713 1 14 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.303 -5.333 25588 10714 1 14 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.005 -5.915 25588 10715 1 14 . 1 1 24 24 ASP H H 24 8.052 8.052 8.399 -0.347 25588 10716 1 14 . 1 1 25 25 GLY N N 25 113.400 113.400 107.655 5.745 25588 10717 1 14 . 1 1 25 25 GLY C C 25 170.600 170.600 173.191 -2.591 25588 10718 1 14 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.868 -1.708 25588 10719 1 14 . 1 1 25 25 GLY H H 25 10.570 10.570 7.957 2.613 25588 10720 1 14 . 1 1 26 26 THR N N 26 109.100 109.100 117.344 -8.244 25588 10721 1 14 . 1 1 26 26 THR HA H 26 5.271 5.271 4.423 0.848 25588 10722 1 14 . 1 1 26 26 THR C C 26 170.200 170.200 172.686 -2.486 25588 10723 1 14 . 1 1 26 26 THR CA C 26 57.170 57.170 62.113 -4.943 25588 10724 1 14 . 1 1 26 26 THR CB C 26 69.920 69.920 72.558 -2.638 25588 10725 1 14 . 1 1 26 26 THR H H 26 7.661 7.661 8.126 -0.465 25588 10726 1 14 . 1 1 27 27 ILE N N 27 127.100 127.100 126.430 0.670 25588 10727 1 14 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.682 0.289 25588 10728 1 14 . 1 1 27 27 ILE C C 27 173.400 173.400 174.862 -1.462 25588 10729 1 14 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.081 -2.260 25588 10730 1 14 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.092 -2.372 25588 10731 1 14 . 1 1 27 27 ILE H H 27 9.766 9.766 8.217 1.549 25588 10732 1 14 . 1 1 28 28 THR N N 28 116.500 116.500 117.176 -0.676 25588 10733 1 14 . 1 1 28 28 THR HA H 28 4.802 4.802 4.999 -0.197 25588 10734 1 14 . 1 1 28 28 THR C C 28 173.900 173.900 176.068 -2.168 25588 10735 1 14 . 1 1 28 28 THR CA C 28 56.980 56.980 59.470 -2.490 25588 10736 1 14 . 1 1 28 28 THR CB C 28 69.730 69.730 72.155 -2.425 25588 10737 1 14 . 1 1 28 28 THR H H 28 8.458 8.458 8.307 0.151 25588 10738 1 14 . 1 1 29 29 THR N N 29 112.900 112.900 113.148 -0.248 25588 10739 1 14 . 1 1 29 29 THR HA H 29 4.169 4.169 4.013 0.156 25588 10740 1 14 . 1 1 29 29 THR C C 29 174.500 174.500 176.634 -2.134 25588 10741 1 14 . 1 1 29 29 THR CA C 29 63.940 63.940 66.549 -2.609 25588 10742 1 14 . 1 1 29 29 THR CB C 29 65.170 65.170 68.657 -3.487 25588 10743 1 14 . 1 1 29 29 THR H H 29 9.066 9.066 8.668 0.398 25588 10744 1 14 . 1 1 30 30 LYS N N 30 120.800 120.800 121.489 -0.689 25588 10745 1 14 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.968 0.143 25588 10746 1 14 . 1 1 30 30 LYS C C 30 177.200 177.200 179.023 -1.823 25588 10747 1 14 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.364 -2.834 25588 10748 1 14 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.215 -2.255 25588 10749 1 14 . 1 1 30 30 LYS H H 30 7.664 7.664 7.743 -0.079 25588 10750 1 14 . 1 1 31 31 GLU N N 31 121.400 121.400 118.949 2.451 25588 10751 1 14 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.007 0.058 25588 10752 1 14 . 1 1 31 31 GLU C C 31 176.500 176.500 179.060 -2.560 25588 10753 1 14 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.917 -2.337 25588 10754 1 14 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.764 -2.604 25588 10755 1 14 . 1 1 31 31 GLU H H 31 7.635 7.635 7.426 0.209 25588 10756 1 14 . 1 1 32 32 LEU N N 32 120.600 120.600 121.131 -0.531 25588 10757 1 14 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.307 -0.225 25588 10758 1 14 . 1 1 32 32 LEU C C 32 176.300 176.300 178.788 -2.488 25588 10759 1 14 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.252 -1.842 25588 10760 1 14 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.887 -1.917 25588 10761 1 14 . 1 1 32 32 LEU H H 32 8.699 8.699 7.576 1.123 25588 10762 1 14 . 1 1 33 33 GLY N N 33 105.600 105.600 104.531 1.069 25588 10763 1 14 . 1 1 33 33 GLY C C 33 172.500 172.500 176.165 -3.665 25588 10764 1 14 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.494 -1.774 25588 10765 1 14 . 1 1 33 33 GLY H H 33 8.616 8.616 8.763 -0.147 25588 10766 1 14 . 1 1 34 34 THR N N 34 118.000 118.000 119.358 -1.358 25588 10767 1 14 . 1 1 34 34 THR HA H 34 3.913 3.913 3.950 -0.036 25588 10768 1 14 . 1 1 34 34 THR C C 34 174.500 174.500 176.319 -1.819 25588 10769 1 14 . 1 1 34 34 THR CA C 34 64.250 64.250 66.616 -2.366 25588 10770 1 14 . 1 1 34 34 THR CB C 34 66.100 66.100 68.668 -2.568 25588 10771 1 14 . 1 1 34 34 THR H H 34 7.867 7.867 7.458 0.409 25588 10772 1 14 . 1 1 35 35 VAL N N 35 122.100 122.100 121.376 0.724 25588 10773 1 14 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.623 -0.165 25588 10774 1 14 . 1 1 35 35 VAL C C 35 176.500 176.500 176.989 -0.489 25588 10775 1 14 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.761 -2.131 25588 10776 1 14 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.893 -2.773 25588 10777 1 14 . 1 1 35 35 VAL H H 35 7.613 7.613 7.756 -0.143 25588 10778 1 14 . 1 1 36 36 MET N N 36 118.400 118.400 117.468 0.932 25588 10779 1 14 . 1 1 36 36 MET HA H 36 4.095 4.095 4.038 0.057 25588 10780 1 14 . 1 1 36 36 MET C C 36 176.500 176.500 178.032 -1.532 25588 10781 1 14 . 1 1 36 36 MET CA C 36 56.420 56.420 57.743 -1.323 25588 10782 1 14 . 1 1 36 36 MET H H 36 8.440 8.440 7.405 1.035 25588 10783 1 14 . 1 1 37 37 ARG N N 37 119.000 119.000 118.426 0.574 25588 10784 1 14 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.059 0.742 25588 10785 1 14 . 1 1 37 37 ARG C C 37 178.500 178.500 179.115 -0.615 25588 10786 1 14 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.349 -2.929 25588 10787 1 14 . 1 1 37 37 ARG H H 37 8.474 8.474 8.120 0.354 25588 10788 1 14 . 1 1 38 38 SER N N 38 118.800 118.800 115.832 2.968 25588 10789 1 14 . 1 1 38 38 SER HA H 38 4.380 4.380 4.224 0.156 25588 10790 1 14 . 1 1 38 38 SER C C 38 172.200 172.200 175.981 -3.781 25588 10791 1 14 . 1 1 38 38 SER CA C 38 58.930 58.930 61.061 -2.131 25588 10792 1 14 . 1 1 38 38 SER CB C 38 60.200 60.200 62.840 -2.640 25588 10793 1 14 . 1 1 38 38 SER H H 38 7.899 7.899 8.131 -0.232 25588 10794 1 14 . 1 1 39 39 LEU N N 39 120.600 120.600 119.760 0.840 25588 10795 1 14 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.439 0.056 25588 10796 1 14 . 1 1 39 39 LEU C C 39 174.800 174.800 176.672 -1.872 25588 10797 1 14 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.981 -2.051 25588 10798 1 14 . 1 1 39 39 LEU H H 39 7.364 7.364 7.321 0.043 25588 10799 1 14 . 1 1 40 40 GLY N N 40 106.800 106.800 108.481 -1.681 25588 10800 1 14 . 1 1 40 40 GLY C C 40 171.700 171.700 174.113 -2.413 25588 10801 1 14 . 1 1 40 40 GLY CA C 40 42.970 42.970 45.681 -2.711 25588 10802 1 14 . 1 1 40 40 GLY H H 40 7.862 7.862 7.789 0.073 25588 10803 1 14 . 1 1 41 41 GLN N N 41 118.400 118.400 120.898 -2.498 25588 10804 1 14 . 1 1 41 41 GLN HA H 41 4.480 4.480 3.787 0.693 25588 10805 1 14 . 1 1 41 41 GLN C C 41 171.400 171.400 174.000 -2.600 25588 10806 1 14 . 1 1 41 41 GLN CA C 41 51.890 51.890 56.548 -4.658 25588 10807 1 14 . 1 1 41 41 GLN CB C 41 28.080 28.080 28.115 -0.035 25588 10808 1 14 . 1 1 41 41 GLN H H 41 7.788 7.788 8.445 -0.657 25588 10809 1 14 . 1 1 42 42 ASN N N 42 116.300 116.300 120.246 -3.946 25588 10810 1 14 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.288 -0.095 25588 10811 1 14 . 1 1 42 42 ASN CA C 42 48.620 48.620 50.011 -1.391 25588 10812 1 14 . 1 1 42 42 ASN H H 42 8.665 8.665 8.624 0.041 25588 10813 1 14 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.072 0.663 25588 10814 1 14 . 1 1 43 43 PRO C C 43 175.100 175.100 178.509 -3.409 25588 10815 1 14 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.818 -6.038 25588 10816 1 14 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.579 -2.189 25588 10817 1 14 . 1 1 44 44 THR N N 44 112.900 112.900 112.992 -0.092 25588 10818 1 14 . 1 1 44 44 THR HA H 44 4.707 4.707 3.961 0.746 25588 10819 1 14 . 1 1 44 44 THR C C 44 172.600 172.600 176.770 -4.170 25588 10820 1 14 . 1 1 44 44 THR CA C 44 57.830 57.830 66.609 -8.779 25588 10821 1 14 . 1 1 44 44 THR CB C 44 68.490 68.490 68.358 0.132 25588 10822 1 14 . 1 1 44 44 THR H H 44 8.702 8.702 7.979 0.723 25588 10823 1 14 . 1 1 45 45 GLU N N 45 120.800 120.800 120.040 0.760 25588 10824 1 14 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.326 -0.351 25588 10825 1 14 . 1 1 45 45 GLU C C 45 176.300 176.300 178.328 -2.028 25588 10826 1 14 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.046 -0.586 25588 10827 1 14 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.641 -3.221 25588 10828 1 14 . 1 1 45 45 GLU H H 45 8.789 8.789 8.530 0.259 25588 10829 1 14 . 1 1 46 46 ALA N N 46 120.700 120.700 123.802 -3.102 25588 10830 1 14 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.074 0.015 25588 10831 1 14 . 1 1 46 46 ALA C C 46 177.700 177.700 179.629 -1.929 25588 10832 1 14 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.277 -2.867 25588 10833 1 14 . 1 1 46 46 ALA CB C 46 15.650 15.650 18.016 -2.366 25588 10834 1 14 . 1 1 46 46 ALA H H 46 8.241 8.241 8.254 -0.013 25588 10835 1 14 . 1 1 47 47 GLU N N 47 118.900 118.900 117.721 1.179 25588 10836 1 14 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.185 -0.183 25588 10837 1 14 . 1 1 47 47 GLU C C 47 177.500 177.500 179.402 -1.902 25588 10838 1 14 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.564 -2.154 25588 10839 1 14 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.756 -2.696 25588 10840 1 14 . 1 1 47 47 GLU H H 47 7.682 7.682 7.841 -0.159 25588 10841 1 14 . 1 1 48 48 LEU N N 48 120.600 120.600 120.568 0.032 25588 10842 1 14 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.070 -0.009 25588 10843 1 14 . 1 1 48 48 LEU C C 48 175.900 175.900 178.578 -2.678 25588 10844 1 14 . 1 1 48 48 LEU CA C 48 55.270 55.270 56.880 -1.609 25588 10845 1 14 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.614 -1.874 25588 10846 1 14 . 1 1 48 48 LEU H H 48 8.169 8.169 7.455 0.714 25588 10847 1 14 . 1 1 49 49 GLN N N 49 118.200 118.200 119.728 -1.528 25588 10848 1 14 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.875 -0.048 25588 10849 1 14 . 1 1 49 49 GLN C C 49 175.900 175.900 178.129 -2.229 25588 10850 1 14 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.055 -3.085 25588 10851 1 14 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.909 -2.389 25588 10852 1 14 . 1 1 49 49 GLN H H 49 8.179 8.179 8.417 -0.238 25588 10853 1 14 . 1 1 50 50 ASP N N 50 119.900 119.900 118.541 1.359 25588 10854 1 14 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.506 -0.123 25588 10855 1 14 . 1 1 50 50 ASP C C 50 175.900 175.900 177.975 -2.075 25588 10856 1 14 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.423 -1.473 25588 10857 1 14 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.924 -3.134 25588 10858 1 14 . 1 1 50 50 ASP H H 50 8.037 8.037 7.582 0.455 25588 10859 1 14 . 1 1 51 51 MET N N 51 119.300 119.300 120.921 -1.621 25588 10860 1 14 . 1 1 51 51 MET HA H 51 4.028 4.028 4.093 -0.065 25588 10861 1 14 . 1 1 51 51 MET C C 51 176.200 176.200 178.036 -1.836 25588 10862 1 14 . 1 1 51 51 MET CA C 51 56.710 56.710 59.065 -2.355 25588 10863 1 14 . 1 1 51 51 MET CB C 51 30.570 30.570 32.640 -2.070 25588 10864 1 14 . 1 1 51 51 MET H H 51 7.855 7.855 7.319 0.536 25588 10865 1 14 . 1 1 52 52 ILE N N 52 118.200 118.200 118.978 -0.778 25588 10866 1 14 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.529 -0.040 25588 10867 1 14 . 1 1 52 52 ILE C C 52 175.100 175.100 177.710 -2.610 25588 10868 1 14 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.576 -3.356 25588 10869 1 14 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.698 1.632 25588 10870 1 14 . 1 1 52 52 ILE H H 52 7.701 7.701 8.670 -0.969 25588 10871 1 14 . 1 1 53 53 ASN N N 53 117.700 117.700 117.775 -0.075 25588 10872 1 14 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.346 0.015 25588 10873 1 14 . 1 1 53 53 ASN C C 53 174.800 174.800 177.477 -2.677 25588 10874 1 14 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.817 -3.527 25588 10875 1 14 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.094 -2.654 25588 10876 1 14 . 1 1 53 53 ASN H H 53 8.529 8.529 7.830 0.699 25588 10877 1 14 . 1 1 54 54 GLU N N 54 116.400 116.400 120.059 -3.659 25588 10878 1 14 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.970 0.051 25588 10879 1 14 . 1 1 54 54 GLU C C 54 175.000 175.000 177.842 -2.842 25588 10880 1 14 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.296 -3.056 25588 10881 1 14 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.822 -1.992 25588 10882 1 14 . 1 1 54 54 GLU H H 54 7.573 7.573 7.768 -0.195 25588 10883 1 14 . 1 1 55 55 VAL N N 55 108.400 108.400 117.049 -8.649 25588 10884 1 14 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.905 0.541 25588 10885 1 14 . 1 1 55 55 VAL C C 55 173.100 173.100 177.844 -4.744 25588 10886 1 14 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.210 -7.120 25588 10887 1 14 . 1 1 55 55 VAL H H 55 7.204 7.204 7.530 -0.326 25588 10888 1 14 . 1 1 56 56 ASP N N 56 126.900 126.900 120.615 6.285 25588 10889 1 14 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.548 0.090 25588 10890 1 14 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.528 -4.478 25588 10891 1 14 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.595 -3.115 25588 10892 1 14 . 1 1 56 56 ASP H H 56 7.649 7.649 8.639 -0.990 25588 10893 1 14 . 1 1 57 57 ALA N N 57 131.900 131.900 120.691 11.209 25588 10894 1 14 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.211 -0.029 25588 10895 1 14 . 1 1 57 57 ALA C C 57 176.000 176.000 178.116 -2.116 25588 10896 1 14 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.207 -1.517 25588 10897 1 14 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.096 -1.196 25588 10898 1 14 . 1 1 57 57 ALA H H 57 8.458 8.458 7.700 0.758 25588 10899 1 14 . 1 1 58 58 ASP N N 58 113.800 113.800 118.253 -4.453 25588 10900 1 14 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.403 0.208 25588 10901 1 14 . 1 1 58 58 ASP C C 58 175.200 175.200 177.040 -1.840 25588 10902 1 14 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.678 -5.638 25588 10903 1 14 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.824 -3.624 25588 10904 1 14 . 1 1 58 58 ASP H H 58 8.125 8.125 7.575 0.550 25588 10905 1 14 . 1 1 59 59 GLY N N 59 108.400 108.400 106.847 1.553 25588 10906 1 14 . 1 1 59 59 GLY C C 59 172.500 172.500 173.322 -0.822 25588 10907 1 14 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.234 -0.574 25588 10908 1 14 . 1 1 59 59 GLY H H 59 7.550 7.550 7.838 -0.288 25588 10909 1 14 . 1 1 60 60 ASN N N 60 120.600 120.600 116.875 3.725 25588 10910 1 14 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.725 -0.238 25588 10911 1 14 . 1 1 60 60 ASN C C 60 174.800 174.800 174.762 0.038 25588 10912 1 14 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.682 -1.502 25588 10913 1 14 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.260 -1.420 25588 10914 1 14 . 1 1 60 60 ASN H H 60 8.356 8.356 8.043 0.313 25588 10915 1 14 . 1 1 61 61 GLY N N 61 113.300 113.300 106.774 6.526 25588 10916 1 14 . 1 1 61 61 GLY C C 61 171.100 171.100 173.728 -2.628 25588 10917 1 14 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.862 -3.032 25588 10918 1 14 . 1 1 61 61 GLY H H 61 10.610 10.610 8.747 1.863 25588 10919 1 14 . 1 1 62 62 THR N N 62 112.900 112.900 111.658 1.242 25588 10920 1 14 . 1 1 62 62 THR HA H 62 4.756 4.756 4.975 -0.219 25588 10921 1 14 . 1 1 62 62 THR C C 62 170.500 170.500 173.210 -2.710 25588 10922 1 14 . 1 1 62 62 THR CA C 62 57.050 57.050 59.754 -2.704 25588 10923 1 14 . 1 1 62 62 THR CB C 62 69.100 69.100 72.204 -3.104 25588 10924 1 14 . 1 1 62 62 THR H H 62 8.111 8.111 7.810 0.301 25588 10925 1 14 . 1 1 63 63 ILE N N 63 123.900 123.900 123.129 0.771 25588 10926 1 14 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.286 0.866 25588 10927 1 14 . 1 1 63 63 ILE C C 63 172.900 172.900 174.181 -1.281 25588 10928 1 14 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.404 -3.045 25588 10929 1 14 . 1 1 63 63 ILE CB C 63 36.860 36.860 42.072 -5.212 25588 10930 1 14 . 1 1 63 63 ILE H H 63 8.905 8.905 8.964 -0.059 25588 10931 1 14 . 1 1 64 64 ASP N N 64 128.200 128.200 126.278 1.922 25588 10932 1 14 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.782 0.560 25588 10933 1 14 . 1 1 64 64 ASP C C 64 173.700 173.700 177.004 -3.304 25588 10934 1 14 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.042 -4.572 25588 10935 1 14 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.692 -2.042 25588 10936 1 14 . 1 1 64 64 ASP H H 64 8.778 8.778 8.671 0.107 25588 10937 1 14 . 1 1 65 65 PHE N N 65 118.700 118.700 120.528 -1.828 25588 10938 1 14 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.641 -2.621 25588 10939 1 14 . 1 1 65 65 PHE H H 65 8.903 8.903 8.963 -0.060 25588 10940 1 14 . 1 1 66 66 PRO C C 66 177.400 177.400 179.015 -1.615 25588 10941 1 14 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.327 -2.367 25588 10942 1 14 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.375 -3.315 25588 10943 1 14 . 1 1 67 67 GLU N N 67 117.600 117.600 117.336 0.264 25588 10944 1 14 . 1 1 67 67 GLU C C 67 176.100 176.100 178.768 -2.668 25588 10945 1 14 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.784 -2.714 25588 10946 1 14 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.321 -2.571 25588 10947 1 14 . 1 1 67 67 GLU H H 67 7.894 7.894 8.614 -0.720 25588 10948 1 14 . 1 1 68 68 PHE N N 68 123.500 123.500 122.682 0.818 25588 10949 1 14 . 1 1 68 68 PHE C C 68 174.400 174.400 176.781 -2.381 25588 10950 1 14 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.831 -3.221 25588 10951 1 14 . 1 1 68 68 PHE CB C 68 37.520 37.520 39.007 -1.487 25588 10952 1 14 . 1 1 68 68 PHE H H 68 8.826 8.826 8.317 0.509 25588 10953 1 14 . 1 1 69 69 LEU N N 69 119.000 119.000 118.446 0.554 25588 10954 1 14 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.877 -0.543 25588 10955 1 14 . 1 1 69 69 LEU C C 69 176.600 176.600 179.121 -2.521 25588 10956 1 14 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.228 -2.878 25588 10957 1 14 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.604 -3.424 25588 10958 1 14 . 1 1 69 69 LEU H H 69 8.321 8.321 8.415 -0.094 25588 10959 1 14 . 1 1 70 70 THR N N 70 115.500 115.500 115.351 0.149 25588 10960 1 14 . 1 1 70 70 THR HA H 70 4.317 4.317 3.915 0.402 25588 10961 1 14 . 1 1 70 70 THR C C 70 173.400 173.400 176.273 -2.873 25588 10962 1 14 . 1 1 70 70 THR CA C 70 63.720 63.720 66.726 -3.006 25588 10963 1 14 . 1 1 70 70 THR CB C 70 65.630 65.630 68.522 -2.892 25588 10964 1 14 . 1 1 70 70 THR H H 70 7.476 7.476 7.526 -0.050 25588 10965 1 14 . 1 1 71 71 MET N N 71 121.700 121.700 121.609 0.091 25588 10966 1 14 . 1 1 71 71 MET HA H 71 3.758 3.758 3.955 -0.197 25588 10967 1 14 . 1 1 71 71 MET C C 71 175.600 175.600 177.719 -2.119 25588 10968 1 14 . 1 1 71 71 MET CA C 71 56.370 56.370 59.315 -2.945 25588 10969 1 14 . 1 1 71 71 MET CB C 71 30.590 30.590 32.513 -1.923 25588 10970 1 14 . 1 1 71 71 MET H H 71 7.774 7.774 8.452 -0.678 25588 10971 1 14 . 1 1 72 72 MET N N 72 116.900 116.900 117.326 -0.426 25588 10972 1 14 . 1 1 72 72 MET HA H 72 3.993 3.993 3.963 0.030 25588 10973 1 14 . 1 1 72 72 MET C C 72 175.900 175.900 178.468 -2.568 25588 10974 1 14 . 1 1 72 72 MET CA C 72 53.200 53.200 57.498 -4.298 25588 10975 1 14 . 1 1 72 72 MET CB C 72 28.520 28.520 31.005 -2.485 25588 10976 1 14 . 1 1 72 72 MET H H 72 8.082 8.082 8.007 0.075 25588 10977 1 14 . 1 1 73 73 ALA N N 73 122.300 122.300 122.820 -0.520 25588 10978 1 14 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.924 0.150 25588 10979 1 14 . 1 1 73 73 ALA C C 73 177.200 177.200 179.359 -2.159 25588 10980 1 14 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.054 -3.084 25588 10981 1 14 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.366 -2.626 25588 10982 1 14 . 1 1 73 73 ALA H H 73 8.149 8.149 8.038 0.111 25588 10983 1 14 . 1 1 74 74 ARG N N 74 116.600 116.600 116.918 -0.318 25588 10984 1 14 . 1 1 74 74 ARG C C 74 175.200 175.200 178.651 -3.451 25588 10985 1 14 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.867 -3.307 25588 10986 1 14 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.293 -2.643 25588 10987 1 14 . 1 1 74 74 ARG H H 74 7.564 7.564 7.852 -0.288 25588 10988 1 14 . 1 1 75 75 LYS N N 75 118.800 118.800 117.643 1.157 25588 10989 1 14 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.115 0.080 25588 10990 1 14 . 1 1 75 75 LYS C C 75 175.100 175.100 177.369 -2.269 25588 10991 1 14 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.878 -3.148 25588 10992 1 14 . 1 1 75 75 LYS H H 75 7.668 7.668 8.074 -0.406 25588 10993 1 14 . 1 1 76 76 MET N N 76 118.300 118.300 117.098 1.202 25588 10994 1 14 . 1 1 76 76 MET HA H 76 4.331 4.331 4.752 -0.421 25588 10995 1 14 . 1 1 76 76 MET C C 76 173.900 173.900 175.286 -1.386 25588 10996 1 14 . 1 1 76 76 MET CA C 76 54.010 54.010 53.290 0.720 25588 10997 1 14 . 1 1 76 76 MET H H 76 7.861 7.861 7.996 -0.135 25588 10998 1 14 . 1 1 77 77 LYS N N 77 120.200 120.200 119.986 0.214 25588 10999 1 14 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.483 -0.185 25588 11000 1 14 . 1 1 77 77 LYS C C 77 173.800 173.800 176.083 -2.283 25588 11001 1 14 . 1 1 77 77 LYS CA C 77 54.070 54.070 54.789 -0.719 25588 11002 1 14 . 1 1 77 77 LYS CB C 77 30.370 30.370 35.210 -4.840 25588 11003 1 14 . 1 1 77 77 LYS H H 77 7.797 7.797 8.096 -0.299 25588 11004 1 14 . 1 1 78 78 ASP N N 78 121.400 121.400 123.014 -1.614 25588 11005 1 14 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.453 0.220 25588 11006 1 14 . 1 1 78 78 ASP C C 78 173.900 173.900 177.230 -3.330 25588 11007 1 14 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.756 -2.856 25588 11008 1 14 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.373 -2.864 25588 11009 1 14 . 1 1 78 78 ASP H H 78 8.191 8.191 8.600 -0.409 25588 11010 1 14 . 1 1 79 79 THR N N 79 114.600 114.600 110.107 4.493 25588 11011 1 14 . 1 1 79 79 THR HA H 79 4.263 4.263 4.169 0.094 25588 11012 1 14 . 1 1 79 79 THR C C 79 171.900 171.900 175.968 -4.068 25588 11013 1 14 . 1 1 79 79 THR CA C 79 59.510 59.510 65.019 -5.509 25588 11014 1 14 . 1 1 79 79 THR CB C 79 67.090 67.090 68.785 -1.695 25588 11015 1 14 . 1 1 79 79 THR H H 79 8.063 8.063 8.305 -0.242 25588 11016 1 14 . 1 1 80 80 ASP N N 80 123.100 123.100 122.238 0.862 25588 11017 1 14 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.493 0.219 25588 11018 1 14 . 1 1 80 80 ASP C C 80 173.900 173.900 178.294 -4.394 25588 11019 1 14 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.360 -4.460 25588 11020 1 14 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.525 -0.855 25588 11021 1 14 . 1 1 80 80 ASP H H 80 8.423 8.423 8.752 -0.329 25588 11022 1 14 . 1 1 81 81 SER N N 81 116.900 116.900 116.932 -0.032 25588 11023 1 14 . 1 1 81 81 SER HA H 81 4.498 4.498 4.072 0.426 25588 11024 1 14 . 1 1 81 81 SER C C 81 172.700 172.700 175.756 -3.056 25588 11025 1 14 . 1 1 81 81 SER CA C 81 56.360 56.360 61.689 -5.329 25588 11026 1 14 . 1 1 81 81 SER CB C 81 61.310 61.310 63.114 -1.804 25588 11027 1 14 . 1 1 81 81 SER H H 81 8.357 8.357 7.687 0.670 25588 11028 1 14 . 1 1 82 82 GLU N N 82 122.800 122.800 121.172 1.628 25588 11029 1 14 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.808 0.320 25588 11030 1 14 . 1 1 82 82 GLU C C 82 175.300 175.300 177.894 -2.594 25588 11031 1 14 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.430 -3.160 25588 11032 1 14 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.518 -2.768 25588 11033 1 14 . 1 1 82 82 GLU H H 82 8.532 8.532 7.836 0.696 25588 11034 1 14 . 1 1 83 83 GLU N N 83 119.400 119.400 116.750 2.650 25588 11035 1 14 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.232 -0.198 25588 11036 1 14 . 1 1 83 83 GLU C C 83 176.000 176.000 179.779 -3.779 25588 11037 1 14 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.533 -1.463 25588 11038 1 14 . 1 1 83 83 GLU H H 83 8.365 8.365 7.993 0.372 25588 11039 1 14 . 1 1 84 84 GLU N N 84 118.700 118.700 120.931 -2.231 25588 11040 1 14 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.115 0.032 25588 11041 1 14 . 1 1 84 84 GLU C C 84 177.000 177.000 179.229 -2.229 25588 11042 1 14 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.912 -2.242 25588 11043 1 14 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.476 -2.676 25588 11044 1 14 . 1 1 84 84 GLU H H 84 8.073 8.073 7.776 0.297 25588 11045 1 14 . 1 1 85 85 ILE N N 85 122.200 122.200 119.001 3.199 25588 11046 1 14 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.690 0.304 25588 11047 1 14 . 1 1 85 85 ILE C C 85 175.300 175.300 177.464 -2.164 25588 11048 1 14 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.367 -2.237 25588 11049 1 14 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.620 -3.120 25588 11050 1 14 . 1 1 85 85 ILE H H 85 8.043 8.043 8.821 -0.778 25588 11051 1 14 . 1 1 86 86 ARG N N 86 121.700 121.700 119.876 1.824 25588 11052 1 14 . 1 1 86 86 ARG C C 86 176.700 176.700 178.941 -2.241 25588 11053 1 14 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.981 -2.621 25588 11054 1 14 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.976 -2.926 25588 11055 1 14 . 1 1 86 86 ARG H H 86 8.415 8.415 8.291 0.124 25588 11056 1 14 . 1 1 87 87 GLU N N 87 118.600 118.600 119.664 -1.064 25588 11057 1 14 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.194 -0.085 25588 11058 1 14 . 1 1 87 87 GLU C C 87 175.900 175.900 177.446 -1.546 25588 11059 1 14 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.833 -2.403 25588 11060 1 14 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.201 -2.651 25588 11061 1 14 . 1 1 87 87 GLU H H 87 8.056 8.056 7.975 0.081 25588 11062 1 14 . 1 1 88 88 ALA N N 88 122.000 122.000 120.358 1.642 25588 11063 1 14 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.300 -0.082 25588 11064 1 14 . 1 1 88 88 ALA C C 88 176.600 176.600 179.190 -2.590 25588 11065 1 14 . 1 1 88 88 ALA CA C 88 52.450 52.450 53.868 -1.418 25588 11066 1 14 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.008 -2.708 25588 11067 1 14 . 1 1 88 88 ALA H H 88 7.934 7.934 7.274 0.660 25588 11068 1 14 . 1 1 89 89 PHE N N 89 118.900 118.900 120.799 -1.899 25588 11069 1 14 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.265 -1.114 25588 11070 1 14 . 1 1 89 89 PHE C C 89 173.800 173.800 176.893 -3.093 25588 11071 1 14 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.368 -1.868 25588 11072 1 14 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.081 -2.711 25588 11073 1 14 . 1 1 89 89 PHE H H 89 8.537 8.537 7.978 0.559 25588 11074 1 14 . 1 1 90 90 ARG N N 90 115.600 115.600 118.550 -2.950 25588 11075 1 14 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.847 0.017 25588 11076 1 14 . 1 1 90 90 ARG C C 90 175.500 175.500 178.035 -2.535 25588 11077 1 14 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.128 -3.018 25588 11078 1 14 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.031 -2.381 25588 11079 1 14 . 1 1 90 90 ARG H H 90 7.656 7.656 8.130 -0.474 25588 11080 1 14 . 1 1 91 91 VAL N N 91 118.300 118.300 118.547 -0.247 25588 11081 1 14 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.688 -0.201 25588 11082 1 14 . 1 1 91 91 VAL C C 91 174.700 174.700 177.805 -3.105 25588 11083 1 14 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.979 -2.969 25588 11084 1 14 . 1 1 91 91 VAL H H 91 7.496 7.496 7.423 0.073 25588 11085 1 14 . 1 1 92 92 PHE N N 92 116.300 116.300 118.251 -1.951 25588 11086 1 14 . 1 1 92 92 PHE C C 92 174.300 174.300 175.995 -1.695 25588 11087 1 14 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.335 -2.925 25588 11088 1 14 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.797 -2.177 25588 11089 1 14 . 1 1 92 92 PHE H H 92 7.460 7.460 8.174 -0.714 25588 11090 1 14 . 1 1 93 93 ASP N N 93 116.900 116.900 117.106 -0.206 25588 11091 1 14 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.723 -0.219 25588 11092 1 14 . 1 1 93 93 ASP C C 93 174.900 174.900 175.695 -0.795 25588 11093 1 14 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.602 -3.062 25588 11094 1 14 . 1 1 93 93 ASP H H 93 7.821 7.821 7.951 -0.130 25588 11095 1 14 . 1 1 94 94 LYS N N 94 125.900 125.900 124.609 1.291 25588 11096 1 14 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.100 -0.212 25588 11097 1 14 . 1 1 94 94 LYS C C 94 175.700 175.700 177.615 -1.915 25588 11098 1 14 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.687 -2.276 25588 11099 1 14 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.612 -2.442 25588 11100 1 14 . 1 1 94 94 LYS H H 94 7.689 7.689 8.489 -0.800 25588 11101 1 14 . 1 1 95 95 ASP N N 95 114.000 114.000 116.494 -2.494 25588 11102 1 14 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.420 0.134 25588 11103 1 14 . 1 1 95 95 ASP C C 95 175.100 175.100 178.175 -3.075 25588 11104 1 14 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.678 -5.358 25588 11105 1 14 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.748 -3.758 25588 11106 1 14 . 1 1 95 95 ASP H H 95 8.179 8.179 7.935 0.244 25588 11107 1 14 . 1 1 96 96 GLY N N 96 109.300 109.300 109.141 0.159 25588 11108 1 14 . 1 1 96 96 GLY C C 96 172.500 172.500 175.720 -3.220 25588 11109 1 14 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.740 -2.240 25588 11110 1 14 . 1 1 96 96 GLY H H 96 7.765 7.765 8.650 -0.885 25588 11111 1 14 . 1 1 97 97 ASN N N 97 119.600 119.600 123.147 -3.547 25588 11112 1 14 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.564 0.080 25588 11113 1 14 . 1 1 97 97 ASN C C 97 173.400 173.400 175.785 -2.385 25588 11114 1 14 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.350 -4.280 25588 11115 1 14 . 1 1 97 97 ASN CB C 97 35.520 35.520 39.011 -3.491 25588 11116 1 14 . 1 1 97 97 ASN H H 97 8.302 8.302 8.548 -0.246 25588 11117 1 14 . 1 1 98 98 GLY N N 98 113.000 113.000 106.287 6.713 25588 11118 1 14 . 1 1 98 98 GLY C C 98 169.800 169.800 172.449 -2.649 25588 11119 1 14 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.298 -1.788 25588 11120 1 14 . 1 1 98 98 GLY H H 98 10.620 10.620 7.967 2.653 25588 11121 1 14 . 1 1 99 99 TYR N N 99 115.900 115.900 117.972 -2.072 25588 11122 1 14 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.749 0.287 25588 11123 1 14 . 1 1 99 99 TYR C C 99 171.900 171.900 175.908 -4.008 25588 11124 1 14 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.483 -3.093 25588 11125 1 14 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.068 -0.538 25588 11126 1 14 . 1 1 99 99 TYR H H 99 7.597 7.597 7.898 -0.301 25588 11127 1 14 . 1 1 100 100 ILE N N 100 127.400 127.400 124.711 2.689 25588 11128 1 14 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.312 0.467 25588 11129 1 14 . 1 1 100 100 ILE C C 100 172.900 172.900 176.230 -3.330 25588 11130 1 14 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.392 -3.732 25588 11131 1 14 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.763 -2.813 25588 11132 1 14 . 1 1 100 100 ILE H H 100 10.120 10.120 8.396 1.724 25588 11133 1 14 . 1 1 101 101 SER N N 101 123.800 123.800 123.539 0.261 25588 11134 1 14 . 1 1 101 101 SER C C 101 172.600 172.600 175.569 -2.969 25588 11135 1 14 . 1 1 101 101 SER CA C 101 53.180 53.180 56.818 -3.638 25588 11136 1 14 . 1 1 101 101 SER CB C 101 63.970 63.970 64.349 -0.379 25588 11137 1 14 . 1 1 101 101 SER H H 101 8.944 8.944 8.472 0.472 25588 11138 1 14 . 1 1 102 102 ALA N N 102 122.900 122.900 123.954 -1.054 25588 11139 1 14 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.030 -0.116 25588 11140 1 14 . 1 1 102 102 ALA C C 102 176.700 176.700 178.823 -2.123 25588 11141 1 14 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.394 -2.094 25588 11142 1 14 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.267 -2.817 25588 11143 1 14 . 1 1 102 102 ALA H H 102 9.178 9.178 8.954 0.224 25588 11144 1 14 . 1 1 103 103 ALA N N 103 118.400 118.400 120.485 -2.085 25588 11145 1 14 . 1 1 103 103 ALA C C 103 178.700 178.700 179.649 -0.949 25588 11146 1 14 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.009 -2.459 25588 11147 1 14 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.271 -2.391 25588 11148 1 14 . 1 1 103 103 ALA H H 103 8.205 8.205 8.386 -0.181 25588 11149 1 14 . 1 1 104 104 GLU N N 104 119.700 119.700 118.211 1.489 25588 11150 1 14 . 1 1 104 104 GLU C C 104 176.600 176.600 178.865 -2.265 25588 11151 1 14 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.608 -1.968 25588 11152 1 14 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.637 -2.997 25588 11153 1 14 . 1 1 104 104 GLU H H 104 7.835 7.835 7.755 0.080 25588 11154 1 14 . 1 1 105 105 LEU N N 105 121.000 121.000 121.485 -0.485 25588 11155 1 14 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.086 0.013 25588 11156 1 14 . 1 1 105 105 LEU C C 105 175.800 175.800 178.089 -2.289 25588 11157 1 14 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.785 -2.125 25588 11158 1 14 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.967 -7.407 25588 11159 1 14 . 1 1 105 105 LEU H H 105 8.571 8.571 7.980 0.591 25588 11160 1 14 . 1 1 106 106 ARG N N 106 117.500 117.500 118.681 -1.181 25588 11161 1 14 . 1 1 106 106 ARG C C 106 176.000 176.000 177.742 -1.742 25588 11162 1 14 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.365 -3.135 25588 11163 1 14 . 1 1 106 106 ARG H H 106 8.522 8.522 8.065 0.457 25588 11164 1 14 . 1 1 107 107 HIS N N 107 119.000 119.000 117.202 1.798 25588 11165 1 14 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.338 -0.052 25588 11166 1 14 . 1 1 107 107 HIS C C 107 174.900 174.900 177.486 -2.586 25588 11167 1 14 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.956 -2.866 25588 11168 1 14 . 1 1 107 107 HIS H H 107 7.889 7.889 7.902 -0.013 25588 11169 1 14 . 1 1 108 108 VAL N N 108 118.900 118.900 119.659 -0.759 25588 11170 1 14 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.672 -0.187 25588 11171 1 14 . 1 1 108 108 VAL C C 108 175.400 175.400 178.115 -2.715 25588 11172 1 14 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.118 -2.598 25588 11173 1 14 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.544 -2.344 25588 11174 1 14 . 1 1 108 108 VAL H H 108 7.958 7.958 7.404 0.554 25588 11175 1 14 . 1 1 109 109 MET N N 109 116.400 116.400 117.981 -1.581 25588 11176 1 14 . 1 1 109 109 MET HA H 109 4.331 4.331 4.183 0.148 25588 11177 1 14 . 1 1 109 109 MET C C 109 176.000 176.000 178.810 -2.810 25588 11178 1 14 . 1 1 109 109 MET CA C 109 54.910 54.910 57.738 -2.828 25588 11179 1 14 . 1 1 109 109 MET CB C 109 28.750 28.750 31.257 -2.507 25588 11180 1 14 . 1 1 109 109 MET H H 109 8.247 8.247 8.350 -0.103 25588 11181 1 14 . 1 1 110 110 THR N N 110 114.900 114.900 115.593 -0.693 25588 11182 1 14 . 1 1 110 110 THR HA H 110 4.152 4.152 3.881 0.271 25588 11183 1 14 . 1 1 110 110 THR C C 110 175.000 175.000 175.897 -0.897 25588 11184 1 14 . 1 1 110 110 THR CA C 110 63.270 63.270 65.992 -2.722 25588 11185 1 14 . 1 1 110 110 THR CB C 110 66.230 66.230 68.516 -2.286 25588 11186 1 14 . 1 1 110 110 THR H H 110 8.125 8.125 8.252 -0.127 25588 11187 1 14 . 1 1 111 111 ASN N N 111 122.200 122.200 118.485 3.715 25588 11188 1 14 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.417 0.020 25588 11189 1 14 . 1 1 111 111 ASN C C 111 173.700 173.700 177.394 -3.694 25588 11190 1 14 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.518 -2.448 25588 11191 1 14 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.412 -2.592 25588 11192 1 14 . 1 1 111 111 ASN H H 111 7.867 7.867 7.466 0.401 25588 11193 1 14 . 1 1 112 112 LEU N N 112 119.100 119.100 118.873 0.227 25588 11194 1 14 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.090 0.243 25588 11195 1 14 . 1 1 112 112 LEU C C 112 174.700 174.700 176.749 -2.049 25588 11196 1 14 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.299 -3.539 25588 11197 1 14 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.555 -3.105 25588 11198 1 14 . 1 1 112 112 LEU H H 112 7.850 7.850 7.257 0.593 25588 11199 1 14 . 1 1 113 113 GLY N N 113 106.800 106.800 103.674 3.126 25588 11200 1 14 . 1 1 113 113 GLY C C 113 171.700 171.700 172.365 -0.665 25588 11201 1 14 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.055 -2.265 25588 11202 1 14 . 1 1 113 113 GLY H H 113 7.830 7.830 7.463 0.367 25588 11203 1 14 . 1 1 114 114 GLU N N 114 120.600 120.600 119.568 1.032 25588 11204 1 14 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.629 -0.229 25588 11205 1 14 . 1 1 114 114 GLU C C 114 172.800 172.800 177.214 -4.414 25588 11206 1 14 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.164 -3.494 25588 11207 1 14 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.668 -2.708 25588 11208 1 14 . 1 1 114 114 GLU H H 114 7.914 7.914 8.686 -0.772 25588 11209 1 14 . 1 1 115 115 LYS N N 115 124.000 124.000 120.240 3.760 25588 11210 1 14 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.120 0.237 25588 11211 1 14 . 1 1 115 115 LYS C C 115 173.000 173.000 176.587 -3.587 25588 11212 1 14 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.251 -5.231 25588 11213 1 14 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.603 -3.193 25588 11214 1 14 . 1 1 115 115 LYS H H 115 8.505 8.505 8.373 0.132 25588 11215 1 14 . 1 1 116 116 LEU N N 116 125.000 125.000 117.843 7.157 25588 11216 1 14 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.401 0.358 25588 11217 1 14 . 1 1 116 116 LEU C C 116 175.300 175.300 176.958 -1.658 25588 11218 1 14 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.856 -2.436 25588 11219 1 14 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.308 -1.198 25588 11220 1 14 . 1 1 116 116 LEU H H 116 8.076 8.076 7.673 0.403 25588 11221 1 14 . 1 1 117 117 THR N N 117 114.500 114.500 111.827 2.673 25588 11222 1 14 . 1 1 117 117 THR HA H 117 4.453 4.453 4.229 0.224 25588 11223 1 14 . 1 1 117 117 THR C C 117 172.800 172.800 174.330 -1.530 25588 11224 1 14 . 1 1 117 117 THR CA C 117 57.970 57.970 62.071 -4.101 25588 11225 1 14 . 1 1 117 117 THR CB C 117 68.610 68.610 69.838 -1.228 25588 11226 1 14 . 1 1 117 117 THR H H 117 9.116 9.116 8.302 0.814 25588 11227 1 14 . 1 1 118 118 ASP N N 118 121.000 121.000 119.263 1.737 25588 11228 1 14 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.634 -0.438 25588 11229 1 14 . 1 1 118 118 ASP C C 118 175.900 175.900 177.680 -1.780 25588 11230 1 14 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.243 -0.883 25588 11231 1 14 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.942 -3.832 25588 11232 1 14 . 1 1 118 118 ASP H H 118 8.847 8.847 8.658 0.189 25588 11233 1 14 . 1 1 119 119 GLU N N 119 119.100 119.100 119.371 -0.271 25588 11234 1 14 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.357 -0.287 25588 11235 1 14 . 1 1 119 119 GLU C C 119 176.500 176.500 177.487 -0.987 25588 11236 1 14 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.793 -1.513 25588 11237 1 14 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.579 -3.149 25588 11238 1 14 . 1 1 119 119 GLU H H 119 8.626 8.626 8.386 0.240 25588 11239 1 14 . 1 1 120 120 GLU N N 120 120.500 120.500 118.628 1.872 25588 11240 1 14 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.041 -0.051 25588 11241 1 14 . 1 1 120 120 GLU C C 120 177.400 177.400 178.687 -1.287 25588 11242 1 14 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.341 -2.751 25588 11243 1 14 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.116 -0.326 25588 11244 1 14 . 1 1 120 120 GLU H H 120 7.724 7.724 8.831 -1.107 25588 11245 1 14 . 1 1 121 121 VAL N N 121 121.100 121.100 115.377 5.723 25588 11246 1 14 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.812 -0.225 25588 11247 1 14 . 1 1 121 121 VAL C C 121 174.600 174.600 177.663 -3.063 25588 11248 1 14 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.437 -1.127 25588 11249 1 14 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.180 -2.800 25588 11250 1 14 . 1 1 121 121 VAL H H 121 8.062 8.062 7.885 0.177 25588 11251 1 14 . 1 1 122 122 ASP N N 122 119.600 119.600 121.501 -1.901 25588 11252 1 14 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.317 -0.008 25588 11253 1 14 . 1 1 122 122 ASP C C 122 176.500 176.500 178.858 -2.358 25588 11254 1 14 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.302 -2.302 25588 11255 1 14 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.157 -2.257 25588 11256 1 14 . 1 1 122 122 ASP H H 122 8.007 8.007 7.723 0.284 25588 11257 1 14 . 1 1 123 123 GLU N N 123 119.300 119.300 118.844 0.456 25588 11258 1 14 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.083 -0.085 25588 11259 1 14 . 1 1 123 123 GLU C C 123 175.400 175.400 178.796 -3.396 25588 11260 1 14 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.423 -1.763 25588 11261 1 14 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.546 -2.756 25588 11262 1 14 . 1 1 123 123 GLU H H 123 7.967 7.967 8.127 -0.160 25588 11263 1 14 . 1 1 124 124 MET N N 124 119.600 119.600 120.980 -1.380 25588 11264 1 14 . 1 1 124 124 MET HA H 124 4.033 4.033 4.503 -0.470 25588 11265 1 14 . 1 1 124 124 MET C C 124 176.500 176.500 178.647 -2.147 25588 11266 1 14 . 1 1 124 124 MET CA C 124 56.970 56.970 58.486 -1.516 25588 11267 1 14 . 1 1 124 124 MET CB C 124 30.470 30.470 32.297 -1.827 25588 11268 1 14 . 1 1 124 124 MET H H 124 7.789 7.789 8.146 -0.357 25588 11269 1 14 . 1 1 125 125 ILE N N 125 118.500 118.500 116.101 2.399 25588 11270 1 14 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.729 -0.230 25588 11271 1 14 . 1 1 125 125 ILE C C 125 174.600 174.600 177.474 -2.874 25588 11272 1 14 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.806 -2.616 25588 11273 1 14 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.569 -4.059 25588 11274 1 14 . 1 1 125 125 ILE H H 125 7.940 7.940 7.872 0.068 25588 11275 1 14 . 1 1 126 126 ARG N N 126 118.300 118.300 119.179 -0.879 25588 11276 1 14 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.135 -0.127 25588 11277 1 14 . 1 1 126 126 ARG C C 126 176.800 176.800 178.406 -1.606 25588 11278 1 14 . 1 1 126 126 ARG CA C 126 57.100 57.100 58.851 -1.751 25588 11279 1 14 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.558 -2.988 25588 11280 1 14 . 1 1 126 126 ARG H H 126 8.168 8.168 7.984 0.184 25588 11281 1 14 . 1 1 127 127 GLU N N 127 116.300 116.300 119.710 -3.410 25588 11282 1 14 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.080 -0.097 25588 11283 1 14 . 1 1 127 127 GLU C C 127 174.700 174.700 177.760 -3.060 25588 11284 1 14 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.778 -2.898 25588 11285 1 14 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.489 -2.549 25588 11286 1 14 . 1 1 127 127 GLU H H 127 7.918 7.918 8.403 -0.485 25588 11287 1 14 . 1 1 128 128 ALA N N 128 119.100 119.100 120.183 -1.083 25588 11288 1 14 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.005 0.413 25588 11289 1 14 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.075 -4.565 25588 11290 1 14 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.771 -0.031 25588 11291 1 14 . 1 1 128 128 ALA H H 128 7.354 7.354 7.505 -0.151 25588 11292 1 14 . 1 1 129 129 ASP N N 129 117.400 117.400 118.232 -0.832 25588 11293 1 14 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.650 -0.148 25588 11294 1 14 . 1 1 129 129 ASP C C 129 173.400 173.400 176.606 -3.206 25588 11295 1 14 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.275 -1.865 25588 11296 1 14 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.514 -4.814 25588 11297 1 14 . 1 1 129 129 ASP H H 129 7.871 7.871 7.533 0.338 25588 11298 1 14 . 1 1 130 130 ILE N N 130 128.000 128.000 118.653 9.347 25588 11299 1 14 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.181 -0.264 25588 11300 1 14 . 1 1 130 130 ILE C C 130 175.300 175.300 176.087 -0.787 25588 11301 1 14 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.185 -0.475 25588 11302 1 14 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.676 -1.867 25588 11303 1 14 . 1 1 130 130 ILE H H 130 8.384 8.384 8.316 0.068 25588 11304 1 14 . 1 1 131 131 ASP N N 131 116.800 116.800 122.901 -6.101 25588 11305 1 14 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.522 0.028 25588 11306 1 14 . 1 1 131 131 ASP C C 131 175.600 175.600 177.692 -2.092 25588 11307 1 14 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.188 -4.968 25588 11308 1 14 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.097 -3.867 25588 11309 1 14 . 1 1 131 131 ASP H H 131 8.281 8.281 9.130 -0.849 25588 11310 1 14 . 1 1 132 132 GLY N N 132 108.500 108.500 106.592 1.908 25588 11311 1 14 . 1 1 132 132 GLY C C 132 172.600 172.600 175.047 -2.447 25588 11312 1 14 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.180 -1.330 25588 11313 1 14 . 1 1 132 132 GLY H H 132 7.575 7.575 8.655 -1.080 25588 11314 1 14 . 1 1 133 133 ASP N N 133 120.800 120.800 119.194 1.606 25588 11315 1 14 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.550 -0.086 25588 11316 1 14 . 1 1 133 133 ASP C C 133 174.900 174.900 177.114 -2.214 25588 11317 1 14 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.565 -2.575 25588 11318 1 14 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.671 -3.081 25588 11319 1 14 . 1 1 133 133 ASP H H 133 8.326 8.326 8.089 0.237 25588 11320 1 14 . 1 1 134 134 GLY N N 134 112.900 112.900 109.657 3.243 25588 11321 1 14 . 1 1 134 134 GLY C C 134 170.200 170.200 173.190 -2.990 25588 11322 1 14 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.544 -2.494 25588 11323 1 14 . 1 1 134 134 GLY H H 134 10.310 10.310 8.166 2.144 25588 11324 1 14 . 1 1 135 135 GLN N N 135 115.400 115.400 121.344 -5.944 25588 11325 1 14 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.799 0.061 25588 11326 1 14 . 1 1 135 135 GLN C C 135 172.100 172.100 173.569 -1.469 25588 11327 1 14 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.052 -3.522 25588 11328 1 14 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.957 -2.937 25588 11329 1 14 . 1 1 135 135 GLN H H 135 7.937 7.937 8.065 -0.128 25588 11330 1 14 . 1 1 136 136 VAL N N 136 125.500 125.500 121.642 3.858 25588 11331 1 14 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.618 0.572 25588 11332 1 14 . 1 1 136 136 VAL C C 136 173.200 173.200 174.582 -1.382 25588 11333 1 14 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.841 -1.741 25588 11334 1 14 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.730 -3.810 25588 11335 1 14 . 1 1 136 136 VAL H H 136 9.112 9.112 8.529 0.583 25588 11336 1 14 . 1 1 137 137 ASN N N 137 129.000 129.000 121.991 7.009 25588 11337 1 14 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.247 -0.015 25588 11338 1 14 . 1 1 137 137 ASN C C 137 172.200 172.200 174.893 -2.693 25588 11339 1 14 . 1 1 137 137 ASN CA C 137 48.460 48.460 52.124 -3.664 25588 11340 1 14 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.773 -6.083 25588 11341 1 14 . 1 1 137 137 ASN H H 137 9.509 9.509 7.838 1.671 25588 11342 1 14 . 1 1 138 138 TYR N N 138 118.400 118.400 122.679 -4.279 25588 11343 1 14 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.383 -0.959 25588 11344 1 14 . 1 1 138 138 TYR C C 138 173.500 173.500 177.207 -3.707 25588 11345 1 14 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.995 -2.965 25588 11346 1 14 . 1 1 138 138 TYR H H 138 8.420 8.420 9.268 -0.848 25588 11347 1 14 . 1 1 139 139 GLU N N 139 118.400 118.400 117.210 1.190 25588 11348 1 14 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.799 -0.158 25588 11349 1 14 . 1 1 139 139 GLU C C 139 177.900 177.900 178.889 -0.989 25588 11350 1 14 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.614 -2.874 25588 11351 1 14 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.669 -2.279 25588 11352 1 14 . 1 1 139 139 GLU H H 139 8.066 8.066 8.993 -0.927 25588 11353 1 14 . 1 1 140 140 GLU N N 140 119.900 119.900 119.231 0.669 25588 11354 1 14 . 1 1 140 140 GLU C C 140 176.700 176.700 178.703 -2.003 25588 11355 1 14 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.851 -2.951 25588 11356 1 14 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.241 -2.041 25588 11357 1 14 . 1 1 140 140 GLU H H 140 8.728 8.728 7.717 1.011 25588 11358 1 14 . 1 1 141 141 PHE N N 141 124.600 124.600 119.640 4.960 25588 11359 1 14 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.095 -0.111 25588 11360 1 14 . 1 1 141 141 PHE C C 141 174.200 174.200 177.632 -3.432 25588 11361 1 14 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.840 -2.880 25588 11362 1 14 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.380 -1.110 25588 11363 1 14 . 1 1 141 141 PHE H H 141 8.920 8.920 7.547 1.373 25588 11364 1 14 . 1 1 142 142 VAL N N 142 119.300 119.300 117.756 1.544 25588 11365 1 14 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.494 -0.373 25588 11366 1 14 . 1 1 142 142 VAL C C 142 176.900 176.900 177.034 -0.134 25588 11367 1 14 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.284 -1.854 25588 11368 1 14 . 1 1 142 142 VAL H H 142 8.536 8.536 7.576 0.960 25588 11369 1 14 . 1 1 143 143 GLN N N 143 118.200 118.200 115.901 2.299 25588 11370 1 14 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.109 -0.258 25588 11371 1 14 . 1 1 143 143 GLN C C 143 175.300 175.300 177.577 -2.277 25588 11372 1 14 . 1 1 143 143 GLN CA C 143 56.260 56.260 56.920 -0.660 25588 11373 1 14 . 1 1 143 143 GLN H H 143 7.404 7.404 7.278 0.126 25588 11374 1 14 . 1 1 144 144 MET N N 144 119.400 119.400 118.313 1.087 25588 11375 1 14 . 1 1 144 144 MET HA H 144 4.107 4.107 4.209 -0.102 25588 11376 1 14 . 1 1 144 144 MET C C 144 175.400 175.400 176.753 -1.353 25588 11377 1 14 . 1 1 144 144 MET CA C 144 55.500 55.500 58.147 -2.647 25588 11378 1 14 . 1 1 144 144 MET CB C 144 30.460 30.460 33.475 -3.015 25588 11379 1 14 . 1 1 144 144 MET H H 144 7.878 7.878 7.735 0.143 25588 11380 1 14 . 1 1 145 145 MET N N 145 115.000 115.000 119.017 -4.017 25588 11381 1 14 . 1 1 145 145 MET HA H 145 4.281 4.281 4.582 -0.301 25588 11382 1 14 . 1 1 145 145 MET C C 145 174.900 174.900 174.742 0.158 25588 11383 1 14 . 1 1 145 145 MET CA C 145 52.740 52.740 55.672 -2.933 25588 11384 1 14 . 1 1 145 145 MET H H 145 7.852 7.852 7.583 0.269 25588 11385 1 14 . 1 1 146 146 THR N N 146 111.100 111.100 116.973 -5.873 25588 11386 1 14 . 1 1 146 146 THR HA H 146 4.306 4.306 4.459 -0.153 25588 11387 1 14 . 1 1 146 146 THR C C 146 171.600 171.600 173.956 -2.356 25588 11388 1 14 . 1 1 146 146 THR CA C 146 59.830 59.830 62.346 -2.517 25588 11389 1 14 . 1 1 146 146 THR CB C 146 67.510 67.510 68.843 -1.333 25588 11390 1 14 . 1 1 146 146 THR H H 146 7.571 7.571 8.200 -0.629 25588 11391 1 14 . 1 1 147 147 ALA N N 147 126.300 126.300 127.949 -1.649 25588 11392 1 14 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.005 0.295 25588 11393 1 14 . 1 1 147 147 ALA C C 147 174.000 174.000 177.172 -3.172 25588 11394 1 14 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.464 -4.274 25588 11395 1 14 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.181 -2.701 25588 11396 1 14 . 1 1 147 147 ALA H H 147 7.723 7.723 8.217 -0.494 25588 11397 1 15 . 1 1 2 2 ASP N N 2 118.400 118.400 122.506 -4.106 25588 11398 1 15 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.870 -0.256 25588 11399 1 15 . 1 1 2 2 ASP C C 2 173.000 173.000 175.402 -2.402 25588 11400 1 15 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.211 -2.191 25588 11401 1 15 . 1 1 2 2 ASP CB C 2 38.820 38.820 40.948 -2.128 25588 11402 1 15 . 1 1 2 2 ASP H H 2 8.311 8.311 8.408 -0.097 25588 11403 1 15 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.517 -0.163 25588 11404 1 15 . 1 1 3 3 GLN C C 3 173.000 173.000 174.531 -1.531 25588 11405 1 15 . 1 1 3 3 GLN CA C 3 52.910 52.910 54.645 -1.735 25588 11406 1 15 . 1 1 3 3 GLN CB C 3 27.150 27.150 31.393 -4.243 25588 11407 1 15 . 1 1 3 3 GLN H H 3 8.321 8.321 8.437 -0.116 25588 11408 1 15 . 1 1 4 4 LEU N N 4 123.200 123.200 122.648 0.552 25588 11409 1 15 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.608 0.042 25588 11410 1 15 . 1 1 4 4 LEU C C 4 175.100 175.100 176.460 -1.360 25588 11411 1 15 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.723 -2.933 25588 11412 1 15 . 1 1 4 4 LEU CB C 4 40.860 40.860 42.667 -1.807 25588 11413 1 15 . 1 1 4 4 LEU H H 4 8.268 8.268 8.612 -0.344 25588 11414 1 15 . 1 1 5 5 THR N N 5 113.000 113.000 117.946 -4.946 25588 11415 1 15 . 1 1 5 5 THR HA H 5 4.754 4.754 4.588 0.166 25588 11416 1 15 . 1 1 5 5 THR C C 5 172.800 172.800 174.424 -1.624 25588 11417 1 15 . 1 1 5 5 THR CA C 5 57.880 57.880 60.444 -2.564 25588 11418 1 15 . 1 1 5 5 THR CB C 5 68.480 68.480 71.326 -2.846 25588 11419 1 15 . 1 1 5 5 THR H H 5 8.682 8.682 7.930 0.752 25588 11420 1 15 . 1 1 6 6 GLU N N 6 120.500 120.500 121.298 -0.798 25588 11421 1 15 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.104 -0.141 25588 11422 1 15 . 1 1 6 6 GLU C C 6 176.800 176.800 178.412 -1.612 25588 11423 1 15 . 1 1 6 6 GLU CA C 6 57.430 57.430 58.731 -1.301 25588 11424 1 15 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.749 -3.229 25588 11425 1 15 . 1 1 6 6 GLU H H 6 8.990 8.990 8.854 0.136 25588 11426 1 15 . 1 1 7 7 GLU N N 7 119.600 119.600 118.631 0.969 25588 11427 1 15 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.043 0.026 25588 11428 1 15 . 1 1 7 7 GLU C C 7 176.500 176.500 178.881 -2.381 25588 11429 1 15 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.249 -1.869 25588 11430 1 15 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.350 -2.920 25588 11431 1 15 . 1 1 7 7 GLU H H 7 8.668 8.668 8.656 0.012 25588 11432 1 15 . 1 1 8 8 GLN N N 8 120.100 120.100 118.435 1.665 25588 11433 1 15 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.075 -0.206 25588 11434 1 15 . 1 1 8 8 GLN C C 8 175.700 175.700 178.820 -3.120 25588 11435 1 15 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.534 -2.584 25588 11436 1 15 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.861 -2.051 25588 11437 1 15 . 1 1 8 8 GLN H H 8 7.721 7.721 7.635 0.086 25588 11438 1 15 . 1 1 9 9 ILE N N 9 119.600 119.600 118.910 0.690 25588 11439 1 15 . 1 1 9 9 ILE HA H 9 3.712 3.712 4.006 -0.294 25588 11440 1 15 . 1 1 9 9 ILE C C 9 175.100 175.100 177.797 -2.697 25588 11441 1 15 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.233 -0.703 25588 11442 1 15 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.811 -2.731 25588 11443 1 15 . 1 1 9 9 ILE H H 9 8.373 8.373 7.386 0.987 25588 11444 1 15 . 1 1 10 10 ALA N N 10 121.300 121.300 122.796 -1.496 25588 11445 1 15 . 1 1 10 10 ALA C C 10 178.400 178.400 179.183 -0.783 25588 11446 1 15 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.103 -2.313 25588 11447 1 15 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.898 -2.538 25588 11448 1 15 . 1 1 10 10 ALA H H 10 7.984 7.984 7.954 0.030 25588 11449 1 15 . 1 1 11 11 GLU N N 11 119.500 119.500 119.264 0.236 25588 11450 1 15 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.862 0.285 25588 11451 1 15 . 1 1 11 11 GLU C C 11 177.900 177.900 179.080 -1.180 25588 11452 1 15 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.218 -2.548 25588 11453 1 15 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.150 -2.650 25588 11454 1 15 . 1 1 11 11 GLU H H 11 7.779 7.779 7.817 -0.038 25588 11455 1 15 . 1 1 12 12 PHE N N 12 120.200 120.200 118.089 2.111 25588 11456 1 15 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.325 0.695 25588 11457 1 15 . 1 1 12 12 PHE C C 12 176.100 176.100 177.848 -1.748 25588 11458 1 15 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.365 -4.755 25588 11459 1 15 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.819 -3.539 25588 11460 1 15 . 1 1 12 12 PHE H H 12 8.562 8.562 7.667 0.895 25588 11461 1 15 . 1 1 13 13 LYS N N 13 123.500 123.500 120.217 3.283 25588 11462 1 15 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.052 -0.063 25588 11463 1 15 . 1 1 13 13 LYS C C 13 176.700 176.700 179.122 -2.422 25588 11464 1 15 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.939 -2.419 25588 11465 1 15 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.358 -3.048 25588 11466 1 15 . 1 1 13 13 LYS H H 13 9.161 9.161 7.589 1.572 25588 11467 1 15 . 1 1 14 14 GLU N N 14 120.400 120.400 118.285 2.115 25588 11468 1 15 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.149 -0.024 25588 11469 1 15 . 1 1 14 14 GLU C C 14 176.800 176.800 179.113 -2.313 25588 11470 1 15 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.925 -2.195 25588 11471 1 15 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.475 -2.875 25588 11472 1 15 . 1 1 14 14 GLU H H 14 7.786 7.786 8.580 -0.794 25588 11473 1 15 . 1 1 15 15 ALA N N 15 122.600 122.600 122.097 0.503 25588 11474 1 15 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.968 0.315 25588 11475 1 15 . 1 1 15 15 ALA C C 15 176.400 176.400 179.437 -3.037 25588 11476 1 15 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.571 -1.981 25588 11477 1 15 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.130 -2.590 25588 11478 1 15 . 1 1 15 15 ALA H H 15 7.981 7.981 8.202 -0.221 25588 11479 1 15 . 1 1 16 16 PHE N N 16 119.400 119.400 119.186 0.214 25588 11480 1 15 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.491 -1.285 25588 11481 1 15 . 1 1 16 16 PHE C C 16 174.600 174.600 177.085 -2.485 25588 11482 1 15 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.534 -2.174 25588 11483 1 15 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.363 -2.323 25588 11484 1 15 . 1 1 16 16 PHE H H 16 8.796 8.796 8.466 0.330 25588 11485 1 15 . 1 1 17 17 SER N N 17 112.600 112.600 113.678 -1.078 25588 11486 1 15 . 1 1 17 17 SER HA H 17 4.028 4.028 4.255 -0.227 25588 11487 1 15 . 1 1 17 17 SER C C 17 172.400 172.400 176.084 -3.684 25588 11488 1 15 . 1 1 17 17 SER CA C 17 58.820 58.820 60.640 -1.820 25588 11489 1 15 . 1 1 17 17 SER CB C 17 60.680 60.680 63.271 -2.591 25588 11490 1 15 . 1 1 17 17 SER H H 17 7.898 7.898 8.022 -0.124 25588 11491 1 15 . 1 1 18 18 LEU N N 18 121.000 121.000 124.172 -3.172 25588 11492 1 15 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.949 0.046 25588 11493 1 15 . 1 1 18 18 LEU C C 18 175.300 175.300 177.922 -2.622 25588 11494 1 15 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.781 -3.291 25588 11495 1 15 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.464 -2.594 25588 11496 1 15 . 1 1 18 18 LEU H H 18 7.426 7.426 7.209 0.217 25588 11497 1 15 . 1 1 19 19 PHE N N 19 115.200 115.200 115.195 0.005 25588 11498 1 15 . 1 1 19 19 PHE C C 19 174.100 174.100 178.190 -4.090 25588 11499 1 15 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.357 -4.717 25588 11500 1 15 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.491 -0.241 25588 11501 1 15 . 1 1 19 19 PHE H H 19 7.309 7.309 7.546 -0.237 25588 11502 1 15 . 1 1 20 20 ASP N N 20 117.700 117.700 118.649 -0.949 25588 11503 1 15 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.683 -0.143 25588 11504 1 15 . 1 1 20 20 ASP C C 20 174.500 174.500 178.088 -3.588 25588 11505 1 15 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.478 -4.758 25588 11506 1 15 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.947 -4.747 25588 11507 1 15 . 1 1 20 20 ASP H H 20 7.814 7.814 7.841 -0.027 25588 11508 1 15 . 1 1 21 21 LYS N N 21 124.400 124.400 119.276 5.124 25588 11509 1 15 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.881 0.073 25588 11510 1 15 . 1 1 21 21 LYS C C 21 175.500 175.500 177.607 -2.107 25588 11511 1 15 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.088 -3.198 25588 11512 1 15 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.248 -2.188 25588 11513 1 15 . 1 1 21 21 LYS H H 21 7.652 7.652 7.795 -0.143 25588 11514 1 15 . 1 1 22 22 ASP N N 22 113.900 113.900 116.991 -3.091 25588 11515 1 15 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.388 0.197 25588 11516 1 15 . 1 1 22 22 ASP C C 22 175.000 175.000 177.091 -2.091 25588 11517 1 15 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.732 -5.602 25588 11518 1 15 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.980 -4.071 25588 11519 1 15 . 1 1 22 22 ASP H H 22 8.056 8.056 7.805 0.251 25588 11520 1 15 . 1 1 23 23 GLY N N 23 109.200 109.200 109.219 -0.019 25588 11521 1 15 . 1 1 23 23 GLY C C 23 172.300 172.300 173.540 -1.240 25588 11522 1 15 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.681 -0.091 25588 11523 1 15 . 1 1 23 23 GLY H H 23 7.660 7.660 7.764 -0.104 25588 11524 1 15 . 1 1 24 24 ASP N N 24 118.600 118.600 118.301 0.299 25588 11525 1 15 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.508 0.109 25588 11526 1 15 . 1 1 24 24 ASP C C 24 174.200 174.200 175.684 -1.484 25588 11527 1 15 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.093 -5.123 25588 11528 1 15 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.060 -5.970 25588 11529 1 15 . 1 1 24 24 ASP H H 24 8.052 8.052 8.365 -0.313 25588 11530 1 15 . 1 1 25 25 GLY N N 25 113.400 113.400 107.748 5.652 25588 11531 1 15 . 1 1 25 25 GLY C C 25 170.600 170.600 173.284 -2.684 25588 11532 1 15 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.860 -1.700 25588 11533 1 15 . 1 1 25 25 GLY H H 25 10.570 10.570 7.933 2.637 25588 11534 1 15 . 1 1 26 26 THR N N 26 109.100 109.100 118.381 -9.281 25588 11535 1 15 . 1 1 26 26 THR HA H 26 5.271 5.271 4.595 0.676 25588 11536 1 15 . 1 1 26 26 THR C C 26 170.200 170.200 172.825 -2.625 25588 11537 1 15 . 1 1 26 26 THR CA C 26 57.170 57.170 62.307 -5.137 25588 11538 1 15 . 1 1 26 26 THR CB C 26 69.920 69.920 72.652 -2.732 25588 11539 1 15 . 1 1 26 26 THR H H 26 7.661 7.661 8.401 -0.740 25588 11540 1 15 . 1 1 27 27 ILE N N 27 127.100 127.100 126.269 0.831 25588 11541 1 15 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.637 0.334 25588 11542 1 15 . 1 1 27 27 ILE C C 27 173.400 173.400 174.813 -1.413 25588 11543 1 15 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.086 -2.266 25588 11544 1 15 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.668 -2.948 25588 11545 1 15 . 1 1 27 27 ILE H H 27 9.766 9.766 8.311 1.455 25588 11546 1 15 . 1 1 28 28 THR N N 28 116.500 116.500 115.893 0.607 25588 11547 1 15 . 1 1 28 28 THR HA H 28 4.802 4.802 5.017 -0.215 25588 11548 1 15 . 1 1 28 28 THR C C 28 173.900 173.900 176.096 -2.196 25588 11549 1 15 . 1 1 28 28 THR CA C 28 56.980 56.980 59.639 -2.659 25588 11550 1 15 . 1 1 28 28 THR CB C 28 69.730 69.730 72.683 -2.953 25588 11551 1 15 . 1 1 28 28 THR H H 28 8.458 8.458 7.652 0.806 25588 11552 1 15 . 1 1 29 29 THR N N 29 112.900 112.900 114.311 -1.411 25588 11553 1 15 . 1 1 29 29 THR HA H 29 4.169 4.169 3.977 0.192 25588 11554 1 15 . 1 1 29 29 THR C C 29 174.500 174.500 176.447 -1.947 25588 11555 1 15 . 1 1 29 29 THR CA C 29 63.940 63.940 66.424 -2.484 25588 11556 1 15 . 1 1 29 29 THR CB C 29 65.170 65.170 68.590 -3.420 25588 11557 1 15 . 1 1 29 29 THR H H 29 9.066 9.066 8.884 0.182 25588 11558 1 15 . 1 1 30 30 LYS N N 30 120.800 120.800 121.623 -0.823 25588 11559 1 15 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.942 0.169 25588 11560 1 15 . 1 1 30 30 LYS C C 30 177.200 177.200 178.521 -1.321 25588 11561 1 15 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.715 -3.185 25588 11562 1 15 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.089 -2.129 25588 11563 1 15 . 1 1 30 30 LYS H H 30 7.664 7.664 8.319 -0.655 25588 11564 1 15 . 1 1 31 31 GLU N N 31 121.400 121.400 119.325 2.075 25588 11565 1 15 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.045 0.020 25588 11566 1 15 . 1 1 31 31 GLU C C 31 176.500 176.500 179.663 -3.163 25588 11567 1 15 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.055 -2.475 25588 11568 1 15 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.730 -2.570 25588 11569 1 15 . 1 1 31 31 GLU H H 31 7.635 7.635 7.499 0.136 25588 11570 1 15 . 1 1 32 32 LEU N N 32 120.600 120.600 121.783 -1.183 25588 11571 1 15 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.313 -0.231 25588 11572 1 15 . 1 1 32 32 LEU C C 32 176.300 176.300 179.026 -2.726 25588 11573 1 15 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.531 -2.121 25588 11574 1 15 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.849 -1.879 25588 11575 1 15 . 1 1 32 32 LEU H H 32 8.699 8.699 7.874 0.825 25588 11576 1 15 . 1 1 33 33 GLY N N 33 105.600 105.600 104.307 1.293 25588 11577 1 15 . 1 1 33 33 GLY C C 33 172.500 172.500 176.175 -3.675 25588 11578 1 15 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.556 -1.835 25588 11579 1 15 . 1 1 33 33 GLY H H 33 8.616 8.616 8.799 -0.183 25588 11580 1 15 . 1 1 34 34 THR N N 34 118.000 118.000 119.457 -1.457 25588 11581 1 15 . 1 1 34 34 THR HA H 34 3.913 3.913 4.002 -0.089 25588 11582 1 15 . 1 1 34 34 THR C C 34 174.500 174.500 176.412 -1.912 25588 11583 1 15 . 1 1 34 34 THR CA C 34 64.250 64.250 66.446 -2.196 25588 11584 1 15 . 1 1 34 34 THR CB C 34 66.100 66.100 68.523 -2.423 25588 11585 1 15 . 1 1 34 34 THR H H 34 7.867 7.867 7.573 0.294 25588 11586 1 15 . 1 1 35 35 VAL N N 35 122.100 122.100 122.386 -0.286 25588 11587 1 15 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.710 -0.252 25588 11588 1 15 . 1 1 35 35 VAL C C 35 176.500 176.500 177.112 -0.612 25588 11589 1 15 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.858 -2.228 25588 11590 1 15 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.989 -2.869 25588 11591 1 15 . 1 1 35 35 VAL H H 35 7.613 7.613 8.239 -0.626 25588 11592 1 15 . 1 1 36 36 MET N N 36 118.400 118.400 118.181 0.219 25588 11593 1 15 . 1 1 36 36 MET HA H 36 4.095 4.095 4.050 0.045 25588 11594 1 15 . 1 1 36 36 MET C C 36 176.500 176.500 178.322 -1.822 25588 11595 1 15 . 1 1 36 36 MET CA C 36 56.420 56.420 57.666 -1.246 25588 11596 1 15 . 1 1 36 36 MET H H 36 8.440 8.440 7.510 0.930 25588 11597 1 15 . 1 1 37 37 ARG N N 37 119.000 119.000 119.226 -0.226 25588 11598 1 15 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.000 0.801 25588 11599 1 15 . 1 1 37 37 ARG C C 37 178.500 178.500 179.460 -0.960 25588 11600 1 15 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.653 -3.233 25588 11601 1 15 . 1 1 37 37 ARG H H 37 8.474 8.474 8.442 0.032 25588 11602 1 15 . 1 1 38 38 SER N N 38 118.800 118.800 116.558 2.242 25588 11603 1 15 . 1 1 38 38 SER HA H 38 4.380 4.380 4.202 0.178 25588 11604 1 15 . 1 1 38 38 SER C C 38 172.200 172.200 176.311 -4.111 25588 11605 1 15 . 1 1 38 38 SER CA C 38 58.930 58.930 61.421 -2.491 25588 11606 1 15 . 1 1 38 38 SER CB C 38 60.200 60.200 62.998 -2.799 25588 11607 1 15 . 1 1 38 38 SER H H 38 7.899 7.899 7.978 -0.079 25588 11608 1 15 . 1 1 39 39 LEU N N 39 120.600 120.600 118.578 2.022 25588 11609 1 15 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.432 0.063 25588 11610 1 15 . 1 1 39 39 LEU C C 39 174.800 174.800 177.964 -3.164 25588 11611 1 15 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.278 -2.348 25588 11612 1 15 . 1 1 39 39 LEU H H 39 7.364 7.364 7.803 -0.439 25588 11613 1 15 . 1 1 40 40 GLY N N 40 106.800 106.800 108.861 -2.061 25588 11614 1 15 . 1 1 40 40 GLY C C 40 171.700 171.700 174.254 -2.554 25588 11615 1 15 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.410 -3.440 25588 11616 1 15 . 1 1 40 40 GLY H H 40 7.862 7.862 7.932 -0.070 25588 11617 1 15 . 1 1 41 41 GLN N N 41 118.400 118.400 122.629 -4.229 25588 11618 1 15 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.468 0.012 25588 11619 1 15 . 1 1 41 41 GLN C C 41 171.400 171.400 173.309 -1.909 25588 11620 1 15 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.371 -3.481 25588 11621 1 15 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.954 -3.874 25588 11622 1 15 . 1 1 41 41 GLN H H 41 7.788 7.788 8.563 -0.775 25588 11623 1 15 . 1 1 42 42 ASN N N 42 116.300 116.300 122.143 -5.843 25588 11624 1 15 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.394 -0.201 25588 11625 1 15 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.784 -1.164 25588 11626 1 15 . 1 1 42 42 ASN H H 42 8.665 8.665 8.470 0.195 25588 11627 1 15 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.099 0.636 25588 11628 1 15 . 1 1 43 43 PRO C C 43 175.100 175.100 178.521 -3.421 25588 11629 1 15 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.678 -5.898 25588 11630 1 15 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.697 -2.307 25588 11631 1 15 . 1 1 44 44 THR N N 44 112.900 112.900 112.934 -0.034 25588 11632 1 15 . 1 1 44 44 THR HA H 44 4.707 4.707 3.963 0.744 25588 11633 1 15 . 1 1 44 44 THR C C 44 172.600 172.600 176.752 -4.152 25588 11634 1 15 . 1 1 44 44 THR CA C 44 57.830 57.830 66.630 -8.800 25588 11635 1 15 . 1 1 44 44 THR CB C 44 68.490 68.490 68.398 0.092 25588 11636 1 15 . 1 1 44 44 THR H H 44 8.702 8.702 7.946 0.756 25588 11637 1 15 . 1 1 45 45 GLU N N 45 120.800 120.800 120.205 0.595 25588 11638 1 15 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.320 -0.345 25588 11639 1 15 . 1 1 45 45 GLU C C 45 176.300 176.300 178.316 -2.016 25588 11640 1 15 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.209 -0.749 25588 11641 1 15 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.548 -3.128 25588 11642 1 15 . 1 1 45 45 GLU H H 45 8.789 8.789 8.496 0.293 25588 11643 1 15 . 1 1 46 46 ALA N N 46 120.700 120.700 124.087 -3.387 25588 11644 1 15 . 1 1 46 46 ALA HA H 46 4.089 4.089 3.987 0.102 25588 11645 1 15 . 1 1 46 46 ALA C C 46 177.700 177.700 179.563 -1.863 25588 11646 1 15 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.480 -3.070 25588 11647 1 15 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.939 -2.289 25588 11648 1 15 . 1 1 46 46 ALA H H 46 8.241 8.241 8.191 0.050 25588 11649 1 15 . 1 1 47 47 GLU N N 47 118.900 118.900 117.857 1.043 25588 11650 1 15 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.169 -0.167 25588 11651 1 15 . 1 1 47 47 GLU C C 47 177.500 177.500 179.183 -1.683 25588 11652 1 15 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.732 -2.322 25588 11653 1 15 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.728 -2.668 25588 11654 1 15 . 1 1 47 47 GLU H H 47 7.682 7.682 7.923 -0.241 25588 11655 1 15 . 1 1 48 48 LEU N N 48 120.600 120.600 119.740 0.860 25588 11656 1 15 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.077 -0.016 25588 11657 1 15 . 1 1 48 48 LEU C C 48 175.900 175.900 178.683 -2.783 25588 11658 1 15 . 1 1 48 48 LEU CA C 48 55.270 55.270 56.856 -1.586 25588 11659 1 15 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.447 -1.707 25588 11660 1 15 . 1 1 48 48 LEU H H 48 8.169 8.169 7.407 0.762 25588 11661 1 15 . 1 1 49 49 GLN N N 49 118.200 118.200 120.194 -1.994 25588 11662 1 15 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.885 -0.058 25588 11663 1 15 . 1 1 49 49 GLN C C 49 175.900 175.900 178.020 -2.120 25588 11664 1 15 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.274 -3.304 25588 11665 1 15 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.854 -2.334 25588 11666 1 15 . 1 1 49 49 GLN H H 49 8.179 8.179 8.583 -0.404 25588 11667 1 15 . 1 1 50 50 ASP N N 50 119.900 119.900 118.917 0.983 25588 11668 1 15 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.496 -0.113 25588 11669 1 15 . 1 1 50 50 ASP C C 50 175.900 175.900 178.087 -2.187 25588 11670 1 15 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.273 -1.323 25588 11671 1 15 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.691 -2.901 25588 11672 1 15 . 1 1 50 50 ASP H H 50 8.037 8.037 7.639 0.398 25588 11673 1 15 . 1 1 51 51 MET N N 51 119.300 119.300 121.001 -1.701 25588 11674 1 15 . 1 1 51 51 MET HA H 51 4.028 4.028 4.111 -0.083 25588 11675 1 15 . 1 1 51 51 MET C C 51 176.200 176.200 178.230 -2.030 25588 11676 1 15 . 1 1 51 51 MET CA C 51 56.710 56.710 59.239 -2.529 25588 11677 1 15 . 1 1 51 51 MET CB C 51 30.570 30.570 32.769 -2.199 25588 11678 1 15 . 1 1 51 51 MET H H 51 7.855 7.855 7.281 0.574 25588 11679 1 15 . 1 1 52 52 ILE N N 52 118.200 118.200 119.303 -1.103 25588 11680 1 15 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.505 -0.016 25588 11681 1 15 . 1 1 52 52 ILE C C 52 175.100 175.100 177.837 -2.737 25588 11682 1 15 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.814 -3.594 25588 11683 1 15 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.717 1.613 25588 11684 1 15 . 1 1 52 52 ILE H H 52 7.701 7.701 8.881 -1.180 25588 11685 1 15 . 1 1 53 53 ASN N N 53 117.700 117.700 117.761 -0.061 25588 11686 1 15 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.357 0.004 25588 11687 1 15 . 1 1 53 53 ASN C C 53 174.800 174.800 177.553 -2.753 25588 11688 1 15 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.526 -3.236 25588 11689 1 15 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.273 -2.833 25588 11690 1 15 . 1 1 53 53 ASN H H 53 8.529 8.529 7.844 0.685 25588 11691 1 15 . 1 1 54 54 GLU N N 54 116.400 116.400 120.251 -3.851 25588 11692 1 15 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.991 0.030 25588 11693 1 15 . 1 1 54 54 GLU C C 54 175.000 175.000 177.915 -2.915 25588 11694 1 15 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.240 -3.000 25588 11695 1 15 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.864 -2.034 25588 11696 1 15 . 1 1 54 54 GLU H H 54 7.573 7.573 8.009 -0.436 25588 11697 1 15 . 1 1 55 55 VAL N N 55 108.400 108.400 116.967 -8.567 25588 11698 1 15 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.883 0.563 25588 11699 1 15 . 1 1 55 55 VAL C C 55 173.100 173.100 177.851 -4.751 25588 11700 1 15 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.302 -7.212 25588 11701 1 15 . 1 1 55 55 VAL H H 55 7.204 7.204 7.791 -0.587 25588 11702 1 15 . 1 1 56 56 ASP N N 56 126.900 126.900 119.485 7.415 25588 11703 1 15 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.489 0.149 25588 11704 1 15 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.262 -4.212 25588 11705 1 15 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.754 -3.274 25588 11706 1 15 . 1 1 56 56 ASP H H 56 7.649 7.649 8.374 -0.725 25588 11707 1 15 . 1 1 57 57 ALA N N 57 131.900 131.900 120.909 10.991 25588 11708 1 15 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.218 -0.036 25588 11709 1 15 . 1 1 57 57 ALA C C 57 176.000 176.000 177.825 -1.825 25588 11710 1 15 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.080 -1.390 25588 11711 1 15 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.076 -1.176 25588 11712 1 15 . 1 1 57 57 ALA H H 57 8.458 8.458 7.655 0.803 25588 11713 1 15 . 1 1 58 58 ASP N N 58 113.800 113.800 118.553 -4.753 25588 11714 1 15 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.430 0.181 25588 11715 1 15 . 1 1 58 58 ASP C C 58 175.200 175.200 177.112 -1.912 25588 11716 1 15 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.187 -5.146 25588 11717 1 15 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.705 -3.505 25588 11718 1 15 . 1 1 58 58 ASP H H 58 8.125 8.125 7.638 0.487 25588 11719 1 15 . 1 1 59 59 GLY N N 59 108.400 108.400 106.960 1.440 25588 11720 1 15 . 1 1 59 59 GLY C C 59 172.500 172.500 173.399 -0.899 25588 11721 1 15 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.313 -0.653 25588 11722 1 15 . 1 1 59 59 GLY H H 59 7.550 7.550 7.727 -0.177 25588 11723 1 15 . 1 1 60 60 ASN N N 60 120.600 120.600 116.974 3.626 25588 11724 1 15 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.742 -0.255 25588 11725 1 15 . 1 1 60 60 ASN C C 60 174.800 174.800 175.347 -0.547 25588 11726 1 15 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.927 -1.747 25588 11727 1 15 . 1 1 60 60 ASN CB C 60 37.840 37.840 38.995 -1.155 25588 11728 1 15 . 1 1 60 60 ASN H H 60 8.356 8.356 7.771 0.585 25588 11729 1 15 . 1 1 61 61 GLY N N 61 113.300 113.300 107.462 5.838 25588 11730 1 15 . 1 1 61 61 GLY C C 61 171.100 171.100 173.813 -2.713 25588 11731 1 15 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.859 -3.029 25588 11732 1 15 . 1 1 61 61 GLY H H 61 10.610 10.610 8.743 1.867 25588 11733 1 15 . 1 1 62 62 THR N N 62 112.900 112.900 112.023 0.877 25588 11734 1 15 . 1 1 62 62 THR HA H 62 4.756 4.756 5.154 -0.398 25588 11735 1 15 . 1 1 62 62 THR C C 62 170.500 170.500 173.346 -2.846 25588 11736 1 15 . 1 1 62 62 THR CA C 62 57.050 57.050 59.654 -2.604 25588 11737 1 15 . 1 1 62 62 THR CB C 62 69.100 69.100 72.382 -3.282 25588 11738 1 15 . 1 1 62 62 THR H H 62 8.111 8.111 7.576 0.535 25588 11739 1 15 . 1 1 63 63 ILE N N 63 123.900 123.900 122.988 0.912 25588 11740 1 15 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.297 0.855 25588 11741 1 15 . 1 1 63 63 ILE C C 63 172.900 172.900 174.323 -1.423 25588 11742 1 15 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.482 -3.122 25588 11743 1 15 . 1 1 63 63 ILE CB C 63 36.860 36.860 42.006 -5.146 25588 11744 1 15 . 1 1 63 63 ILE H H 63 8.905 8.905 8.894 0.011 25588 11745 1 15 . 1 1 64 64 ASP N N 64 128.200 128.200 127.005 1.195 25588 11746 1 15 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.798 0.544 25588 11747 1 15 . 1 1 64 64 ASP C C 64 173.700 173.700 177.144 -3.444 25588 11748 1 15 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.894 -5.423 25588 11749 1 15 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.441 -1.791 25588 11750 1 15 . 1 1 64 64 ASP H H 64 8.778 8.778 8.826 -0.048 25588 11751 1 15 . 1 1 65 65 PHE N N 65 118.700 118.700 121.889 -3.189 25588 11752 1 15 . 1 1 65 65 PHE CA C 65 61.020 61.020 64.434 -3.414 25588 11753 1 15 . 1 1 65 65 PHE H H 65 8.903 8.903 9.235 -0.332 25588 11754 1 15 . 1 1 66 66 PRO C C 66 177.400 177.400 178.962 -1.562 25588 11755 1 15 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.502 -2.542 25588 11756 1 15 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.299 -3.239 25588 11757 1 15 . 1 1 67 67 GLU N N 67 117.600 117.600 117.296 0.304 25588 11758 1 15 . 1 1 67 67 GLU C C 67 176.100 176.100 178.859 -2.759 25588 11759 1 15 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.350 -3.280 25588 11760 1 15 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.150 -2.400 25588 11761 1 15 . 1 1 67 67 GLU H H 67 7.894 7.894 8.487 -0.593 25588 11762 1 15 . 1 1 68 68 PHE N N 68 123.500 123.500 122.026 1.474 25588 11763 1 15 . 1 1 68 68 PHE C C 68 174.400 174.400 176.848 -2.448 25588 11764 1 15 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.278 -2.668 25588 11765 1 15 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.878 -1.358 25588 11766 1 15 . 1 1 68 68 PHE H H 68 8.826 8.826 8.302 0.524 25588 11767 1 15 . 1 1 69 69 LEU N N 69 119.000 119.000 119.194 -0.194 25588 11768 1 15 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.714 -0.380 25588 11769 1 15 . 1 1 69 69 LEU C C 69 176.600 176.600 179.086 -2.486 25588 11770 1 15 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.453 -3.103 25588 11771 1 15 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.445 -3.265 25588 11772 1 15 . 1 1 69 69 LEU H H 69 8.321 8.321 8.700 -0.379 25588 11773 1 15 . 1 1 70 70 THR N N 70 115.500 115.500 114.953 0.547 25588 11774 1 15 . 1 1 70 70 THR HA H 70 4.317 4.317 3.892 0.425 25588 11775 1 15 . 1 1 70 70 THR C C 70 173.400 173.400 176.356 -2.956 25588 11776 1 15 . 1 1 70 70 THR CA C 70 63.720 63.720 66.597 -2.877 25588 11777 1 15 . 1 1 70 70 THR CB C 70 65.630 65.630 68.489 -2.859 25588 11778 1 15 . 1 1 70 70 THR H H 70 7.476 7.476 7.545 -0.069 25588 11779 1 15 . 1 1 71 71 MET N N 71 121.700 121.700 121.466 0.234 25588 11780 1 15 . 1 1 71 71 MET HA H 71 3.758 3.758 3.948 -0.190 25588 11781 1 15 . 1 1 71 71 MET C C 71 175.600 175.600 177.644 -2.044 25588 11782 1 15 . 1 1 71 71 MET CA C 71 56.370 56.370 59.261 -2.890 25588 11783 1 15 . 1 1 71 71 MET CB C 71 30.590 30.590 32.517 -1.927 25588 11784 1 15 . 1 1 71 71 MET H H 71 7.774 7.774 8.049 -0.275 25588 11785 1 15 . 1 1 72 72 MET N N 72 116.900 116.900 117.181 -0.281 25588 11786 1 15 . 1 1 72 72 MET HA H 72 3.993 3.993 3.938 0.055 25588 11787 1 15 . 1 1 72 72 MET C C 72 175.900 175.900 178.421 -2.521 25588 11788 1 15 . 1 1 72 72 MET CA C 72 53.200 53.200 57.268 -4.068 25588 11789 1 15 . 1 1 72 72 MET CB C 72 28.520 28.520 30.872 -2.352 25588 11790 1 15 . 1 1 72 72 MET H H 72 8.082 8.082 8.190 -0.108 25588 11791 1 15 . 1 1 73 73 ALA N N 73 122.300 122.300 122.376 -0.076 25588 11792 1 15 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.953 0.121 25588 11793 1 15 . 1 1 73 73 ALA C C 73 177.200 177.200 179.351 -2.151 25588 11794 1 15 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.997 -3.027 25588 11795 1 15 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.383 -2.643 25588 11796 1 15 . 1 1 73 73 ALA H H 73 8.149 8.149 8.133 0.016 25588 11797 1 15 . 1 1 74 74 ARG N N 74 116.600 116.600 117.512 -0.912 25588 11798 1 15 . 1 1 74 74 ARG C C 74 175.200 175.200 178.208 -3.008 25588 11799 1 15 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.544 -2.984 25588 11800 1 15 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.310 -2.660 25588 11801 1 15 . 1 1 74 74 ARG H H 74 7.564 7.564 7.502 0.062 25588 11802 1 15 . 1 1 75 75 LYS N N 75 118.800 118.800 116.827 1.973 25588 11803 1 15 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.156 0.039 25588 11804 1 15 . 1 1 75 75 LYS C C 75 175.100 175.100 177.542 -2.442 25588 11805 1 15 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.297 -2.567 25588 11806 1 15 . 1 1 75 75 LYS H H 75 7.668 7.668 8.118 -0.450 25588 11807 1 15 . 1 1 76 76 MET N N 76 118.300 118.300 119.147 -0.847 25588 11808 1 15 . 1 1 76 76 MET HA H 76 4.331 4.331 4.593 -0.262 25588 11809 1 15 . 1 1 76 76 MET C C 76 173.900 173.900 174.953 -1.053 25588 11810 1 15 . 1 1 76 76 MET CA C 76 54.010 54.010 52.892 1.118 25588 11811 1 15 . 1 1 76 76 MET H H 76 7.861 7.861 8.215 -0.354 25588 11812 1 15 . 1 1 77 77 LYS N N 77 120.200 120.200 123.867 -3.667 25588 11813 1 15 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.336 -0.038 25588 11814 1 15 . 1 1 77 77 LYS C C 77 173.800 173.800 176.583 -2.783 25588 11815 1 15 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.621 -1.551 25588 11816 1 15 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.721 -3.351 25588 11817 1 15 . 1 1 77 77 LYS H H 77 7.797 7.797 8.415 -0.618 25588 11818 1 15 . 1 1 78 78 ASP N N 78 121.400 121.400 124.665 -3.265 25588 11819 1 15 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.413 0.260 25588 11820 1 15 . 1 1 78 78 ASP C C 78 173.900 173.900 177.520 -3.620 25588 11821 1 15 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.864 -2.964 25588 11822 1 15 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.746 -3.236 25588 11823 1 15 . 1 1 78 78 ASP H H 78 8.191 8.191 8.608 -0.417 25588 11824 1 15 . 1 1 79 79 THR N N 79 114.600 114.600 111.849 2.751 25588 11825 1 15 . 1 1 79 79 THR HA H 79 4.263 4.263 3.975 0.288 25588 11826 1 15 . 1 1 79 79 THR C C 79 171.900 171.900 175.600 -3.700 25588 11827 1 15 . 1 1 79 79 THR CA C 79 59.510 59.510 65.353 -5.843 25588 11828 1 15 . 1 1 79 79 THR CB C 79 67.090 67.090 68.652 -1.562 25588 11829 1 15 . 1 1 79 79 THR H H 79 8.063 8.063 8.476 -0.413 25588 11830 1 15 . 1 1 80 80 ASP N N 80 123.100 123.100 121.924 1.176 25588 11831 1 15 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.496 0.216 25588 11832 1 15 . 1 1 80 80 ASP C C 80 173.900 173.900 178.198 -4.298 25588 11833 1 15 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.037 -4.137 25588 11834 1 15 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.564 -0.894 25588 11835 1 15 . 1 1 80 80 ASP H H 80 8.423 8.423 8.488 -0.065 25588 11836 1 15 . 1 1 81 81 SER N N 81 116.900 116.900 116.568 0.332 25588 11837 1 15 . 1 1 81 81 SER HA H 81 4.498 4.498 4.096 0.402 25588 11838 1 15 . 1 1 81 81 SER C C 81 172.700 172.700 175.761 -3.061 25588 11839 1 15 . 1 1 81 81 SER CA C 81 56.360 56.360 61.457 -5.097 25588 11840 1 15 . 1 1 81 81 SER CB C 81 61.310 61.310 63.032 -1.722 25588 11841 1 15 . 1 1 81 81 SER H H 81 8.357 8.357 8.269 0.088 25588 11842 1 15 . 1 1 82 82 GLU N N 82 122.800 122.800 122.176 0.624 25588 11843 1 15 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.864 0.264 25588 11844 1 15 . 1 1 82 82 GLU C C 82 175.300 175.300 178.269 -2.969 25588 11845 1 15 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.680 -3.410 25588 11846 1 15 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.491 -2.741 25588 11847 1 15 . 1 1 82 82 GLU H H 82 8.532 8.532 7.766 0.766 25588 11848 1 15 . 1 1 83 83 GLU N N 83 119.400 119.400 117.311 2.089 25588 11849 1 15 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.150 -0.116 25588 11850 1 15 . 1 1 83 83 GLU C C 83 176.000 176.000 179.485 -3.485 25588 11851 1 15 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.856 -1.786 25588 11852 1 15 . 1 1 83 83 GLU H H 83 8.365 8.365 7.666 0.699 25588 11853 1 15 . 1 1 84 84 GLU N N 84 118.700 118.700 120.273 -1.573 25588 11854 1 15 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.117 0.030 25588 11855 1 15 . 1 1 84 84 GLU C C 84 177.000 177.000 179.240 -2.240 25588 11856 1 15 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.798 -2.128 25588 11857 1 15 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.423 -2.623 25588 11858 1 15 . 1 1 84 84 GLU H H 84 8.073 8.073 7.785 0.288 25588 11859 1 15 . 1 1 85 85 ILE N N 85 122.200 122.200 119.120 3.080 25588 11860 1 15 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.763 0.231 25588 11861 1 15 . 1 1 85 85 ILE C C 85 175.300 175.300 177.310 -2.010 25588 11862 1 15 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.136 -2.006 25588 11863 1 15 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.550 -3.050 25588 11864 1 15 . 1 1 85 85 ILE H H 85 8.043 8.043 8.893 -0.850 25588 11865 1 15 . 1 1 86 86 ARG N N 86 121.700 121.700 120.249 1.451 25588 11866 1 15 . 1 1 86 86 ARG C C 86 176.700 176.700 178.327 -1.627 25588 11867 1 15 . 1 1 86 86 ARG CA C 86 57.360 57.360 60.323 -2.963 25588 11868 1 15 . 1 1 86 86 ARG CB C 86 27.050 27.050 30.102 -3.052 25588 11869 1 15 . 1 1 86 86 ARG H H 86 8.415 8.415 8.374 0.041 25588 11870 1 15 . 1 1 87 87 GLU N N 87 118.600 118.600 118.797 -0.197 25588 11871 1 15 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.169 -0.060 25588 11872 1 15 . 1 1 87 87 GLU C C 87 175.900 175.900 178.281 -2.381 25588 11873 1 15 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.921 -2.491 25588 11874 1 15 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.277 -2.727 25588 11875 1 15 . 1 1 87 87 GLU H H 87 8.056 8.056 7.804 0.252 25588 11876 1 15 . 1 1 88 88 ALA N N 88 122.000 122.000 122.306 -0.306 25588 11877 1 15 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.062 0.156 25588 11878 1 15 . 1 1 88 88 ALA C C 88 176.600 176.600 179.465 -2.865 25588 11879 1 15 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.917 -2.467 25588 11880 1 15 . 1 1 88 88 ALA CB C 88 15.300 15.300 17.840 -2.540 25588 11881 1 15 . 1 1 88 88 ALA H H 88 7.934 7.934 7.407 0.527 25588 11882 1 15 . 1 1 89 89 PHE N N 89 118.900 118.900 120.166 -1.266 25588 11883 1 15 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.206 -1.055 25588 11884 1 15 . 1 1 89 89 PHE C C 89 173.800 173.800 177.579 -3.779 25588 11885 1 15 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.965 -2.466 25588 11886 1 15 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.958 -2.588 25588 11887 1 15 . 1 1 89 89 PHE H H 89 8.537 8.537 8.081 0.456 25588 11888 1 15 . 1 1 90 90 ARG N N 90 115.600 115.600 118.882 -3.282 25588 11889 1 15 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.859 0.005 25588 11890 1 15 . 1 1 90 90 ARG C C 90 175.500 175.500 178.198 -2.698 25588 11891 1 15 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.102 -2.992 25588 11892 1 15 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.162 -2.512 25588 11893 1 15 . 1 1 90 90 ARG H H 90 7.656 7.656 7.707 -0.051 25588 11894 1 15 . 1 1 91 91 VAL N N 91 118.300 118.300 118.643 -0.343 25588 11895 1 15 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.696 -0.209 25588 11896 1 15 . 1 1 91 91 VAL C C 91 174.700 174.700 177.910 -3.210 25588 11897 1 15 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.023 -3.013 25588 11898 1 15 . 1 1 91 91 VAL H H 91 7.496 7.496 7.628 -0.132 25588 11899 1 15 . 1 1 92 92 PHE N N 92 116.300 116.300 118.414 -2.114 25588 11900 1 15 . 1 1 92 92 PHE C C 92 174.300 174.300 175.883 -1.583 25588 11901 1 15 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.371 -2.961 25588 11902 1 15 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.688 -2.068 25588 11903 1 15 . 1 1 92 92 PHE H H 92 7.460 7.460 8.505 -1.045 25588 11904 1 15 . 1 1 93 93 ASP N N 93 116.900 116.900 118.129 -1.229 25588 11905 1 15 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.615 -0.111 25588 11906 1 15 . 1 1 93 93 ASP C C 93 174.900 174.900 175.849 -0.949 25588 11907 1 15 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.512 -2.972 25588 11908 1 15 . 1 1 93 93 ASP H H 93 7.821 7.821 8.150 -0.329 25588 11909 1 15 . 1 1 94 94 LYS N N 94 125.900 125.900 124.565 1.335 25588 11910 1 15 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.130 -0.242 25588 11911 1 15 . 1 1 94 94 LYS C C 94 175.700 175.700 177.656 -1.956 25588 11912 1 15 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.459 -2.049 25588 11913 1 15 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.647 -2.477 25588 11914 1 15 . 1 1 94 94 LYS H H 94 7.689 7.689 8.391 -0.702 25588 11915 1 15 . 1 1 95 95 ASP N N 95 114.000 114.000 117.270 -3.270 25588 11916 1 15 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.391 0.163 25588 11917 1 15 . 1 1 95 95 ASP C C 95 175.100 175.100 177.737 -2.637 25588 11918 1 15 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.449 -5.129 25588 11919 1 15 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.264 -3.275 25588 11920 1 15 . 1 1 95 95 ASP H H 95 8.179 8.179 8.163 0.016 25588 11921 1 15 . 1 1 96 96 GLY N N 96 109.300 109.300 109.676 -0.376 25588 11922 1 15 . 1 1 96 96 GLY C C 96 172.500 172.500 175.719 -3.219 25588 11923 1 15 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.528 -2.028 25588 11924 1 15 . 1 1 96 96 GLY H H 96 7.765 7.765 8.196 -0.431 25588 11925 1 15 . 1 1 97 97 ASN N N 97 119.600 119.600 122.526 -2.926 25588 11926 1 15 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.485 0.159 25588 11927 1 15 . 1 1 97 97 ASN C C 97 173.400 173.400 175.697 -2.297 25588 11928 1 15 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.283 -4.213 25588 11929 1 15 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.623 -3.103 25588 11930 1 15 . 1 1 97 97 ASN H H 97 8.302 8.302 8.459 -0.157 25588 11931 1 15 . 1 1 98 98 GLY N N 98 113.000 113.000 105.610 7.390 25588 11932 1 15 . 1 1 98 98 GLY C C 98 169.800 169.800 172.365 -2.565 25588 11933 1 15 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.077 -1.567 25588 11934 1 15 . 1 1 98 98 GLY H H 98 10.620 10.620 7.395 3.225 25588 11935 1 15 . 1 1 99 99 TYR N N 99 115.900 115.900 117.559 -1.659 25588 11936 1 15 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.738 0.298 25588 11937 1 15 . 1 1 99 99 TYR C C 99 171.900 171.900 175.773 -3.873 25588 11938 1 15 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.818 -3.428 25588 11939 1 15 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.231 -0.701 25588 11940 1 15 . 1 1 99 99 TYR H H 99 7.597 7.597 7.835 -0.238 25588 11941 1 15 . 1 1 100 100 ILE N N 100 127.400 127.400 123.747 3.653 25588 11942 1 15 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.471 0.308 25588 11943 1 15 . 1 1 100 100 ILE C C 100 172.900 172.900 176.147 -3.247 25588 11944 1 15 . 1 1 100 100 ILE CA C 100 57.660 57.660 60.747 -3.087 25588 11945 1 15 . 1 1 100 100 ILE CB C 100 35.950 35.950 39.008 -3.058 25588 11946 1 15 . 1 1 100 100 ILE H H 100 10.120 10.120 8.350 1.770 25588 11947 1 15 . 1 1 101 101 SER N N 101 123.800 123.800 123.107 0.693 25588 11948 1 15 . 1 1 101 101 SER C C 101 172.600 172.600 175.564 -2.964 25588 11949 1 15 . 1 1 101 101 SER CA C 101 53.180 53.180 57.062 -3.882 25588 11950 1 15 . 1 1 101 101 SER CB C 101 63.970 63.970 64.742 -0.772 25588 11951 1 15 . 1 1 101 101 SER H H 101 8.944 8.944 8.496 0.448 25588 11952 1 15 . 1 1 102 102 ALA N N 102 122.900 122.900 123.380 -0.480 25588 11953 1 15 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.055 -0.141 25588 11954 1 15 . 1 1 102 102 ALA C C 102 176.700 176.700 178.833 -2.133 25588 11955 1 15 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.407 -2.107 25588 11956 1 15 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.231 -2.781 25588 11957 1 15 . 1 1 102 102 ALA H H 102 9.178 9.178 8.780 0.398 25588 11958 1 15 . 1 1 103 103 ALA N N 103 118.400 118.400 120.604 -2.204 25588 11959 1 15 . 1 1 103 103 ALA C C 103 178.700 178.700 179.707 -1.007 25588 11960 1 15 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.155 -2.605 25588 11961 1 15 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.215 -2.335 25588 11962 1 15 . 1 1 103 103 ALA H H 103 8.205 8.205 8.424 -0.219 25588 11963 1 15 . 1 1 104 104 GLU N N 104 119.700 119.700 118.243 1.457 25588 11964 1 15 . 1 1 104 104 GLU C C 104 176.600 176.600 178.948 -2.348 25588 11965 1 15 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.745 -2.105 25588 11966 1 15 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.590 -2.950 25588 11967 1 15 . 1 1 104 104 GLU H H 104 7.835 7.835 7.772 0.063 25588 11968 1 15 . 1 1 105 105 LEU N N 105 121.000 121.000 121.463 -0.463 25588 11969 1 15 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.111 -0.012 25588 11970 1 15 . 1 1 105 105 LEU C C 105 175.800 175.800 178.105 -2.305 25588 11971 1 15 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.761 -2.102 25588 11972 1 15 . 1 1 105 105 LEU CB C 105 34.560 34.560 42.010 -7.450 25588 11973 1 15 . 1 1 105 105 LEU H H 105 8.571 8.571 7.883 0.688 25588 11974 1 15 . 1 1 106 106 ARG N N 106 117.500 117.500 118.609 -1.109 25588 11975 1 15 . 1 1 106 106 ARG C C 106 176.000 176.000 177.801 -1.801 25588 11976 1 15 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.305 -3.075 25588 11977 1 15 . 1 1 106 106 ARG H H 106 8.522 8.522 8.263 0.259 25588 11978 1 15 . 1 1 107 107 HIS N N 107 119.000 119.000 117.058 1.942 25588 11979 1 15 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.375 -0.089 25588 11980 1 15 . 1 1 107 107 HIS C C 107 174.900 174.900 177.361 -2.461 25588 11981 1 15 . 1 1 107 107 HIS CA C 107 57.090 57.090 60.028 -2.938 25588 11982 1 15 . 1 1 107 107 HIS H H 107 7.889 7.889 7.930 -0.041 25588 11983 1 15 . 1 1 108 108 VAL N N 108 118.900 118.900 120.099 -1.199 25588 11984 1 15 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.647 -0.162 25588 11985 1 15 . 1 1 108 108 VAL C C 108 175.400 175.400 178.150 -2.750 25588 11986 1 15 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.177 -2.657 25588 11987 1 15 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.493 -2.293 25588 11988 1 15 . 1 1 108 108 VAL H H 108 7.958 7.958 7.375 0.583 25588 11989 1 15 . 1 1 109 109 MET N N 109 116.400 116.400 117.959 -1.559 25588 11990 1 15 . 1 1 109 109 MET HA H 109 4.331 4.331 4.171 0.160 25588 11991 1 15 . 1 1 109 109 MET C C 109 176.000 176.000 178.857 -2.857 25588 11992 1 15 . 1 1 109 109 MET CA C 109 54.910 54.910 58.053 -3.143 25588 11993 1 15 . 1 1 109 109 MET CB C 109 28.750 28.750 31.288 -2.538 25588 11994 1 15 . 1 1 109 109 MET H H 109 8.247 8.247 8.478 -0.231 25588 11995 1 15 . 1 1 110 110 THR N N 110 114.900 114.900 115.621 -0.721 25588 11996 1 15 . 1 1 110 110 THR HA H 110 4.152 4.152 4.177 -0.025 25588 11997 1 15 . 1 1 110 110 THR C C 110 175.000 175.000 175.852 -0.852 25588 11998 1 15 . 1 1 110 110 THR CA C 110 63.270 63.270 66.001 -2.731 25588 11999 1 15 . 1 1 110 110 THR CB C 110 66.230 66.230 68.611 -2.381 25588 12000 1 15 . 1 1 110 110 THR H H 110 8.125 8.125 8.006 0.119 25588 12001 1 15 . 1 1 111 111 ASN N N 111 122.200 122.200 118.428 3.772 25588 12002 1 15 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.399 0.038 25588 12003 1 15 . 1 1 111 111 ASN C C 111 173.700 173.700 177.537 -3.837 25588 12004 1 15 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.487 -2.417 25588 12005 1 15 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.449 -2.629 25588 12006 1 15 . 1 1 111 111 ASN H H 111 7.867 7.867 7.450 0.417 25588 12007 1 15 . 1 1 112 112 LEU N N 112 119.100 119.100 118.939 0.161 25588 12008 1 15 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.087 0.246 25588 12009 1 15 . 1 1 112 112 LEU C C 112 174.700 174.700 176.910 -2.210 25588 12010 1 15 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.535 -3.775 25588 12011 1 15 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.650 -3.200 25588 12012 1 15 . 1 1 112 112 LEU H H 112 7.850 7.850 7.347 0.503 25588 12013 1 15 . 1 1 113 113 GLY N N 113 106.800 106.800 104.095 2.705 25588 12014 1 15 . 1 1 113 113 GLY C C 113 171.700 171.700 172.223 -0.523 25588 12015 1 15 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.087 -2.297 25588 12016 1 15 . 1 1 113 113 GLY H H 113 7.830 7.830 7.453 0.377 25588 12017 1 15 . 1 1 114 114 GLU N N 114 120.600 120.600 119.738 0.862 25588 12018 1 15 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.666 -0.266 25588 12019 1 15 . 1 1 114 114 GLU C C 114 172.800 172.800 177.131 -4.331 25588 12020 1 15 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.036 -3.366 25588 12021 1 15 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.258 -2.297 25588 12022 1 15 . 1 1 114 114 GLU H H 114 7.914 7.914 8.668 -0.754 25588 12023 1 15 . 1 1 115 115 LYS N N 115 124.000 124.000 119.602 4.398 25588 12024 1 15 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.149 0.208 25588 12025 1 15 . 1 1 115 115 LYS C C 115 173.000 173.000 176.281 -3.281 25588 12026 1 15 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.502 -5.482 25588 12027 1 15 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.907 -3.497 25588 12028 1 15 . 1 1 115 115 LYS H H 115 8.505 8.505 8.470 0.035 25588 12029 1 15 . 1 1 116 116 LEU N N 116 125.000 125.000 116.929 8.071 25588 12030 1 15 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.580 0.179 25588 12031 1 15 . 1 1 116 116 LEU C C 116 175.300 175.300 176.669 -1.369 25588 12032 1 15 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.786 -1.366 25588 12033 1 15 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.974 -1.864 25588 12034 1 15 . 1 1 116 116 LEU H H 116 8.076 8.076 7.672 0.404 25588 12035 1 15 . 1 1 117 117 THR N N 117 114.500 114.500 111.126 3.374 25588 12036 1 15 . 1 1 117 117 THR HA H 117 4.453 4.453 4.252 0.201 25588 12037 1 15 . 1 1 117 117 THR C C 117 172.800 172.800 174.342 -1.542 25588 12038 1 15 . 1 1 117 117 THR CA C 117 57.970 57.970 61.859 -3.889 25588 12039 1 15 . 1 1 117 117 THR CB C 117 68.610 68.610 69.919 -1.309 25588 12040 1 15 . 1 1 117 117 THR H H 117 9.116 9.116 8.300 0.816 25588 12041 1 15 . 1 1 118 118 ASP N N 118 121.000 121.000 119.054 1.946 25588 12042 1 15 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.645 -0.449 25588 12043 1 15 . 1 1 118 118 ASP C C 118 175.900 175.900 177.721 -1.821 25588 12044 1 15 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.166 -0.806 25588 12045 1 15 . 1 1 118 118 ASP CB C 118 37.110 37.110 41.015 -3.905 25588 12046 1 15 . 1 1 118 118 ASP H H 118 8.847 8.847 8.624 0.223 25588 12047 1 15 . 1 1 119 119 GLU N N 119 119.100 119.100 119.362 -0.262 25588 12048 1 15 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.435 -0.365 25588 12049 1 15 . 1 1 119 119 GLU C C 119 176.500 176.500 177.530 -1.030 25588 12050 1 15 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.613 -1.333 25588 12051 1 15 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.559 -3.129 25588 12052 1 15 . 1 1 119 119 GLU H H 119 8.626 8.626 8.456 0.170 25588 12053 1 15 . 1 1 120 120 GLU N N 120 120.500 120.500 118.461 2.039 25588 12054 1 15 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.045 -0.055 25588 12055 1 15 . 1 1 120 120 GLU C C 120 177.400 177.400 178.687 -1.287 25588 12056 1 15 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.387 -2.797 25588 12057 1 15 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.134 -0.344 25588 12058 1 15 . 1 1 120 120 GLU H H 120 7.724 7.724 8.835 -1.111 25588 12059 1 15 . 1 1 121 121 VAL N N 121 121.100 121.100 115.456 5.644 25588 12060 1 15 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.771 -0.184 25588 12061 1 15 . 1 1 121 121 VAL C C 121 174.600 174.600 177.621 -3.021 25588 12062 1 15 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.823 -1.513 25588 12063 1 15 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.424 -3.044 25588 12064 1 15 . 1 1 121 121 VAL H H 121 8.062 8.062 7.759 0.303 25588 12065 1 15 . 1 1 122 122 ASP N N 122 119.600 119.600 121.467 -1.867 25588 12066 1 15 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.268 0.041 25588 12067 1 15 . 1 1 122 122 ASP C C 122 176.500 176.500 179.040 -2.540 25588 12068 1 15 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.402 -2.402 25588 12069 1 15 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.047 -2.147 25588 12070 1 15 . 1 1 122 122 ASP H H 122 8.007 8.007 7.890 0.117 25588 12071 1 15 . 1 1 123 123 GLU N N 123 119.300 119.300 119.095 0.205 25588 12072 1 15 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.107 -0.109 25588 12073 1 15 . 1 1 123 123 GLU C C 123 175.400 175.400 178.887 -3.487 25588 12074 1 15 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.388 -1.728 25588 12075 1 15 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.465 -2.675 25588 12076 1 15 . 1 1 123 123 GLU H H 123 7.967 7.967 8.061 -0.094 25588 12077 1 15 . 1 1 124 124 MET N N 124 119.600 119.600 121.245 -1.645 25588 12078 1 15 . 1 1 124 124 MET HA H 124 4.033 4.033 4.363 -0.330 25588 12079 1 15 . 1 1 124 124 MET C C 124 176.500 176.500 178.701 -2.201 25588 12080 1 15 . 1 1 124 124 MET CA C 124 56.970 56.970 58.456 -1.486 25588 12081 1 15 . 1 1 124 124 MET CB C 124 30.470 30.470 32.363 -1.893 25588 12082 1 15 . 1 1 124 124 MET H H 124 7.789 7.789 8.164 -0.375 25588 12083 1 15 . 1 1 125 125 ILE N N 125 118.500 118.500 116.729 1.771 25588 12084 1 15 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.798 -0.299 25588 12085 1 15 . 1 1 125 125 ILE C C 125 174.600 174.600 177.374 -2.774 25588 12086 1 15 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.464 -2.274 25588 12087 1 15 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.641 -4.131 25588 12088 1 15 . 1 1 125 125 ILE H H 125 7.940 7.940 8.361 -0.421 25588 12089 1 15 . 1 1 126 126 ARG N N 126 118.300 118.300 119.628 -1.328 25588 12090 1 15 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.097 -0.089 25588 12091 1 15 . 1 1 126 126 ARG C C 126 176.800 176.800 178.152 -1.352 25588 12092 1 15 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.007 -1.907 25588 12093 1 15 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.664 -3.094 25588 12094 1 15 . 1 1 126 126 ARG H H 126 8.168 8.168 7.490 0.678 25588 12095 1 15 . 1 1 127 127 GLU N N 127 116.300 116.300 118.951 -2.651 25588 12096 1 15 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.182 -0.199 25588 12097 1 15 . 1 1 127 127 GLU C C 127 174.700 174.700 177.898 -3.198 25588 12098 1 15 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.688 -2.808 25588 12099 1 15 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.755 -2.814 25588 12100 1 15 . 1 1 127 127 GLU H H 127 7.918 7.918 8.396 -0.478 25588 12101 1 15 . 1 1 128 128 ALA N N 128 119.100 119.100 120.853 -1.753 25588 12102 1 15 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.008 0.410 25588 12103 1 15 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.129 -4.619 25588 12104 1 15 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.971 -0.232 25588 12105 1 15 . 1 1 128 128 ALA H H 128 7.354 7.354 7.582 -0.228 25588 12106 1 15 . 1 1 129 129 ASP N N 129 117.400 117.400 118.266 -0.866 25588 12107 1 15 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.643 -0.141 25588 12108 1 15 . 1 1 129 129 ASP C C 129 173.400 173.400 176.528 -3.128 25588 12109 1 15 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.274 -1.864 25588 12110 1 15 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.108 -4.408 25588 12111 1 15 . 1 1 129 129 ASP H H 129 7.871 7.871 7.683 0.188 25588 12112 1 15 . 1 1 130 130 ILE N N 130 128.000 128.000 119.747 8.253 25588 12113 1 15 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.122 -0.205 25588 12114 1 15 . 1 1 130 130 ILE C C 130 175.300 175.300 176.241 -0.941 25588 12115 1 15 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.031 -0.320 25588 12116 1 15 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.380 -1.570 25588 12117 1 15 . 1 1 130 130 ILE H H 130 8.384 8.384 8.408 -0.024 25588 12118 1 15 . 1 1 131 131 ASP N N 131 116.800 116.800 122.341 -5.541 25588 12119 1 15 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.467 0.083 25588 12120 1 15 . 1 1 131 131 ASP C C 131 175.600 175.600 177.758 -2.158 25588 12121 1 15 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.365 -5.145 25588 12122 1 15 . 1 1 131 131 ASP CB C 131 37.230 37.230 40.821 -3.591 25588 12123 1 15 . 1 1 131 131 ASP H H 131 8.281 8.281 8.798 -0.517 25588 12124 1 15 . 1 1 132 132 GLY N N 132 108.500 108.500 108.418 0.082 25588 12125 1 15 . 1 1 132 132 GLY C C 132 172.600 172.600 174.863 -2.263 25588 12126 1 15 . 1 1 132 132 GLY CA C 132 44.850 44.850 45.739 -0.888 25588 12127 1 15 . 1 1 132 132 GLY H H 132 7.575 7.575 8.185 -0.610 25588 12128 1 15 . 1 1 133 133 ASP N N 133 120.800 120.800 118.817 1.983 25588 12129 1 15 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.558 -0.094 25588 12130 1 15 . 1 1 133 133 ASP C C 133 174.900 174.900 176.984 -2.084 25588 12131 1 15 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.730 -2.740 25588 12132 1 15 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.297 -2.707 25588 12133 1 15 . 1 1 133 133 ASP H H 133 8.326 8.326 8.090 0.236 25588 12134 1 15 . 1 1 134 134 GLY N N 134 112.900 112.900 109.048 3.852 25588 12135 1 15 . 1 1 134 134 GLY C C 134 170.200 170.200 173.311 -3.111 25588 12136 1 15 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.984 -2.934 25588 12137 1 15 . 1 1 134 134 GLY H H 134 10.310 10.310 8.418 1.892 25588 12138 1 15 . 1 1 135 135 GLN N N 135 115.400 115.400 122.171 -6.771 25588 12139 1 15 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.602 0.258 25588 12140 1 15 . 1 1 135 135 GLN C C 135 172.100 172.100 173.697 -1.597 25588 12141 1 15 . 1 1 135 135 GLN CA C 135 50.530 50.530 53.956 -3.426 25588 12142 1 15 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.197 -2.178 25588 12143 1 15 . 1 1 135 135 GLN H H 135 7.937 7.937 8.171 -0.234 25588 12144 1 15 . 1 1 136 136 VAL N N 136 125.500 125.500 122.798 2.702 25588 12145 1 15 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.566 0.624 25588 12146 1 15 . 1 1 136 136 VAL C C 136 173.200 173.200 174.883 -1.683 25588 12147 1 15 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.808 -1.708 25588 12148 1 15 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.058 -3.138 25588 12149 1 15 . 1 1 136 136 VAL H H 136 9.112 9.112 8.487 0.625 25588 12150 1 15 . 1 1 137 137 ASN N N 137 129.000 129.000 122.967 6.033 25588 12151 1 15 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.247 -0.015 25588 12152 1 15 . 1 1 137 137 ASN C C 137 172.200 172.200 174.974 -2.774 25588 12153 1 15 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.925 -3.465 25588 12154 1 15 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.868 -6.178 25588 12155 1 15 . 1 1 137 137 ASN H H 137 9.509 9.509 7.861 1.648 25588 12156 1 15 . 1 1 138 138 TYR N N 138 118.400 118.400 122.953 -4.553 25588 12157 1 15 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.441 -1.017 25588 12158 1 15 . 1 1 138 138 TYR C C 138 173.500 173.500 177.107 -3.607 25588 12159 1 15 . 1 1 138 138 TYR CA C 138 60.030 60.030 63.018 -2.988 25588 12160 1 15 . 1 1 138 138 TYR H H 138 8.420 8.420 9.238 -0.818 25588 12161 1 15 . 1 1 139 139 GLU N N 139 118.400 118.400 116.302 2.098 25588 12162 1 15 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.936 -0.295 25588 12163 1 15 . 1 1 139 139 GLU C C 139 177.900 177.900 179.045 -1.145 25588 12164 1 15 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.015 -2.275 25588 12165 1 15 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.546 -2.156 25588 12166 1 15 . 1 1 139 139 GLU H H 139 8.066 8.066 9.208 -1.142 25588 12167 1 15 . 1 1 140 140 GLU N N 140 119.900 119.900 119.635 0.265 25588 12168 1 15 . 1 1 140 140 GLU C C 140 176.700 176.700 178.310 -1.610 25588 12169 1 15 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.104 -2.204 25588 12170 1 15 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.735 -2.534 25588 12171 1 15 . 1 1 140 140 GLU H H 140 8.728 8.728 7.505 1.223 25588 12172 1 15 . 1 1 141 141 PHE N N 141 124.600 124.600 120.746 3.854 25588 12173 1 15 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.155 -0.171 25588 12174 1 15 . 1 1 141 141 PHE C C 141 174.200 174.200 177.501 -3.301 25588 12175 1 15 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.111 -3.151 25588 12176 1 15 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.534 -1.264 25588 12177 1 15 . 1 1 141 141 PHE H H 141 8.920 8.920 7.814 1.106 25588 12178 1 15 . 1 1 142 142 VAL N N 142 119.300 119.300 117.518 1.782 25588 12179 1 15 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.514 -0.393 25588 12180 1 15 . 1 1 142 142 VAL C C 142 176.900 176.900 177.416 -0.516 25588 12181 1 15 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.437 -2.007 25588 12182 1 15 . 1 1 142 142 VAL H H 142 8.536 8.536 7.539 0.997 25588 12183 1 15 . 1 1 143 143 GLN N N 143 118.200 118.200 117.286 0.914 25588 12184 1 15 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.066 -0.215 25588 12185 1 15 . 1 1 143 143 GLN C C 143 175.300 175.300 177.951 -2.651 25588 12186 1 15 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.779 -1.519 25588 12187 1 15 . 1 1 143 143 GLN H H 143 7.404 7.404 7.423 -0.019 25588 12188 1 15 . 1 1 144 144 MET N N 144 119.400 119.400 118.700 0.700 25588 12189 1 15 . 1 1 144 144 MET HA H 144 4.107 4.107 4.242 -0.135 25588 12190 1 15 . 1 1 144 144 MET C C 144 175.400 175.400 176.727 -1.327 25588 12191 1 15 . 1 1 144 144 MET CA C 144 55.500 55.500 58.302 -2.802 25588 12192 1 15 . 1 1 144 144 MET CB C 144 30.460 30.460 33.615 -3.155 25588 12193 1 15 . 1 1 144 144 MET H H 144 7.878 7.878 7.890 -0.012 25588 12194 1 15 . 1 1 145 145 MET N N 145 115.000 115.000 118.437 -3.437 25588 12195 1 15 . 1 1 145 145 MET HA H 145 4.281 4.281 4.478 -0.197 25588 12196 1 15 . 1 1 145 145 MET C C 145 174.900 174.900 174.776 0.124 25588 12197 1 15 . 1 1 145 145 MET CA C 145 52.740 52.740 56.196 -3.456 25588 12198 1 15 . 1 1 145 145 MET H H 145 7.852 7.852 7.923 -0.071 25588 12199 1 15 . 1 1 146 146 THR N N 146 111.100 111.100 120.320 -9.220 25588 12200 1 15 . 1 1 146 146 THR HA H 146 4.306 4.306 4.449 -0.143 25588 12201 1 15 . 1 1 146 146 THR C C 146 171.600 171.600 173.277 -1.677 25588 12202 1 15 . 1 1 146 146 THR CA C 146 59.830 59.830 62.572 -2.742 25588 12203 1 15 . 1 1 146 146 THR CB C 146 67.510 67.510 69.647 -2.138 25588 12204 1 15 . 1 1 146 146 THR H H 146 7.571 7.571 8.413 -0.842 25588 12205 1 15 . 1 1 147 147 ALA N N 147 126.300 126.300 129.401 -3.101 25588 12206 1 15 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.037 0.263 25588 12207 1 15 . 1 1 147 147 ALA C C 147 174.000 174.000 176.909 -2.909 25588 12208 1 15 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.316 -4.126 25588 12209 1 15 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.413 -2.933 25588 12210 1 15 . 1 1 147 147 ALA H H 147 7.723 7.723 8.085 -0.362 25588 12211 1 16 . 1 1 2 2 ASP N N 2 118.400 118.400 120.694 -2.294 25588 12212 1 16 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.736 -0.122 25588 12213 1 16 . 1 1 2 2 ASP C C 2 173.000 173.000 176.476 -3.476 25588 12214 1 16 . 1 1 2 2 ASP CA C 2 52.020 52.020 53.942 -1.922 25588 12215 1 16 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.326 -2.506 25588 12216 1 16 . 1 1 2 2 ASP H H 2 8.311 8.311 8.476 -0.165 25588 12217 1 16 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.235 0.119 25588 12218 1 16 . 1 1 3 3 GLN C C 3 173.000 173.000 175.982 -2.982 25588 12219 1 16 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.433 -3.523 25588 12220 1 16 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.565 -2.415 25588 12221 1 16 . 1 1 3 3 GLN H H 3 8.321 8.321 8.615 -0.294 25588 12222 1 16 . 1 1 4 4 LEU N N 4 123.200 123.200 121.494 1.706 25588 12223 1 16 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.866 -0.216 25588 12224 1 16 . 1 1 4 4 LEU C C 4 175.100 175.100 175.959 -0.859 25588 12225 1 16 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.209 -2.419 25588 12226 1 16 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.444 -2.584 25588 12227 1 16 . 1 1 4 4 LEU H H 4 8.268 8.268 7.640 0.628 25588 12228 1 16 . 1 1 5 5 THR N N 5 113.000 113.000 115.964 -2.964 25588 12229 1 16 . 1 1 5 5 THR HA H 5 4.754 4.754 4.663 0.091 25588 12230 1 16 . 1 1 5 5 THR C C 5 172.800 172.800 174.789 -1.989 25588 12231 1 16 . 1 1 5 5 THR CA C 5 57.880 57.880 59.907 -2.027 25588 12232 1 16 . 1 1 5 5 THR CB C 5 68.480 68.480 71.965 -3.485 25588 12233 1 16 . 1 1 5 5 THR H H 5 8.682 8.682 8.452 0.230 25588 12234 1 16 . 1 1 6 6 GLU N N 6 120.500 120.500 122.542 -2.042 25588 12235 1 16 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.013 -0.050 25588 12236 1 16 . 1 1 6 6 GLU C C 6 176.800 176.800 178.312 -1.512 25588 12237 1 16 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.784 -2.354 25588 12238 1 16 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.719 -3.199 25588 12239 1 16 . 1 1 6 6 GLU H H 6 8.990 8.990 8.995 -0.005 25588 12240 1 16 . 1 1 7 7 GLU N N 7 119.600 119.600 118.887 0.713 25588 12241 1 16 . 1 1 7 7 GLU HA H 7 4.069 4.069 3.965 0.104 25588 12242 1 16 . 1 1 7 7 GLU C C 7 176.500 176.500 179.059 -2.559 25588 12243 1 16 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.428 -2.048 25588 12244 1 16 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.273 -2.844 25588 12245 1 16 . 1 1 7 7 GLU H H 7 8.668 8.668 8.585 0.083 25588 12246 1 16 . 1 1 8 8 GLN N N 8 120.100 120.100 117.989 2.111 25588 12247 1 16 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.048 -0.179 25588 12248 1 16 . 1 1 8 8 GLN C C 8 175.700 175.700 178.790 -3.090 25588 12249 1 16 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.826 -2.876 25588 12250 1 16 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.680 -1.870 25588 12251 1 16 . 1 1 8 8 GLN H H 8 7.721 7.721 7.594 0.127 25588 12252 1 16 . 1 1 9 9 ILE N N 9 119.600 119.600 119.046 0.554 25588 12253 1 16 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.948 -0.236 25588 12254 1 16 . 1 1 9 9 ILE C C 9 175.100 175.100 177.840 -2.740 25588 12255 1 16 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.298 -0.768 25588 12256 1 16 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.766 -2.686 25588 12257 1 16 . 1 1 9 9 ILE H H 9 8.373 8.373 7.293 1.080 25588 12258 1 16 . 1 1 10 10 ALA N N 10 121.300 121.300 122.262 -0.962 25588 12259 1 16 . 1 1 10 10 ALA C C 10 178.400 178.400 179.264 -0.864 25588 12260 1 16 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.235 -2.445 25588 12261 1 16 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.915 -2.555 25588 12262 1 16 . 1 1 10 10 ALA H H 10 7.984 7.984 8.269 -0.285 25588 12263 1 16 . 1 1 11 11 GLU N N 11 119.500 119.500 119.230 0.270 25588 12264 1 16 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.858 0.289 25588 12265 1 16 . 1 1 11 11 GLU C C 11 177.900 177.900 179.055 -1.155 25588 12266 1 16 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.167 -2.497 25588 12267 1 16 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.166 -2.666 25588 12268 1 16 . 1 1 11 11 GLU H H 11 7.779 7.779 7.749 0.030 25588 12269 1 16 . 1 1 12 12 PHE N N 12 120.200 120.200 118.147 2.053 25588 12270 1 16 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.310 0.710 25588 12271 1 16 . 1 1 12 12 PHE C C 12 176.100 176.100 177.904 -1.804 25588 12272 1 16 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.097 -4.487 25588 12273 1 16 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.812 -3.532 25588 12274 1 16 . 1 1 12 12 PHE H H 12 8.562 8.562 7.703 0.859 25588 12275 1 16 . 1 1 13 13 LYS N N 13 123.500 123.500 120.064 3.436 25588 12276 1 16 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.072 -0.083 25588 12277 1 16 . 1 1 13 13 LYS C C 13 176.700 176.700 179.118 -2.418 25588 12278 1 16 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.776 -2.256 25588 12279 1 16 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.399 -3.089 25588 12280 1 16 . 1 1 13 13 LYS H H 13 9.161 9.161 7.537 1.624 25588 12281 1 16 . 1 1 14 14 GLU N N 14 120.400 120.400 118.336 2.064 25588 12282 1 16 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.160 -0.035 25588 12283 1 16 . 1 1 14 14 GLU C C 14 176.800 176.800 179.018 -2.218 25588 12284 1 16 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.814 -2.084 25588 12285 1 16 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.413 -2.813 25588 12286 1 16 . 1 1 14 14 GLU H H 14 7.786 7.786 8.406 -0.620 25588 12287 1 16 . 1 1 15 15 ALA N N 15 122.600 122.600 121.794 0.806 25588 12288 1 16 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.946 0.337 25588 12289 1 16 . 1 1 15 15 ALA C C 15 176.400 176.400 179.194 -2.794 25588 12290 1 16 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.827 -2.237 25588 12291 1 16 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.095 -2.555 25588 12292 1 16 . 1 1 15 15 ALA H H 15 7.981 7.981 8.022 -0.041 25588 12293 1 16 . 1 1 16 16 PHE N N 16 119.400 119.400 118.093 1.307 25588 12294 1 16 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.496 -1.290 25588 12295 1 16 . 1 1 16 16 PHE C C 16 174.600 174.600 177.361 -2.761 25588 12296 1 16 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.877 -2.517 25588 12297 1 16 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.331 -2.291 25588 12298 1 16 . 1 1 16 16 PHE H H 16 8.796 8.796 7.704 1.092 25588 12299 1 16 . 1 1 17 17 SER N N 17 112.600 112.600 114.541 -1.941 25588 12300 1 16 . 1 1 17 17 SER HA H 17 4.028 4.028 4.369 -0.341 25588 12301 1 16 . 1 1 17 17 SER C C 17 172.400 172.400 175.910 -3.510 25588 12302 1 16 . 1 1 17 17 SER CA C 17 58.820 58.820 61.292 -2.472 25588 12303 1 16 . 1 1 17 17 SER CB C 17 60.680 60.680 63.351 -2.671 25588 12304 1 16 . 1 1 17 17 SER H H 17 7.898 7.898 7.923 -0.025 25588 12305 1 16 . 1 1 18 18 LEU N N 18 121.000 121.000 123.828 -2.828 25588 12306 1 16 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.915 0.080 25588 12307 1 16 . 1 1 18 18 LEU C C 18 175.300 175.300 177.651 -2.351 25588 12308 1 16 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.754 -3.264 25588 12309 1 16 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.406 -2.536 25588 12310 1 16 . 1 1 18 18 LEU H H 18 7.426 7.426 7.353 0.073 25588 12311 1 16 . 1 1 19 19 PHE N N 19 115.200 115.200 115.554 -0.354 25588 12312 1 16 . 1 1 19 19 PHE C C 19 174.100 174.100 178.142 -4.042 25588 12313 1 16 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.540 -4.900 25588 12314 1 16 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.298 -0.048 25588 12315 1 16 . 1 1 19 19 PHE H H 19 7.309 7.309 7.445 -0.136 25588 12316 1 16 . 1 1 20 20 ASP N N 20 117.700 117.700 118.627 -0.927 25588 12317 1 16 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.552 -0.012 25588 12318 1 16 . 1 1 20 20 ASP C C 20 174.500 174.500 178.202 -3.702 25588 12319 1 16 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.678 -4.958 25588 12320 1 16 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.883 -4.683 25588 12321 1 16 . 1 1 20 20 ASP H H 20 7.814 7.814 7.780 0.034 25588 12322 1 16 . 1 1 21 21 LYS N N 21 124.400 124.400 119.215 5.185 25588 12323 1 16 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.917 0.037 25588 12324 1 16 . 1 1 21 21 LYS C C 21 175.500 175.500 177.668 -2.168 25588 12325 1 16 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.033 -3.143 25588 12326 1 16 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.269 -2.209 25588 12327 1 16 . 1 1 21 21 LYS H H 21 7.652 7.652 7.765 -0.113 25588 12328 1 16 . 1 1 22 22 ASP N N 22 113.900 113.900 117.036 -3.136 25588 12329 1 16 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.386 0.199 25588 12330 1 16 . 1 1 22 22 ASP C C 22 175.000 175.000 177.090 -2.090 25588 12331 1 16 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.713 -5.583 25588 12332 1 16 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.963 -4.053 25588 12333 1 16 . 1 1 22 22 ASP H H 22 8.056 8.056 7.730 0.326 25588 12334 1 16 . 1 1 23 23 GLY N N 23 109.200 109.200 108.921 0.279 25588 12335 1 16 . 1 1 23 23 GLY C C 23 172.300 172.300 173.723 -1.423 25588 12336 1 16 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.495 0.095 25588 12337 1 16 . 1 1 23 23 GLY H H 23 7.660 7.660 7.662 -0.002 25588 12338 1 16 . 1 1 24 24 ASP N N 24 118.600 118.600 118.035 0.565 25588 12339 1 16 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.551 0.066 25588 12340 1 16 . 1 1 24 24 ASP C C 24 174.200 174.200 175.732 -1.532 25588 12341 1 16 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.312 -5.342 25588 12342 1 16 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.007 -5.917 25588 12343 1 16 . 1 1 24 24 ASP H H 24 8.052 8.052 8.416 -0.364 25588 12344 1 16 . 1 1 25 25 GLY N N 25 113.400 113.400 107.676 5.724 25588 12345 1 16 . 1 1 25 25 GLY C C 25 170.600 170.600 173.126 -2.526 25588 12346 1 16 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.908 -1.748 25588 12347 1 16 . 1 1 25 25 GLY H H 25 10.570 10.570 7.941 2.629 25588 12348 1 16 . 1 1 26 26 THR N N 26 109.100 109.100 117.453 -8.353 25588 12349 1 16 . 1 1 26 26 THR HA H 26 5.271 5.271 4.421 0.850 25588 12350 1 16 . 1 1 26 26 THR C C 26 170.200 170.200 172.674 -2.474 25588 12351 1 16 . 1 1 26 26 THR CA C 26 57.170 57.170 62.073 -4.903 25588 12352 1 16 . 1 1 26 26 THR CB C 26 69.920 69.920 72.434 -2.514 25588 12353 1 16 . 1 1 26 26 THR H H 26 7.661 7.661 8.124 -0.463 25588 12354 1 16 . 1 1 27 27 ILE N N 27 127.100 127.100 127.070 0.030 25588 12355 1 16 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.620 0.351 25588 12356 1 16 . 1 1 27 27 ILE C C 27 173.400 173.400 174.852 -1.452 25588 12357 1 16 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.982 -2.162 25588 12358 1 16 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.231 -2.511 25588 12359 1 16 . 1 1 27 27 ILE H H 27 9.766 9.766 8.164 1.602 25588 12360 1 16 . 1 1 28 28 THR N N 28 116.500 116.500 117.521 -1.021 25588 12361 1 16 . 1 1 28 28 THR HA H 28 4.802 4.802 4.990 -0.188 25588 12362 1 16 . 1 1 28 28 THR C C 28 173.900 173.900 176.043 -2.143 25588 12363 1 16 . 1 1 28 28 THR CA C 28 56.980 56.980 59.462 -2.482 25588 12364 1 16 . 1 1 28 28 THR CB C 28 69.730 69.730 72.063 -2.333 25588 12365 1 16 . 1 1 28 28 THR H H 28 8.458 8.458 8.373 0.085 25588 12366 1 16 . 1 1 29 29 THR N N 29 112.900 112.900 112.914 -0.014 25588 12367 1 16 . 1 1 29 29 THR HA H 29 4.169 4.169 4.019 0.150 25588 12368 1 16 . 1 1 29 29 THR C C 29 174.500 174.500 176.430 -1.930 25588 12369 1 16 . 1 1 29 29 THR CA C 29 63.940 63.940 66.232 -2.292 25588 12370 1 16 . 1 1 29 29 THR CB C 29 65.170 65.170 68.562 -3.392 25588 12371 1 16 . 1 1 29 29 THR H H 29 9.066 9.066 8.734 0.332 25588 12372 1 16 . 1 1 30 30 LYS N N 30 120.800 120.800 121.923 -1.123 25588 12373 1 16 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.991 0.120 25588 12374 1 16 . 1 1 30 30 LYS C C 30 177.200 177.200 179.023 -1.823 25588 12375 1 16 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.411 -2.881 25588 12376 1 16 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.211 -2.251 25588 12377 1 16 . 1 1 30 30 LYS H H 30 7.664 7.664 7.698 -0.034 25588 12378 1 16 . 1 1 31 31 GLU N N 31 121.400 121.400 119.184 2.216 25588 12379 1 16 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.010 0.055 25588 12380 1 16 . 1 1 31 31 GLU C C 31 176.500 176.500 179.192 -2.692 25588 12381 1 16 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.070 -2.490 25588 12382 1 16 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.752 -2.592 25588 12383 1 16 . 1 1 31 31 GLU H H 31 7.635 7.635 7.466 0.169 25588 12384 1 16 . 1 1 32 32 LEU N N 32 120.600 120.600 121.022 -0.422 25588 12385 1 16 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.333 -0.251 25588 12386 1 16 . 1 1 32 32 LEU C C 32 176.300 176.300 178.936 -2.636 25588 12387 1 16 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.423 -2.014 25588 12388 1 16 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.866 -1.896 25588 12389 1 16 . 1 1 32 32 LEU H H 32 8.699 8.699 7.705 0.994 25588 12390 1 16 . 1 1 33 33 GLY N N 33 105.600 105.600 104.683 0.917 25588 12391 1 16 . 1 1 33 33 GLY C C 33 172.500 172.500 176.058 -3.558 25588 12392 1 16 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.493 -1.773 25588 12393 1 16 . 1 1 33 33 GLY H H 33 8.616 8.616 8.813 -0.197 25588 12394 1 16 . 1 1 34 34 THR N N 34 118.000 118.000 119.217 -1.217 25588 12395 1 16 . 1 1 34 34 THR HA H 34 3.913 3.913 3.981 -0.068 25588 12396 1 16 . 1 1 34 34 THR C C 34 174.500 174.500 176.373 -1.873 25588 12397 1 16 . 1 1 34 34 THR CA C 34 64.250 64.250 66.602 -2.352 25588 12398 1 16 . 1 1 34 34 THR CB C 34 66.100 66.100 68.591 -2.491 25588 12399 1 16 . 1 1 34 34 THR H H 34 7.867 7.867 7.328 0.539 25588 12400 1 16 . 1 1 35 35 VAL N N 35 122.100 122.100 121.331 0.769 25588 12401 1 16 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.634 -0.176 25588 12402 1 16 . 1 1 35 35 VAL C C 35 176.500 176.500 177.321 -0.821 25588 12403 1 16 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.969 -2.339 25588 12404 1 16 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.223 -3.103 25588 12405 1 16 . 1 1 35 35 VAL H H 35 7.613 7.613 7.732 -0.119 25588 12406 1 16 . 1 1 36 36 MET N N 36 118.400 118.400 117.567 0.833 25588 12407 1 16 . 1 1 36 36 MET HA H 36 4.095 4.095 4.040 0.055 25588 12408 1 16 . 1 1 36 36 MET C C 36 176.500 176.500 177.797 -1.297 25588 12409 1 16 . 1 1 36 36 MET CA C 36 56.420 56.420 57.604 -1.184 25588 12410 1 16 . 1 1 36 36 MET H H 36 8.440 8.440 7.501 0.939 25588 12411 1 16 . 1 1 37 37 ARG N N 37 119.000 119.000 118.132 0.868 25588 12412 1 16 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.037 0.764 25588 12413 1 16 . 1 1 37 37 ARG C C 37 178.500 178.500 179.358 -0.858 25588 12414 1 16 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.320 -2.900 25588 12415 1 16 . 1 1 37 37 ARG H H 37 8.474 8.474 8.065 0.409 25588 12416 1 16 . 1 1 38 38 SER N N 38 118.800 118.800 115.110 3.690 25588 12417 1 16 . 1 1 38 38 SER HA H 38 4.380 4.380 4.265 0.115 25588 12418 1 16 . 1 1 38 38 SER C C 38 172.200 172.200 175.627 -3.427 25588 12419 1 16 . 1 1 38 38 SER CA C 38 58.930 58.930 61.545 -2.615 25588 12420 1 16 . 1 1 38 38 SER CB C 38 60.200 60.200 62.792 -2.592 25588 12421 1 16 . 1 1 38 38 SER H H 38 7.899 7.899 8.009 -0.110 25588 12422 1 16 . 1 1 39 39 LEU N N 39 120.600 120.600 118.232 2.368 25588 12423 1 16 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.623 -0.128 25588 12424 1 16 . 1 1 39 39 LEU C C 39 174.800 174.800 177.583 -2.783 25588 12425 1 16 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.971 -2.041 25588 12426 1 16 . 1 1 39 39 LEU H H 39 7.364 7.364 7.373 -0.009 25588 12427 1 16 . 1 1 40 40 GLY N N 40 106.800 106.800 109.423 -2.623 25588 12428 1 16 . 1 1 40 40 GLY C C 40 171.700 171.700 174.367 -2.667 25588 12429 1 16 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.632 -3.662 25588 12430 1 16 . 1 1 40 40 GLY H H 40 7.862 7.862 8.008 -0.146 25588 12431 1 16 . 1 1 41 41 GLN N N 41 118.400 118.400 122.522 -4.122 25588 12432 1 16 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.427 0.053 25588 12433 1 16 . 1 1 41 41 GLN C C 41 171.400 171.400 173.443 -2.043 25588 12434 1 16 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.294 -3.404 25588 12435 1 16 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.261 -3.181 25588 12436 1 16 . 1 1 41 41 GLN H H 41 7.788 7.788 8.571 -0.783 25588 12437 1 16 . 1 1 42 42 ASN N N 42 116.300 116.300 123.080 -6.780 25588 12438 1 16 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.385 -0.192 25588 12439 1 16 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.589 -0.969 25588 12440 1 16 . 1 1 42 42 ASN H H 42 8.665 8.665 8.178 0.487 25588 12441 1 16 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.086 0.649 25588 12442 1 16 . 1 1 43 43 PRO C C 43 175.100 175.100 178.156 -3.056 25588 12443 1 16 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.552 -5.772 25588 12444 1 16 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.652 -2.262 25588 12445 1 16 . 1 1 44 44 THR N N 44 112.900 112.900 113.092 -0.192 25588 12446 1 16 . 1 1 44 44 THR HA H 44 4.707 4.707 3.958 0.749 25588 12447 1 16 . 1 1 44 44 THR C C 44 172.600 172.600 176.831 -4.231 25588 12448 1 16 . 1 1 44 44 THR CA C 44 57.830 57.830 66.651 -8.821 25588 12449 1 16 . 1 1 44 44 THR CB C 44 68.490 68.490 68.338 0.152 25588 12450 1 16 . 1 1 44 44 THR H H 44 8.702 8.702 7.888 0.814 25588 12451 1 16 . 1 1 45 45 GLU N N 45 120.800 120.800 120.273 0.527 25588 12452 1 16 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.294 -0.319 25588 12453 1 16 . 1 1 45 45 GLU C C 45 176.300 176.300 178.452 -2.152 25588 12454 1 16 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.386 -0.926 25588 12455 1 16 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.529 -3.109 25588 12456 1 16 . 1 1 45 45 GLU H H 45 8.789 8.789 8.580 0.209 25588 12457 1 16 . 1 1 46 46 ALA N N 46 120.700 120.700 123.786 -3.086 25588 12458 1 16 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.050 0.039 25588 12459 1 16 . 1 1 46 46 ALA C C 46 177.700 177.700 179.740 -2.040 25588 12460 1 16 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.337 -2.927 25588 12461 1 16 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.919 -2.269 25588 12462 1 16 . 1 1 46 46 ALA H H 46 8.241 8.241 8.271 -0.030 25588 12463 1 16 . 1 1 47 47 GLU N N 47 118.900 118.900 118.081 0.819 25588 12464 1 16 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.145 -0.143 25588 12465 1 16 . 1 1 47 47 GLU C C 47 177.500 177.500 179.255 -1.755 25588 12466 1 16 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.827 -2.417 25588 12467 1 16 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.672 -2.612 25588 12468 1 16 . 1 1 47 47 GLU H H 47 7.682 7.682 7.882 -0.200 25588 12469 1 16 . 1 1 48 48 LEU N N 48 120.600 120.600 120.307 0.293 25588 12470 1 16 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.010 0.051 25588 12471 1 16 . 1 1 48 48 LEU C C 48 175.900 175.900 178.795 -2.895 25588 12472 1 16 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.069 -1.799 25588 12473 1 16 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.691 -1.951 25588 12474 1 16 . 1 1 48 48 LEU H H 48 8.169 8.169 7.479 0.690 25588 12475 1 16 . 1 1 49 49 GLN N N 49 118.200 118.200 119.543 -1.343 25588 12476 1 16 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.831 -0.004 25588 12477 1 16 . 1 1 49 49 GLN C C 49 175.900 175.900 177.557 -1.657 25588 12478 1 16 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.233 -3.263 25588 12479 1 16 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.758 -2.238 25588 12480 1 16 . 1 1 49 49 GLN H H 49 8.179 8.179 8.692 -0.513 25588 12481 1 16 . 1 1 50 50 ASP N N 50 119.900 119.900 118.813 1.087 25588 12482 1 16 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.411 -0.028 25588 12483 1 16 . 1 1 50 50 ASP C C 50 175.900 175.900 178.643 -2.743 25588 12484 1 16 . 1 1 50 50 ASP CA C 50 54.950 54.950 57.083 -2.133 25588 12485 1 16 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.232 -2.442 25588 12486 1 16 . 1 1 50 50 ASP H H 50 8.037 8.037 7.846 0.191 25588 12487 1 16 . 1 1 51 51 MET N N 51 119.300 119.300 119.905 -0.605 25588 12488 1 16 . 1 1 51 51 MET HA H 51 4.028 4.028 4.163 -0.135 25588 12489 1 16 . 1 1 51 51 MET C C 51 176.200 176.200 178.484 -2.284 25588 12490 1 16 . 1 1 51 51 MET CA C 51 56.710 56.710 58.672 -1.962 25588 12491 1 16 . 1 1 51 51 MET CB C 51 30.570 30.570 32.695 -2.125 25588 12492 1 16 . 1 1 51 51 MET H H 51 7.855 7.855 7.280 0.575 25588 12493 1 16 . 1 1 52 52 ILE N N 52 118.200 118.200 119.663 -1.463 25588 12494 1 16 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.489 0.000 25588 12495 1 16 . 1 1 52 52 ILE C C 52 175.100 175.100 177.968 -2.868 25588 12496 1 16 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.693 -3.473 25588 12497 1 16 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.595 1.735 25588 12498 1 16 . 1 1 52 52 ILE H H 52 7.701 7.701 8.852 -1.151 25588 12499 1 16 . 1 1 53 53 ASN N N 53 117.700 117.700 117.537 0.163 25588 12500 1 16 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.402 -0.041 25588 12501 1 16 . 1 1 53 53 ASN C C 53 174.800 174.800 177.705 -2.905 25588 12502 1 16 . 1 1 53 53 ASN CA C 53 53.290 53.290 55.951 -2.661 25588 12503 1 16 . 1 1 53 53 ASN CB C 53 35.440 35.440 37.797 -2.357 25588 12504 1 16 . 1 1 53 53 ASN H H 53 8.529 8.529 7.927 0.602 25588 12505 1 16 . 1 1 54 54 GLU N N 54 116.400 116.400 120.610 -4.210 25588 12506 1 16 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.058 -0.037 25588 12507 1 16 . 1 1 54 54 GLU C C 54 175.000 175.000 179.006 -4.006 25588 12508 1 16 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.415 -3.175 25588 12509 1 16 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.738 -1.908 25588 12510 1 16 . 1 1 54 54 GLU H H 54 7.573 7.573 7.978 -0.405 25588 12511 1 16 . 1 1 55 55 VAL N N 55 108.400 108.400 118.679 -10.279 25588 12512 1 16 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.866 0.580 25588 12513 1 16 . 1 1 55 55 VAL C C 55 173.100 173.100 177.601 -4.501 25588 12514 1 16 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.174 -7.084 25588 12515 1 16 . 1 1 55 55 VAL H H 55 7.204 7.204 7.736 -0.532 25588 12516 1 16 . 1 1 56 56 ASP N N 56 126.900 126.900 119.426 7.474 25588 12517 1 16 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.525 0.113 25588 12518 1 16 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.961 -3.911 25588 12519 1 16 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.930 -3.450 25588 12520 1 16 . 1 1 56 56 ASP H H 56 7.649 7.649 8.199 -0.550 25588 12521 1 16 . 1 1 57 57 ALA N N 57 131.900 131.900 121.145 10.755 25588 12522 1 16 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.187 -0.005 25588 12523 1 16 . 1 1 57 57 ALA C C 57 176.000 176.000 177.722 -1.722 25588 12524 1 16 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.231 -1.541 25588 12525 1 16 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.106 -1.206 25588 12526 1 16 . 1 1 57 57 ALA H H 57 8.458 8.458 7.914 0.544 25588 12527 1 16 . 1 1 58 58 ASP N N 58 113.800 113.800 118.556 -4.756 25588 12528 1 16 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.417 0.194 25588 12529 1 16 . 1 1 58 58 ASP C C 58 175.200 175.200 177.097 -1.897 25588 12530 1 16 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.472 -5.432 25588 12531 1 16 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.688 -3.488 25588 12532 1 16 . 1 1 58 58 ASP H H 58 8.125 8.125 7.657 0.468 25588 12533 1 16 . 1 1 59 59 GLY N N 59 108.400 108.400 105.969 2.431 25588 12534 1 16 . 1 1 59 59 GLY C C 59 172.500 172.500 173.382 -0.882 25588 12535 1 16 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.205 -0.545 25588 12536 1 16 . 1 1 59 59 GLY H H 59 7.550 7.550 7.793 -0.243 25588 12537 1 16 . 1 1 60 60 ASN N N 60 120.600 120.600 116.740 3.860 25588 12538 1 16 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.707 -0.220 25588 12539 1 16 . 1 1 60 60 ASN C C 60 174.800 174.800 174.773 0.027 25588 12540 1 16 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.704 -1.524 25588 12541 1 16 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.141 -1.301 25588 12542 1 16 . 1 1 60 60 ASN H H 60 8.356 8.356 8.181 0.175 25588 12543 1 16 . 1 1 61 61 GLY N N 61 113.300 113.300 106.375 6.925 25588 12544 1 16 . 1 1 61 61 GLY C C 61 171.100 171.100 173.806 -2.706 25588 12545 1 16 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.752 -2.922 25588 12546 1 16 . 1 1 61 61 GLY H H 61 10.610 10.610 8.725 1.885 25588 12547 1 16 . 1 1 62 62 THR N N 62 112.900 112.900 112.066 0.834 25588 12548 1 16 . 1 1 62 62 THR HA H 62 4.756 4.756 4.994 -0.238 25588 12549 1 16 . 1 1 62 62 THR C C 62 170.500 170.500 173.312 -2.812 25588 12550 1 16 . 1 1 62 62 THR CA C 62 57.050 57.050 59.751 -2.701 25588 12551 1 16 . 1 1 62 62 THR CB C 62 69.100 69.100 72.163 -3.063 25588 12552 1 16 . 1 1 62 62 THR H H 62 8.111 8.111 7.746 0.365 25588 12553 1 16 . 1 1 63 63 ILE N N 63 123.900 123.900 123.546 0.354 25588 12554 1 16 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.328 0.824 25588 12555 1 16 . 1 1 63 63 ILE C C 63 172.900 172.900 174.389 -1.489 25588 12556 1 16 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.315 -2.955 25588 12557 1 16 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.610 -4.750 25588 12558 1 16 . 1 1 63 63 ILE H H 63 8.905 8.905 8.974 -0.069 25588 12559 1 16 . 1 1 64 64 ASP N N 64 128.200 128.200 126.309 1.891 25588 12560 1 16 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.687 0.655 25588 12561 1 16 . 1 1 64 64 ASP C C 64 173.700 173.700 176.962 -3.262 25588 12562 1 16 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.758 -5.288 25588 12563 1 16 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.685 -2.035 25588 12564 1 16 . 1 1 64 64 ASP H H 64 8.778 8.778 8.643 0.135 25588 12565 1 16 . 1 1 65 65 PHE N N 65 118.700 118.700 120.489 -1.789 25588 12566 1 16 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.226 -2.206 25588 12567 1 16 . 1 1 65 65 PHE H H 65 8.903 8.903 8.997 -0.094 25588 12568 1 16 . 1 1 66 66 PRO C C 66 177.400 177.400 178.884 -1.484 25588 12569 1 16 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.160 -2.200 25588 12570 1 16 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.412 -3.352 25588 12571 1 16 . 1 1 67 67 GLU N N 67 117.600 117.600 116.882 0.718 25588 12572 1 16 . 1 1 67 67 GLU C C 67 176.100 176.100 178.611 -2.511 25588 12573 1 16 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.319 -2.249 25588 12574 1 16 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.317 -2.567 25588 12575 1 16 . 1 1 67 67 GLU H H 67 7.894 7.894 8.690 -0.796 25588 12576 1 16 . 1 1 68 68 PHE N N 68 123.500 123.500 123.013 0.487 25588 12577 1 16 . 1 1 68 68 PHE C C 68 174.400 174.400 176.590 -2.190 25588 12578 1 16 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.701 -3.091 25588 12579 1 16 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.928 -1.408 25588 12580 1 16 . 1 1 68 68 PHE H H 68 8.826 8.826 8.044 0.782 25588 12581 1 16 . 1 1 69 69 LEU N N 69 119.000 119.000 118.117 0.883 25588 12582 1 16 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.786 -0.452 25588 12583 1 16 . 1 1 69 69 LEU C C 69 176.600 176.600 179.083 -2.483 25588 12584 1 16 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.207 -2.857 25588 12585 1 16 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.541 -3.361 25588 12586 1 16 . 1 1 69 69 LEU H H 69 8.321 8.321 8.184 0.137 25588 12587 1 16 . 1 1 70 70 THR N N 70 115.500 115.500 115.345 0.155 25588 12588 1 16 . 1 1 70 70 THR HA H 70 4.317 4.317 3.911 0.406 25588 12589 1 16 . 1 1 70 70 THR C C 70 173.400 173.400 176.262 -2.862 25588 12590 1 16 . 1 1 70 70 THR CA C 70 63.720 63.720 66.766 -3.046 25588 12591 1 16 . 1 1 70 70 THR CB C 70 65.630 65.630 68.521 -2.891 25588 12592 1 16 . 1 1 70 70 THR H H 70 7.476 7.476 7.593 -0.117 25588 12593 1 16 . 1 1 71 71 MET N N 71 121.700 121.700 121.521 0.179 25588 12594 1 16 . 1 1 71 71 MET HA H 71 3.758 3.758 3.990 -0.232 25588 12595 1 16 . 1 1 71 71 MET C C 71 175.600 175.600 177.766 -2.166 25588 12596 1 16 . 1 1 71 71 MET CA C 71 56.370 56.370 59.344 -2.974 25588 12597 1 16 . 1 1 71 71 MET CB C 71 30.590 30.590 32.593 -2.003 25588 12598 1 16 . 1 1 71 71 MET H H 71 7.774 7.774 8.356 -0.582 25588 12599 1 16 . 1 1 72 72 MET N N 72 116.900 116.900 117.100 -0.200 25588 12600 1 16 . 1 1 72 72 MET HA H 72 3.993 3.993 3.998 -0.005 25588 12601 1 16 . 1 1 72 72 MET C C 72 175.900 175.900 178.432 -2.532 25588 12602 1 16 . 1 1 72 72 MET CA C 72 53.200 53.200 57.138 -3.938 25588 12603 1 16 . 1 1 72 72 MET CB C 72 28.520 28.520 30.776 -2.256 25588 12604 1 16 . 1 1 72 72 MET H H 72 8.082 8.082 8.126 -0.044 25588 12605 1 16 . 1 1 73 73 ALA N N 73 122.300 122.300 123.272 -0.972 25588 12606 1 16 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.949 0.125 25588 12607 1 16 . 1 1 73 73 ALA C C 73 177.200 177.200 179.309 -2.109 25588 12608 1 16 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.093 -3.123 25588 12609 1 16 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.385 -2.645 25588 12610 1 16 . 1 1 73 73 ALA H H 73 8.149 8.149 8.227 -0.078 25588 12611 1 16 . 1 1 74 74 ARG N N 74 116.600 116.600 117.084 -0.484 25588 12612 1 16 . 1 1 74 74 ARG C C 74 175.200 175.200 178.661 -3.461 25588 12613 1 16 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.782 -3.223 25588 12614 1 16 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.243 -2.593 25588 12615 1 16 . 1 1 74 74 ARG H H 74 7.564 7.564 7.823 -0.259 25588 12616 1 16 . 1 1 75 75 LYS N N 75 118.800 118.800 117.258 1.542 25588 12617 1 16 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.148 0.047 25588 12618 1 16 . 1 1 75 75 LYS C C 75 175.100 175.100 177.561 -2.461 25588 12619 1 16 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.660 -2.930 25588 12620 1 16 . 1 1 75 75 LYS H H 75 7.668 7.668 8.063 -0.395 25588 12621 1 16 . 1 1 76 76 MET N N 76 118.300 118.300 118.250 0.050 25588 12622 1 16 . 1 1 76 76 MET HA H 76 4.331 4.331 4.577 -0.246 25588 12623 1 16 . 1 1 76 76 MET C C 76 173.900 173.900 174.750 -0.850 25588 12624 1 16 . 1 1 76 76 MET CA C 76 54.010 54.010 52.817 1.193 25588 12625 1 16 . 1 1 76 76 MET H H 76 7.861 7.861 8.220 -0.359 25588 12626 1 16 . 1 1 77 77 LYS N N 77 120.200 120.200 124.051 -3.851 25588 12627 1 16 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.316 -0.018 25588 12628 1 16 . 1 1 77 77 LYS C C 77 173.800 173.800 176.939 -3.139 25588 12629 1 16 . 1 1 77 77 LYS CA C 77 54.070 54.070 56.122 -2.052 25588 12630 1 16 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.635 -3.265 25588 12631 1 16 . 1 1 77 77 LYS H H 77 7.797 7.797 8.429 -0.632 25588 12632 1 16 . 1 1 78 78 ASP N N 78 121.400 121.400 124.343 -2.943 25588 12633 1 16 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.391 0.282 25588 12634 1 16 . 1 1 78 78 ASP C C 78 173.900 173.900 177.576 -3.676 25588 12635 1 16 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.171 -3.271 25588 12636 1 16 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.464 -2.954 25588 12637 1 16 . 1 1 78 78 ASP H H 78 8.191 8.191 8.614 -0.423 25588 12638 1 16 . 1 1 79 79 THR N N 79 114.600 114.600 109.725 4.875 25588 12639 1 16 . 1 1 79 79 THR HA H 79 4.263 4.263 4.089 0.174 25588 12640 1 16 . 1 1 79 79 THR C C 79 171.900 171.900 175.445 -3.545 25588 12641 1 16 . 1 1 79 79 THR CA C 79 59.510 59.510 65.028 -5.518 25588 12642 1 16 . 1 1 79 79 THR CB C 79 67.090 67.090 68.704 -1.614 25588 12643 1 16 . 1 1 79 79 THR H H 79 8.063 8.063 8.379 -0.316 25588 12644 1 16 . 1 1 80 80 ASP N N 80 123.100 123.100 122.390 0.710 25588 12645 1 16 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.551 0.161 25588 12646 1 16 . 1 1 80 80 ASP C C 80 173.900 173.900 178.193 -4.293 25588 12647 1 16 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.508 -4.608 25588 12648 1 16 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.528 -0.858 25588 12649 1 16 . 1 1 80 80 ASP H H 80 8.423 8.423 8.652 -0.229 25588 12650 1 16 . 1 1 81 81 SER N N 81 116.900 116.900 115.829 1.071 25588 12651 1 16 . 1 1 81 81 SER HA H 81 4.498 4.498 4.183 0.315 25588 12652 1 16 . 1 1 81 81 SER C C 81 172.700 172.700 175.771 -3.071 25588 12653 1 16 . 1 1 81 81 SER CA C 81 56.360 56.360 60.869 -4.509 25588 12654 1 16 . 1 1 81 81 SER CB C 81 61.310 61.310 62.727 -1.417 25588 12655 1 16 . 1 1 81 81 SER H H 81 8.357 8.357 7.706 0.651 25588 12656 1 16 . 1 1 82 82 GLU N N 82 122.800 122.800 122.752 0.048 25588 12657 1 16 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.811 0.317 25588 12658 1 16 . 1 1 82 82 GLU C C 82 175.300 175.300 178.603 -3.303 25588 12659 1 16 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.708 -3.438 25588 12660 1 16 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.471 -2.721 25588 12661 1 16 . 1 1 82 82 GLU H H 82 8.532 8.532 7.813 0.719 25588 12662 1 16 . 1 1 83 83 GLU N N 83 119.400 119.400 117.233 2.167 25588 12663 1 16 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.137 -0.103 25588 12664 1 16 . 1 1 83 83 GLU C C 83 176.000 176.000 179.000 -3.000 25588 12665 1 16 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.891 -1.821 25588 12666 1 16 . 1 1 83 83 GLU H H 83 8.365 8.365 7.698 0.667 25588 12667 1 16 . 1 1 84 84 GLU N N 84 118.700 118.700 119.513 -0.813 25588 12668 1 16 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.124 0.023 25588 12669 1 16 . 1 1 84 84 GLU C C 84 177.000 177.000 179.358 -2.358 25588 12670 1 16 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.645 -1.975 25588 12671 1 16 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.594 -2.794 25588 12672 1 16 . 1 1 84 84 GLU H H 84 8.073 8.073 7.481 0.592 25588 12673 1 16 . 1 1 85 85 ILE N N 85 122.200 122.200 119.530 2.670 25588 12674 1 16 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.631 0.363 25588 12675 1 16 . 1 1 85 85 ILE C C 85 175.300 175.300 177.637 -2.337 25588 12676 1 16 . 1 1 85 85 ILE CA C 85 62.130 62.130 63.906 -1.776 25588 12677 1 16 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.323 -2.823 25588 12678 1 16 . 1 1 85 85 ILE H H 85 8.043 8.043 8.762 -0.719 25588 12679 1 16 . 1 1 86 86 ARG N N 86 121.700 121.700 120.080 1.620 25588 12680 1 16 . 1 1 86 86 ARG C C 86 176.700 176.700 178.961 -2.261 25588 12681 1 16 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.879 -2.519 25588 12682 1 16 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.746 -2.696 25588 12683 1 16 . 1 1 86 86 ARG H H 86 8.415 8.415 7.774 0.641 25588 12684 1 16 . 1 1 87 87 GLU N N 87 118.600 118.600 119.630 -1.030 25588 12685 1 16 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.158 -0.049 25588 12686 1 16 . 1 1 87 87 GLU C C 87 175.900 175.900 177.791 -1.891 25588 12687 1 16 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.867 -2.438 25588 12688 1 16 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.320 -2.770 25588 12689 1 16 . 1 1 87 87 GLU H H 87 8.056 8.056 7.834 0.222 25588 12690 1 16 . 1 1 88 88 ALA N N 88 122.000 122.000 120.891 1.109 25588 12691 1 16 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.219 -0.001 25588 12692 1 16 . 1 1 88 88 ALA C C 88 176.600 176.600 179.136 -2.536 25588 12693 1 16 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.053 -1.603 25588 12694 1 16 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.053 -2.753 25588 12695 1 16 . 1 1 88 88 ALA H H 88 7.934 7.934 7.477 0.457 25588 12696 1 16 . 1 1 89 89 PHE N N 89 118.900 118.900 120.680 -1.780 25588 12697 1 16 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.202 -1.051 25588 12698 1 16 . 1 1 89 89 PHE C C 89 173.800 173.800 177.287 -3.487 25588 12699 1 16 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.691 -2.191 25588 12700 1 16 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.076 -2.706 25588 12701 1 16 . 1 1 89 89 PHE H H 89 8.537 8.537 7.864 0.673 25588 12702 1 16 . 1 1 90 90 ARG N N 90 115.600 115.600 118.835 -3.235 25588 12703 1 16 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.726 0.138 25588 12704 1 16 . 1 1 90 90 ARG C C 90 175.500 175.500 177.956 -2.456 25588 12705 1 16 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.266 -3.155 25588 12706 1 16 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.109 -2.459 25588 12707 1 16 . 1 1 90 90 ARG H H 90 7.656 7.656 7.835 -0.179 25588 12708 1 16 . 1 1 91 91 VAL N N 91 118.300 118.300 118.064 0.236 25588 12709 1 16 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.771 -0.284 25588 12710 1 16 . 1 1 91 91 VAL C C 91 174.700 174.700 178.382 -3.682 25588 12711 1 16 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.931 -2.921 25588 12712 1 16 . 1 1 91 91 VAL H H 91 7.496 7.496 7.419 0.077 25588 12713 1 16 . 1 1 92 92 PHE N N 92 116.300 116.300 119.402 -3.102 25588 12714 1 16 . 1 1 92 92 PHE C C 92 174.300 174.300 176.038 -1.738 25588 12715 1 16 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.854 -3.444 25588 12716 1 16 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.612 -1.992 25588 12717 1 16 . 1 1 92 92 PHE H H 92 7.460 7.460 8.631 -1.171 25588 12718 1 16 . 1 1 93 93 ASP N N 93 116.900 116.900 117.976 -1.076 25588 12719 1 16 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.722 -0.218 25588 12720 1 16 . 1 1 93 93 ASP C C 93 174.900 174.900 175.671 -0.771 25588 12721 1 16 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.543 -3.003 25588 12722 1 16 . 1 1 93 93 ASP H H 93 7.821 7.821 8.120 -0.299 25588 12723 1 16 . 1 1 94 94 LYS N N 94 125.900 125.900 123.791 2.109 25588 12724 1 16 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.108 -0.220 25588 12725 1 16 . 1 1 94 94 LYS C C 94 175.700 175.700 177.516 -1.816 25588 12726 1 16 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.451 -2.041 25588 12727 1 16 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.647 -2.477 25588 12728 1 16 . 1 1 94 94 LYS H H 94 7.689 7.689 8.236 -0.547 25588 12729 1 16 . 1 1 95 95 ASP N N 95 114.000 114.000 116.992 -2.992 25588 12730 1 16 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.378 0.176 25588 12731 1 16 . 1 1 95 95 ASP C C 95 175.100 175.100 177.911 -2.811 25588 12732 1 16 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.549 -5.229 25588 12733 1 16 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.128 -3.138 25588 12734 1 16 . 1 1 95 95 ASP H H 95 8.179 8.179 8.204 -0.025 25588 12735 1 16 . 1 1 96 96 GLY N N 96 109.300 109.300 109.864 -0.564 25588 12736 1 16 . 1 1 96 96 GLY C C 96 172.500 172.500 175.638 -3.138 25588 12737 1 16 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.644 -2.144 25588 12738 1 16 . 1 1 96 96 GLY H H 96 7.765 7.765 8.407 -0.642 25588 12739 1 16 . 1 1 97 97 ASN N N 97 119.600 119.600 122.972 -3.372 25588 12740 1 16 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.604 0.040 25588 12741 1 16 . 1 1 97 97 ASN C C 97 173.400 173.400 174.935 -1.535 25588 12742 1 16 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.035 -3.965 25588 12743 1 16 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.929 -3.409 25588 12744 1 16 . 1 1 97 97 ASN H H 97 8.302 8.302 8.547 -0.245 25588 12745 1 16 . 1 1 98 98 GLY N N 98 113.000 113.000 105.484 7.516 25588 12746 1 16 . 1 1 98 98 GLY C C 98 169.800 169.800 171.957 -2.157 25588 12747 1 16 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.538 -1.028 25588 12748 1 16 . 1 1 98 98 GLY H H 98 10.620 10.620 7.390 3.230 25588 12749 1 16 . 1 1 99 99 TYR N N 99 115.900 115.900 117.133 -1.233 25588 12750 1 16 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.837 0.199 25588 12751 1 16 . 1 1 99 99 TYR C C 99 171.900 171.900 175.694 -3.794 25588 12752 1 16 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.174 -2.784 25588 12753 1 16 . 1 1 99 99 TYR CB C 99 40.530 40.530 40.776 -0.246 25588 12754 1 16 . 1 1 99 99 TYR H H 99 7.597 7.597 7.732 -0.135 25588 12755 1 16 . 1 1 100 100 ILE N N 100 127.400 127.400 122.877 4.523 25588 12756 1 16 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.232 0.547 25588 12757 1 16 . 1 1 100 100 ILE C C 100 172.900 172.900 176.498 -3.598 25588 12758 1 16 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.643 -3.983 25588 12759 1 16 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.531 -2.581 25588 12760 1 16 . 1 1 100 100 ILE H H 100 10.120 10.120 8.388 1.732 25588 12761 1 16 . 1 1 101 101 SER N N 101 123.800 123.800 123.013 0.787 25588 12762 1 16 . 1 1 101 101 SER C C 101 172.600 172.600 175.765 -3.165 25588 12763 1 16 . 1 1 101 101 SER CA C 101 53.180 53.180 56.819 -3.639 25588 12764 1 16 . 1 1 101 101 SER CB C 101 63.970 63.970 65.589 -1.619 25588 12765 1 16 . 1 1 101 101 SER H H 101 8.944 8.944 8.201 0.743 25588 12766 1 16 . 1 1 102 102 ALA N N 102 122.900 122.900 124.044 -1.144 25588 12767 1 16 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.055 -0.141 25588 12768 1 16 . 1 1 102 102 ALA C C 102 176.700 176.700 179.060 -2.360 25588 12769 1 16 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.276 -1.976 25588 12770 1 16 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.242 -2.792 25588 12771 1 16 . 1 1 102 102 ALA H H 102 9.178 9.178 9.067 0.111 25588 12772 1 16 . 1 1 103 103 ALA N N 103 118.400 118.400 121.817 -3.417 25588 12773 1 16 . 1 1 103 103 ALA C C 103 178.700 178.700 179.862 -1.162 25588 12774 1 16 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.883 -2.333 25588 12775 1 16 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.313 -2.433 25588 12776 1 16 . 1 1 103 103 ALA H H 103 8.205 8.205 7.855 0.350 25588 12777 1 16 . 1 1 104 104 GLU N N 104 119.700 119.700 118.565 1.135 25588 12778 1 16 . 1 1 104 104 GLU C C 104 176.600 176.600 178.995 -2.395 25588 12779 1 16 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.909 -2.269 25588 12780 1 16 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.637 -2.997 25588 12781 1 16 . 1 1 104 104 GLU H H 104 7.835 7.835 7.722 0.113 25588 12782 1 16 . 1 1 105 105 LEU N N 105 121.000 121.000 121.260 -0.260 25588 12783 1 16 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.053 0.046 25588 12784 1 16 . 1 1 105 105 LEU C C 105 175.800 175.800 178.110 -2.310 25588 12785 1 16 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.903 -2.243 25588 12786 1 16 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.947 -7.387 25588 12787 1 16 . 1 1 105 105 LEU H H 105 8.571 8.571 8.211 0.360 25588 12788 1 16 . 1 1 106 106 ARG N N 106 117.500 117.500 118.816 -1.316 25588 12789 1 16 . 1 1 106 106 ARG C C 106 176.000 176.000 178.092 -2.092 25588 12790 1 16 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.097 -2.867 25588 12791 1 16 . 1 1 106 106 ARG H H 106 8.522 8.522 7.891 0.631 25588 12792 1 16 . 1 1 107 107 HIS N N 107 119.000 119.000 118.060 0.940 25588 12793 1 16 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.320 -0.034 25588 12794 1 16 . 1 1 107 107 HIS C C 107 174.900 174.900 177.598 -2.698 25588 12795 1 16 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.704 -2.614 25588 12796 1 16 . 1 1 107 107 HIS H H 107 7.889 7.889 7.744 0.145 25588 12797 1 16 . 1 1 108 108 VAL N N 108 118.900 118.900 119.679 -0.779 25588 12798 1 16 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.647 -0.162 25588 12799 1 16 . 1 1 108 108 VAL C C 108 175.400 175.400 178.153 -2.753 25588 12800 1 16 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.422 -2.902 25588 12801 1 16 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.454 -2.254 25588 12802 1 16 . 1 1 108 108 VAL H H 108 7.958 7.958 7.504 0.454 25588 12803 1 16 . 1 1 109 109 MET N N 109 116.400 116.400 118.156 -1.756 25588 12804 1 16 . 1 1 109 109 MET HA H 109 4.331 4.331 4.213 0.118 25588 12805 1 16 . 1 1 109 109 MET C C 109 176.000 176.000 178.786 -2.786 25588 12806 1 16 . 1 1 109 109 MET CA C 109 54.910 54.910 57.766 -2.856 25588 12807 1 16 . 1 1 109 109 MET CB C 109 28.750 28.750 31.212 -2.462 25588 12808 1 16 . 1 1 109 109 MET H H 109 8.247 8.247 8.474 -0.227 25588 12809 1 16 . 1 1 110 110 THR N N 110 114.900 114.900 115.593 -0.693 25588 12810 1 16 . 1 1 110 110 THR HA H 110 4.152 4.152 4.240 -0.088 25588 12811 1 16 . 1 1 110 110 THR C C 110 175.000 175.000 175.964 -0.964 25588 12812 1 16 . 1 1 110 110 THR CA C 110 63.270 63.270 65.859 -2.589 25588 12813 1 16 . 1 1 110 110 THR CB C 110 66.230 66.230 68.387 -2.157 25588 12814 1 16 . 1 1 110 110 THR H H 110 8.125 8.125 8.193 -0.068 25588 12815 1 16 . 1 1 111 111 ASN N N 111 122.200 122.200 117.914 4.286 25588 12816 1 16 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.457 -0.020 25588 12817 1 16 . 1 1 111 111 ASN C C 111 173.700 173.700 177.589 -3.889 25588 12818 1 16 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.241 -2.171 25588 12819 1 16 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.460 -2.640 25588 12820 1 16 . 1 1 111 111 ASN H H 111 7.867 7.867 7.493 0.374 25588 12821 1 16 . 1 1 112 112 LEU N N 112 119.100 119.100 119.102 -0.002 25588 12822 1 16 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.102 0.231 25588 12823 1 16 . 1 1 112 112 LEU C C 112 174.700 174.700 176.906 -2.206 25588 12824 1 16 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.563 -3.803 25588 12825 1 16 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.699 -3.249 25588 12826 1 16 . 1 1 112 112 LEU H H 112 7.850 7.850 7.301 0.549 25588 12827 1 16 . 1 1 113 113 GLY N N 113 106.800 106.800 103.985 2.815 25588 12828 1 16 . 1 1 113 113 GLY C C 113 171.700 171.700 172.171 -0.471 25588 12829 1 16 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.061 -2.271 25588 12830 1 16 . 1 1 113 113 GLY H H 113 7.830 7.830 7.471 0.359 25588 12831 1 16 . 1 1 114 114 GLU N N 114 120.600 120.600 119.212 1.388 25588 12832 1 16 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.650 -0.250 25588 12833 1 16 . 1 1 114 114 GLU C C 114 172.800 172.800 177.181 -4.381 25588 12834 1 16 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.070 -3.400 25588 12835 1 16 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.518 -2.558 25588 12836 1 16 . 1 1 114 114 GLU H H 114 7.914 7.914 8.683 -0.769 25588 12837 1 16 . 1 1 115 115 LYS N N 115 124.000 124.000 120.100 3.900 25588 12838 1 16 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.144 0.213 25588 12839 1 16 . 1 1 115 115 LYS C C 115 173.000 173.000 176.625 -3.625 25588 12840 1 16 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.328 -5.308 25588 12841 1 16 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.737 -3.327 25588 12842 1 16 . 1 1 115 115 LYS H H 115 8.505 8.505 8.414 0.091 25588 12843 1 16 . 1 1 116 116 LEU N N 116 125.000 125.000 117.200 7.800 25588 12844 1 16 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.658 0.101 25588 12845 1 16 . 1 1 116 116 LEU C C 116 175.300 175.300 176.808 -1.508 25588 12846 1 16 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.212 -1.792 25588 12847 1 16 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.688 -1.578 25588 12848 1 16 . 1 1 116 116 LEU H H 116 8.076 8.076 7.701 0.375 25588 12849 1 16 . 1 1 117 117 THR N N 117 114.500 114.500 109.922 4.578 25588 12850 1 16 . 1 1 117 117 THR HA H 117 4.453 4.453 4.271 0.182 25588 12851 1 16 . 1 1 117 117 THR C C 117 172.800 172.800 174.270 -1.470 25588 12852 1 16 . 1 1 117 117 THR CA C 117 57.970 57.970 61.668 -3.698 25588 12853 1 16 . 1 1 117 117 THR CB C 117 68.610 68.610 69.956 -1.346 25588 12854 1 16 . 1 1 117 117 THR H H 117 9.116 9.116 8.216 0.900 25588 12855 1 16 . 1 1 118 118 ASP N N 118 121.000 121.000 119.486 1.514 25588 12856 1 16 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.622 -0.426 25588 12857 1 16 . 1 1 118 118 ASP C C 118 175.900 175.900 177.681 -1.781 25588 12858 1 16 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.609 -1.249 25588 12859 1 16 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.959 -3.849 25588 12860 1 16 . 1 1 118 118 ASP H H 118 8.847 8.847 8.664 0.183 25588 12861 1 16 . 1 1 119 119 GLU N N 119 119.100 119.100 119.679 -0.579 25588 12862 1 16 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.418 -0.348 25588 12863 1 16 . 1 1 119 119 GLU C C 119 176.500 176.500 177.539 -1.039 25588 12864 1 16 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.721 -1.441 25588 12865 1 16 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.593 -3.163 25588 12866 1 16 . 1 1 119 119 GLU H H 119 8.626 8.626 8.477 0.149 25588 12867 1 16 . 1 1 120 120 GLU N N 120 120.500 120.500 118.538 1.962 25588 12868 1 16 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.063 -0.073 25588 12869 1 16 . 1 1 120 120 GLU C C 120 177.400 177.400 178.687 -1.287 25588 12870 1 16 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.401 -2.811 25588 12871 1 16 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.111 -0.321 25588 12872 1 16 . 1 1 120 120 GLU H H 120 7.724 7.724 8.892 -1.168 25588 12873 1 16 . 1 1 121 121 VAL N N 121 121.100 121.100 115.278 5.822 25588 12874 1 16 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.836 -0.249 25588 12875 1 16 . 1 1 121 121 VAL C C 121 174.600 174.600 177.604 -3.004 25588 12876 1 16 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.387 -1.077 25588 12877 1 16 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.058 -2.678 25588 12878 1 16 . 1 1 121 121 VAL H H 121 8.062 8.062 7.860 0.202 25588 12879 1 16 . 1 1 122 122 ASP N N 122 119.600 119.600 121.375 -1.775 25588 12880 1 16 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.348 -0.039 25588 12881 1 16 . 1 1 122 122 ASP C C 122 176.500 176.500 178.074 -1.574 25588 12882 1 16 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.267 -2.267 25588 12883 1 16 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.295 -2.395 25588 12884 1 16 . 1 1 122 122 ASP H H 122 8.007 8.007 7.925 0.082 25588 12885 1 16 . 1 1 123 123 GLU N N 123 119.300 119.300 117.408 1.892 25588 12886 1 16 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.290 -0.292 25588 12887 1 16 . 1 1 123 123 GLU C C 123 175.400 175.400 178.257 -2.857 25588 12888 1 16 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.835 -1.175 25588 12889 1 16 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.384 -3.594 25588 12890 1 16 . 1 1 123 123 GLU H H 123 7.967 7.967 8.247 -0.280 25588 12891 1 16 . 1 1 124 124 MET N N 124 119.600 119.600 120.703 -1.103 25588 12892 1 16 . 1 1 124 124 MET HA H 124 4.033 4.033 4.191 -0.158 25588 12893 1 16 . 1 1 124 124 MET C C 124 176.500 176.500 178.358 -1.858 25588 12894 1 16 . 1 1 124 124 MET CA C 124 56.970 56.970 58.237 -1.268 25588 12895 1 16 . 1 1 124 124 MET CB C 124 30.470 30.470 32.500 -2.030 25588 12896 1 16 . 1 1 124 124 MET H H 124 7.789 7.789 8.389 -0.600 25588 12897 1 16 . 1 1 125 125 ILE N N 125 118.500 118.500 116.727 1.773 25588 12898 1 16 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.759 -0.260 25588 12899 1 16 . 1 1 125 125 ILE C C 125 174.600 174.600 177.457 -2.857 25588 12900 1 16 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.672 -2.482 25588 12901 1 16 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.437 -3.927 25588 12902 1 16 . 1 1 125 125 ILE H H 125 7.940 7.940 7.975 -0.035 25588 12903 1 16 . 1 1 126 126 ARG N N 126 118.300 118.300 119.737 -1.437 25588 12904 1 16 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.059 -0.051 25588 12905 1 16 . 1 1 126 126 ARG C C 126 176.800 176.800 178.329 -1.529 25588 12906 1 16 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.416 -2.316 25588 12907 1 16 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.388 -2.818 25588 12908 1 16 . 1 1 126 126 ARG H H 126 8.168 8.168 7.336 0.832 25588 12909 1 16 . 1 1 127 127 GLU N N 127 116.300 116.300 119.399 -3.099 25588 12910 1 16 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.207 -0.224 25588 12911 1 16 . 1 1 127 127 GLU C C 127 174.700 174.700 177.479 -2.779 25588 12912 1 16 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.202 -2.322 25588 12913 1 16 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.574 -2.634 25588 12914 1 16 . 1 1 127 127 GLU H H 127 7.918 7.918 7.817 0.101 25588 12915 1 16 . 1 1 128 128 ALA N N 128 119.100 119.100 120.278 -1.178 25588 12916 1 16 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.171 0.247 25588 12917 1 16 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.750 -4.240 25588 12918 1 16 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.853 -0.113 25588 12919 1 16 . 1 1 128 128 ALA H H 128 7.354 7.354 7.602 -0.248 25588 12920 1 16 . 1 1 129 129 ASP N N 129 117.400 117.400 117.461 -0.061 25588 12921 1 16 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.643 -0.141 25588 12922 1 16 . 1 1 129 129 ASP C C 129 173.400 173.400 177.131 -3.731 25588 12923 1 16 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.025 -1.615 25588 12924 1 16 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.038 -4.338 25588 12925 1 16 . 1 1 129 129 ASP H H 129 7.871 7.871 7.664 0.207 25588 12926 1 16 . 1 1 130 130 ILE N N 130 128.000 128.000 121.660 6.340 25588 12927 1 16 . 1 1 130 130 ILE HA H 130 3.917 3.917 3.919 -0.002 25588 12928 1 16 . 1 1 130 130 ILE C C 130 175.300 175.300 176.715 -1.415 25588 12929 1 16 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.916 -2.205 25588 12930 1 16 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.497 -1.687 25588 12931 1 16 . 1 1 130 130 ILE H H 130 8.384 8.384 8.481 -0.097 25588 12932 1 16 . 1 1 131 131 ASP N N 131 116.800 116.800 119.969 -3.169 25588 12933 1 16 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.474 0.076 25588 12934 1 16 . 1 1 131 131 ASP C C 131 175.600 175.600 177.555 -1.955 25588 12935 1 16 . 1 1 131 131 ASP CA C 131 51.220 51.220 55.842 -4.622 25588 12936 1 16 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.293 -4.063 25588 12937 1 16 . 1 1 131 131 ASP H H 131 8.281 8.281 7.938 0.343 25588 12938 1 16 . 1 1 132 132 GLY N N 132 108.500 108.500 107.437 1.063 25588 12939 1 16 . 1 1 132 132 GLY C C 132 172.600 172.600 175.155 -2.555 25588 12940 1 16 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.061 -1.211 25588 12941 1 16 . 1 1 132 132 GLY H H 132 7.575 7.575 8.261 -0.686 25588 12942 1 16 . 1 1 133 133 ASP N N 133 120.800 120.800 119.483 1.317 25588 12943 1 16 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.583 -0.119 25588 12944 1 16 . 1 1 133 133 ASP C C 133 174.900 174.900 177.124 -2.224 25588 12945 1 16 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.023 -2.033 25588 12946 1 16 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.925 -3.336 25588 12947 1 16 . 1 1 133 133 ASP H H 133 8.326 8.326 7.739 0.587 25588 12948 1 16 . 1 1 134 134 GLY N N 134 112.900 112.900 109.441 3.459 25588 12949 1 16 . 1 1 134 134 GLY C C 134 170.200 170.200 172.507 -2.307 25588 12950 1 16 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.547 -2.498 25588 12951 1 16 . 1 1 134 134 GLY H H 134 10.310 10.310 7.818 2.492 25588 12952 1 16 . 1 1 135 135 GLN N N 135 115.400 115.400 120.744 -5.344 25588 12953 1 16 . 1 1 135 135 GLN HA H 135 4.860 4.860 5.211 -0.351 25588 12954 1 16 . 1 1 135 135 GLN C C 135 172.100 172.100 173.637 -1.537 25588 12955 1 16 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.180 -3.650 25588 12956 1 16 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.885 -2.865 25588 12957 1 16 . 1 1 135 135 GLN H H 135 7.937 7.937 8.052 -0.115 25588 12958 1 16 . 1 1 136 136 VAL N N 136 125.500 125.500 122.537 2.963 25588 12959 1 16 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.659 0.531 25588 12960 1 16 . 1 1 136 136 VAL C C 136 173.200 173.200 174.478 -1.278 25588 12961 1 16 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.599 -1.499 25588 12962 1 16 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.801 -3.881 25588 12963 1 16 . 1 1 136 136 VAL H H 136 9.112 9.112 8.676 0.436 25588 12964 1 16 . 1 1 137 137 ASN N N 137 129.000 129.000 122.620 6.380 25588 12965 1 16 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.277 -0.045 25588 12966 1 16 . 1 1 137 137 ASN C C 137 172.200 172.200 174.852 -2.652 25588 12967 1 16 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.859 -3.399 25588 12968 1 16 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.818 -6.128 25588 12969 1 16 . 1 1 137 137 ASN H H 137 9.509 9.509 8.235 1.274 25588 12970 1 16 . 1 1 138 138 TYR N N 138 118.400 118.400 123.038 -4.638 25588 12971 1 16 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.310 -0.886 25588 12972 1 16 . 1 1 138 138 TYR C C 138 173.500 173.500 177.146 -3.646 25588 12973 1 16 . 1 1 138 138 TYR CA C 138 60.030 60.030 63.015 -2.985 25588 12974 1 16 . 1 1 138 138 TYR H H 138 8.420 8.420 9.313 -0.893 25588 12975 1 16 . 1 1 139 139 GLU N N 139 118.400 118.400 118.328 0.072 25588 12976 1 16 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.902 -0.261 25588 12977 1 16 . 1 1 139 139 GLU C C 139 177.900 177.900 179.053 -1.153 25588 12978 1 16 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.082 -2.342 25588 12979 1 16 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.773 -2.383 25588 12980 1 16 . 1 1 139 139 GLU H H 139 8.066 8.066 8.957 -0.891 25588 12981 1 16 . 1 1 140 140 GLU N N 140 119.900 119.900 119.401 0.499 25588 12982 1 16 . 1 1 140 140 GLU C C 140 176.700 176.700 178.739 -2.039 25588 12983 1 16 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.648 -2.748 25588 12984 1 16 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.262 -2.062 25588 12985 1 16 . 1 1 140 140 GLU H H 140 8.728 8.728 8.407 0.321 25588 12986 1 16 . 1 1 141 141 PHE N N 141 124.600 124.600 120.762 3.838 25588 12987 1 16 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.093 -0.109 25588 12988 1 16 . 1 1 141 141 PHE C C 141 174.200 174.200 177.479 -3.279 25588 12989 1 16 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.210 -3.250 25588 12990 1 16 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.701 -1.431 25588 12991 1 16 . 1 1 141 141 PHE H H 141 8.920 8.920 8.432 0.488 25588 12992 1 16 . 1 1 142 142 VAL N N 142 119.300 119.300 117.863 1.437 25588 12993 1 16 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.488 -0.367 25588 12994 1 16 . 1 1 142 142 VAL C C 142 176.900 176.900 177.440 -0.540 25588 12995 1 16 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.529 -2.099 25588 12996 1 16 . 1 1 142 142 VAL H H 142 8.536 8.536 7.259 1.277 25588 12997 1 16 . 1 1 143 143 GLN N N 143 118.200 118.200 117.541 0.659 25588 12998 1 16 . 1 1 143 143 GLN HA H 143 3.851 3.851 3.991 -0.140 25588 12999 1 16 . 1 1 143 143 GLN C C 143 175.300 175.300 178.881 -3.581 25588 13000 1 16 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.953 -1.693 25588 13001 1 16 . 1 1 143 143 GLN H H 143 7.404 7.404 7.425 -0.021 25588 13002 1 16 . 1 1 144 144 MET N N 144 119.400 119.400 118.991 0.409 25588 13003 1 16 . 1 1 144 144 MET HA H 144 4.107 4.107 4.163 -0.056 25588 13004 1 16 . 1 1 144 144 MET C C 144 175.400 175.400 176.536 -1.136 25588 13005 1 16 . 1 1 144 144 MET CA C 144 55.500 55.500 58.176 -2.676 25588 13006 1 16 . 1 1 144 144 MET CB C 144 30.460 30.460 33.284 -2.824 25588 13007 1 16 . 1 1 144 144 MET H H 144 7.878 7.878 7.879 -0.001 25588 13008 1 16 . 1 1 145 145 MET N N 145 115.000 115.000 117.012 -2.012 25588 13009 1 16 . 1 1 145 145 MET HA H 145 4.281 4.281 4.645 -0.364 25588 13010 1 16 . 1 1 145 145 MET C C 145 174.900 174.900 174.744 0.156 25588 13011 1 16 . 1 1 145 145 MET CA C 145 52.740 52.740 55.279 -2.539 25588 13012 1 16 . 1 1 145 145 MET H H 145 7.852 7.852 7.426 0.426 25588 13013 1 16 . 1 1 146 146 THR N N 146 111.100 111.100 117.389 -6.289 25588 13014 1 16 . 1 1 146 146 THR HA H 146 4.306 4.306 4.441 -0.135 25588 13015 1 16 . 1 1 146 146 THR C C 146 171.600 171.600 173.516 -1.916 25588 13016 1 16 . 1 1 146 146 THR CA C 146 59.830 59.830 61.621 -1.792 25588 13017 1 16 . 1 1 146 146 THR CB C 146 67.510 67.510 69.224 -1.714 25588 13018 1 16 . 1 1 146 146 THR H H 146 7.571 7.571 8.405 -0.834 25588 13019 1 16 . 1 1 147 147 ALA N N 147 126.300 126.300 126.629 -0.329 25588 13020 1 16 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.094 0.206 25588 13021 1 16 . 1 1 147 147 ALA C C 147 174.000 174.000 176.527 -2.527 25588 13022 1 16 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.072 -3.882 25588 13023 1 16 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.482 -3.002 25588 13024 1 16 . 1 1 147 147 ALA H H 147 7.723 7.723 7.804 -0.081 25588 13025 1 17 . 1 1 2 2 ASP N N 2 118.400 118.400 121.595 -3.195 25588 13026 1 17 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.740 -0.126 25588 13027 1 17 . 1 1 2 2 ASP C C 2 173.000 173.000 176.338 -3.338 25588 13028 1 17 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.085 -2.065 25588 13029 1 17 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.250 -2.430 25588 13030 1 17 . 1 1 2 2 ASP H H 2 8.311 8.311 8.291 0.020 25588 13031 1 17 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.148 0.206 25588 13032 1 17 . 1 1 3 3 GLN C C 3 173.000 173.000 175.632 -2.632 25588 13033 1 17 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.859 -3.949 25588 13034 1 17 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.562 -2.412 25588 13035 1 17 . 1 1 3 3 GLN H H 3 8.321 8.321 8.667 -0.346 25588 13036 1 17 . 1 1 4 4 LEU N N 4 123.200 123.200 120.448 2.752 25588 13037 1 17 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.694 -0.044 25588 13038 1 17 . 1 1 4 4 LEU C C 4 175.100 175.100 175.275 -0.175 25588 13039 1 17 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.172 -2.382 25588 13040 1 17 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.486 -2.626 25588 13041 1 17 . 1 1 4 4 LEU H H 4 8.268 8.268 8.183 0.085 25588 13042 1 17 . 1 1 5 5 THR N N 5 113.000 113.000 116.570 -3.570 25588 13043 1 17 . 1 1 5 5 THR HA H 5 4.754 4.754 4.599 0.155 25588 13044 1 17 . 1 1 5 5 THR C C 5 172.800 172.800 174.976 -2.176 25588 13045 1 17 . 1 1 5 5 THR CA C 5 57.880 57.880 60.261 -2.381 25588 13046 1 17 . 1 1 5 5 THR CB C 5 68.480 68.480 71.243 -2.763 25588 13047 1 17 . 1 1 5 5 THR H H 5 8.682 8.682 8.023 0.659 25588 13048 1 17 . 1 1 6 6 GLU N N 6 120.500 120.500 121.605 -1.105 25588 13049 1 17 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.029 -0.066 25588 13050 1 17 . 1 1 6 6 GLU C C 6 176.800 176.800 177.934 -1.134 25588 13051 1 17 . 1 1 6 6 GLU CA C 6 57.430 57.430 58.864 -1.434 25588 13052 1 17 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.290 -2.770 25588 13053 1 17 . 1 1 6 6 GLU H H 6 8.990 8.990 9.005 -0.015 25588 13054 1 17 . 1 1 7 7 GLU N N 7 119.600 119.600 118.229 1.371 25588 13055 1 17 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.000 0.069 25588 13056 1 17 . 1 1 7 7 GLU C C 7 176.500 176.500 178.973 -2.473 25588 13057 1 17 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.259 -1.879 25588 13058 1 17 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.230 -2.800 25588 13059 1 17 . 1 1 7 7 GLU H H 7 8.668 8.668 8.763 -0.095 25588 13060 1 17 . 1 1 8 8 GLN N N 8 120.100 120.100 117.732 2.368 25588 13061 1 17 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.357 -0.488 25588 13062 1 17 . 1 1 8 8 GLN C C 8 175.700 175.700 178.968 -3.268 25588 13063 1 17 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.379 -2.429 25588 13064 1 17 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.806 -1.996 25588 13065 1 17 . 1 1 8 8 GLN H H 8 7.721 7.721 7.518 0.203 25588 13066 1 17 . 1 1 9 9 ILE N N 9 119.600 119.600 120.815 -1.215 25588 13067 1 17 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.858 -0.146 25588 13068 1 17 . 1 1 9 9 ILE C C 9 175.100 175.100 177.850 -2.750 25588 13069 1 17 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.707 -1.177 25588 13070 1 17 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.858 -2.779 25588 13071 1 17 . 1 1 9 9 ILE H H 9 8.373 8.373 7.532 0.841 25588 13072 1 17 . 1 1 10 10 ALA N N 10 121.300 121.300 121.223 0.077 25588 13073 1 17 . 1 1 10 10 ALA C C 10 178.400 178.400 179.028 -0.628 25588 13074 1 17 . 1 1 10 10 ALA CA C 10 52.790 52.790 54.914 -2.124 25588 13075 1 17 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.863 -2.503 25588 13076 1 17 . 1 1 10 10 ALA H H 10 7.984 7.984 8.301 -0.317 25588 13077 1 17 . 1 1 11 11 GLU N N 11 119.500 119.500 119.697 -0.197 25588 13078 1 17 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.930 0.217 25588 13079 1 17 . 1 1 11 11 GLU C C 11 177.900 177.900 179.194 -1.294 25588 13080 1 17 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.147 -2.477 25588 13081 1 17 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.327 -2.827 25588 13082 1 17 . 1 1 11 11 GLU H H 11 7.779 7.779 7.710 0.069 25588 13083 1 17 . 1 1 12 12 PHE N N 12 120.200 120.200 117.860 2.340 25588 13084 1 17 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.319 0.701 25588 13085 1 17 . 1 1 12 12 PHE C C 12 176.100 176.100 177.857 -1.757 25588 13086 1 17 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.294 -4.684 25588 13087 1 17 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.847 -3.567 25588 13088 1 17 . 1 1 12 12 PHE H H 12 8.562 8.562 8.358 0.204 25588 13089 1 17 . 1 1 13 13 LYS N N 13 123.500 123.500 120.015 3.485 25588 13090 1 17 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.078 -0.089 25588 13091 1 17 . 1 1 13 13 LYS C C 13 176.700 176.700 179.072 -2.372 25588 13092 1 17 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.706 -2.186 25588 13093 1 17 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.361 -3.051 25588 13094 1 17 . 1 1 13 13 LYS H H 13 9.161 9.161 7.650 1.511 25588 13095 1 17 . 1 1 14 14 GLU N N 14 120.400 120.400 118.105 2.295 25588 13096 1 17 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.205 -0.080 25588 13097 1 17 . 1 1 14 14 GLU C C 14 176.800 176.800 178.988 -2.188 25588 13098 1 17 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.668 -1.938 25588 13099 1 17 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.461 -2.861 25588 13100 1 17 . 1 1 14 14 GLU H H 14 7.786 7.786 8.310 -0.524 25588 13101 1 17 . 1 1 15 15 ALA N N 15 122.600 122.600 121.528 1.072 25588 13102 1 17 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.973 0.310 25588 13103 1 17 . 1 1 15 15 ALA C C 15 176.400 176.400 179.099 -2.699 25588 13104 1 17 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.549 -1.959 25588 13105 1 17 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.057 -2.517 25588 13106 1 17 . 1 1 15 15 ALA H H 15 7.981 7.981 7.890 0.091 25588 13107 1 17 . 1 1 16 16 PHE N N 16 119.400 119.400 118.509 0.891 25588 13108 1 17 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.491 -1.285 25588 13109 1 17 . 1 1 16 16 PHE C C 16 174.600 174.600 177.293 -2.693 25588 13110 1 17 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.235 -1.875 25588 13111 1 17 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.194 -2.154 25588 13112 1 17 . 1 1 16 16 PHE H H 16 8.796 8.796 7.813 0.983 25588 13113 1 17 . 1 1 17 17 SER N N 17 112.600 112.600 114.379 -1.779 25588 13114 1 17 . 1 1 17 17 SER HA H 17 4.028 4.028 4.155 -0.127 25588 13115 1 17 . 1 1 17 17 SER C C 17 172.400 172.400 175.669 -3.269 25588 13116 1 17 . 1 1 17 17 SER CA C 17 58.820 58.820 60.324 -1.504 25588 13117 1 17 . 1 1 17 17 SER CB C 17 60.680 60.680 63.514 -2.834 25588 13118 1 17 . 1 1 17 17 SER H H 17 7.898 7.898 7.795 0.103 25588 13119 1 17 . 1 1 18 18 LEU N N 18 121.000 121.000 123.825 -2.825 25588 13120 1 17 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.917 0.078 25588 13121 1 17 . 1 1 18 18 LEU C C 18 175.300 175.300 177.606 -2.306 25588 13122 1 17 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.623 -3.133 25588 13123 1 17 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.428 -2.558 25588 13124 1 17 . 1 1 18 18 LEU H H 18 7.426 7.426 7.189 0.237 25588 13125 1 17 . 1 1 19 19 PHE N N 19 115.200 115.200 115.162 0.038 25588 13126 1 17 . 1 1 19 19 PHE C C 19 174.100 174.100 178.003 -3.903 25588 13127 1 17 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.320 -4.680 25588 13128 1 17 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.379 -0.129 25588 13129 1 17 . 1 1 19 19 PHE H H 19 7.309 7.309 7.539 -0.230 25588 13130 1 17 . 1 1 20 20 ASP N N 20 117.700 117.700 118.425 -0.725 25588 13131 1 17 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.527 0.013 25588 13132 1 17 . 1 1 20 20 ASP C C 20 174.500 174.500 178.081 -3.581 25588 13133 1 17 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.478 -4.758 25588 13134 1 17 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.907 -4.707 25588 13135 1 17 . 1 1 20 20 ASP H H 20 7.814 7.814 7.843 -0.029 25588 13136 1 17 . 1 1 21 21 LYS N N 21 124.400 124.400 119.337 5.063 25588 13137 1 17 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.877 0.077 25588 13138 1 17 . 1 1 21 21 LYS C C 21 175.500 175.500 177.659 -2.159 25588 13139 1 17 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.094 -3.204 25588 13140 1 17 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.221 -2.161 25588 13141 1 17 . 1 1 21 21 LYS H H 21 7.652 7.652 7.581 0.071 25588 13142 1 17 . 1 1 22 22 ASP N N 22 113.900 113.900 116.772 -2.872 25588 13143 1 17 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.363 0.222 25588 13144 1 17 . 1 1 22 22 ASP C C 22 175.000 175.000 177.091 -2.091 25588 13145 1 17 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.671 -5.541 25588 13146 1 17 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.992 -4.082 25588 13147 1 17 . 1 1 22 22 ASP H H 22 8.056 8.056 7.752 0.304 25588 13148 1 17 . 1 1 23 23 GLY N N 23 109.200 109.200 109.065 0.135 25588 13149 1 17 . 1 1 23 23 GLY C C 23 172.300 172.300 173.633 -1.333 25588 13150 1 17 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.637 -0.047 25588 13151 1 17 . 1 1 23 23 GLY H H 23 7.660 7.660 7.721 -0.061 25588 13152 1 17 . 1 1 24 24 ASP N N 24 118.600 118.600 118.437 0.163 25588 13153 1 17 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.532 0.085 25588 13154 1 17 . 1 1 24 24 ASP C C 24 174.200 174.200 175.804 -1.604 25588 13155 1 17 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.277 -5.307 25588 13156 1 17 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.011 -5.921 25588 13157 1 17 . 1 1 24 24 ASP H H 24 8.052 8.052 8.391 -0.339 25588 13158 1 17 . 1 1 25 25 GLY N N 25 113.400 113.400 107.705 5.695 25588 13159 1 17 . 1 1 25 25 GLY C C 25 170.600 170.600 173.048 -2.448 25588 13160 1 17 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.924 -1.764 25588 13161 1 17 . 1 1 25 25 GLY H H 25 10.570 10.570 7.983 2.587 25588 13162 1 17 . 1 1 26 26 THR N N 26 109.100 109.100 117.861 -8.761 25588 13163 1 17 . 1 1 26 26 THR HA H 26 5.271 5.271 4.378 0.893 25588 13164 1 17 . 1 1 26 26 THR C C 26 170.200 170.200 172.616 -2.416 25588 13165 1 17 . 1 1 26 26 THR CA C 26 57.170 57.170 61.934 -4.764 25588 13166 1 17 . 1 1 26 26 THR CB C 26 69.920 69.920 72.207 -2.287 25588 13167 1 17 . 1 1 26 26 THR H H 26 7.661 7.661 8.054 -0.393 25588 13168 1 17 . 1 1 27 27 ILE N N 27 127.100 127.100 127.082 0.018 25588 13169 1 17 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.538 0.433 25588 13170 1 17 . 1 1 27 27 ILE C C 27 173.400 173.400 174.905 -1.505 25588 13171 1 17 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.662 -1.842 25588 13172 1 17 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.519 -2.799 25588 13173 1 17 . 1 1 27 27 ILE H H 27 9.766 9.766 8.195 1.571 25588 13174 1 17 . 1 1 28 28 THR N N 28 116.500 116.500 116.214 0.286 25588 13175 1 17 . 1 1 28 28 THR HA H 28 4.802 4.802 5.012 -0.210 25588 13176 1 17 . 1 1 28 28 THR C C 28 173.900 173.900 176.068 -2.168 25588 13177 1 17 . 1 1 28 28 THR CA C 28 56.980 56.980 59.619 -2.639 25588 13178 1 17 . 1 1 28 28 THR CB C 28 69.730 69.730 72.589 -2.859 25588 13179 1 17 . 1 1 28 28 THR H H 28 8.458 8.458 7.627 0.831 25588 13180 1 17 . 1 1 29 29 THR N N 29 112.900 112.900 113.189 -0.289 25588 13181 1 17 . 1 1 29 29 THR HA H 29 4.169 4.169 4.023 0.146 25588 13182 1 17 . 1 1 29 29 THR C C 29 174.500 174.500 176.533 -2.033 25588 13183 1 17 . 1 1 29 29 THR CA C 29 63.940 63.940 66.292 -2.352 25588 13184 1 17 . 1 1 29 29 THR CB C 29 65.170 65.170 68.591 -3.421 25588 13185 1 17 . 1 1 29 29 THR H H 29 9.066 9.066 8.926 0.140 25588 13186 1 17 . 1 1 30 30 LYS N N 30 120.800 120.800 121.742 -0.942 25588 13187 1 17 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.949 0.162 25588 13188 1 17 . 1 1 30 30 LYS C C 30 177.200 177.200 178.671 -1.471 25588 13189 1 17 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.356 -2.826 25588 13190 1 17 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.274 -2.314 25588 13191 1 17 . 1 1 30 30 LYS H H 30 7.664 7.664 7.741 -0.077 25588 13192 1 17 . 1 1 31 31 GLU N N 31 121.400 121.400 119.016 2.384 25588 13193 1 17 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.989 0.076 25588 13194 1 17 . 1 1 31 31 GLU C C 31 176.500 176.500 179.343 -2.843 25588 13195 1 17 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.064 -2.484 25588 13196 1 17 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.765 -2.605 25588 13197 1 17 . 1 1 31 31 GLU H H 31 7.635 7.635 7.510 0.125 25588 13198 1 17 . 1 1 32 32 LEU N N 32 120.600 120.600 120.968 -0.368 25588 13199 1 17 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.334 -0.252 25588 13200 1 17 . 1 1 32 32 LEU C C 32 176.300 176.300 178.857 -2.557 25588 13201 1 17 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.379 -1.969 25588 13202 1 17 . 1 1 32 32 LEU CB C 32 39.970 39.970 42.009 -2.039 25588 13203 1 17 . 1 1 32 32 LEU H H 32 8.699 8.699 7.813 0.886 25588 13204 1 17 . 1 1 33 33 GLY N N 33 105.600 105.600 104.309 1.291 25588 13205 1 17 . 1 1 33 33 GLY C C 33 172.500 172.500 176.076 -3.576 25588 13206 1 17 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.520 -1.800 25588 13207 1 17 . 1 1 33 33 GLY H H 33 8.616 8.616 8.834 -0.218 25588 13208 1 17 . 1 1 34 34 THR N N 34 118.000 118.000 119.433 -1.433 25588 13209 1 17 . 1 1 34 34 THR HA H 34 3.913 3.913 3.965 -0.052 25588 13210 1 17 . 1 1 34 34 THR C C 34 174.500 174.500 176.372 -1.872 25588 13211 1 17 . 1 1 34 34 THR CA C 34 64.250 64.250 66.519 -2.269 25588 13212 1 17 . 1 1 34 34 THR CB C 34 66.100 66.100 68.627 -2.527 25588 13213 1 17 . 1 1 34 34 THR H H 34 7.867 7.867 7.458 0.409 25588 13214 1 17 . 1 1 35 35 VAL N N 35 122.100 122.100 121.376 0.724 25588 13215 1 17 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.623 -0.165 25588 13216 1 17 . 1 1 35 35 VAL C C 35 176.500 176.500 177.014 -0.514 25588 13217 1 17 . 1 1 35 35 VAL CA C 35 63.630 63.630 66.020 -2.390 25588 13218 1 17 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.159 -3.039 25588 13219 1 17 . 1 1 35 35 VAL H H 35 7.613 7.613 8.065 -0.452 25588 13220 1 17 . 1 1 36 36 MET N N 36 118.400 118.400 117.192 1.208 25588 13221 1 17 . 1 1 36 36 MET HA H 36 4.095 4.095 4.055 0.040 25588 13222 1 17 . 1 1 36 36 MET C C 36 176.500 176.500 177.798 -1.298 25588 13223 1 17 . 1 1 36 36 MET CA C 36 56.420 56.420 57.664 -1.244 25588 13224 1 17 . 1 1 36 36 MET H H 36 8.440 8.440 7.436 1.004 25588 13225 1 17 . 1 1 37 37 ARG N N 37 119.000 119.000 117.758 1.242 25588 13226 1 17 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.054 0.747 25588 13227 1 17 . 1 1 37 37 ARG C C 37 178.500 178.500 179.384 -0.884 25588 13228 1 17 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.190 -2.770 25588 13229 1 17 . 1 1 37 37 ARG H H 37 8.474 8.474 8.017 0.457 25588 13230 1 17 . 1 1 38 38 SER N N 38 118.800 118.800 116.039 2.761 25588 13231 1 17 . 1 1 38 38 SER HA H 38 4.380 4.380 4.199 0.181 25588 13232 1 17 . 1 1 38 38 SER C C 38 172.200 172.200 176.092 -3.892 25588 13233 1 17 . 1 1 38 38 SER CA C 38 58.930 58.930 61.121 -2.191 25588 13234 1 17 . 1 1 38 38 SER CB C 38 60.200 60.200 62.937 -2.737 25588 13235 1 17 . 1 1 38 38 SER H H 38 7.899 7.899 7.920 -0.021 25588 13236 1 17 . 1 1 39 39 LEU N N 39 120.600 120.600 118.132 2.468 25588 13237 1 17 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.571 -0.076 25588 13238 1 17 . 1 1 39 39 LEU C C 39 174.800 174.800 177.760 -2.960 25588 13239 1 17 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.929 -1.999 25588 13240 1 17 . 1 1 39 39 LEU H H 39 7.364 7.364 7.442 -0.078 25588 13241 1 17 . 1 1 40 40 GLY N N 40 106.800 106.800 109.297 -2.497 25588 13242 1 17 . 1 1 40 40 GLY C C 40 171.700 171.700 174.319 -2.619 25588 13243 1 17 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.566 -3.595 25588 13244 1 17 . 1 1 40 40 GLY H H 40 7.862 7.862 8.095 -0.233 25588 13245 1 17 . 1 1 41 41 GLN N N 41 118.400 118.400 122.763 -4.363 25588 13246 1 17 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.454 0.026 25588 13247 1 17 . 1 1 41 41 GLN C C 41 171.400 171.400 173.362 -1.962 25588 13248 1 17 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.324 -3.434 25588 13249 1 17 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.512 -3.432 25588 13250 1 17 . 1 1 41 41 GLN H H 41 7.788 7.788 8.583 -0.795 25588 13251 1 17 . 1 1 42 42 ASN N N 42 116.300 116.300 122.683 -6.383 25588 13252 1 17 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.357 -0.164 25588 13253 1 17 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.545 -0.925 25588 13254 1 17 . 1 1 42 42 ASN H H 42 8.665 8.665 8.347 0.318 25588 13255 1 17 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.057 0.678 25588 13256 1 17 . 1 1 43 43 PRO C C 43 175.100 175.100 178.596 -3.496 25588 13257 1 17 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.846 -6.066 25588 13258 1 17 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.652 -2.262 25588 13259 1 17 . 1 1 44 44 THR N N 44 112.900 112.900 113.066 -0.166 25588 13260 1 17 . 1 1 44 44 THR HA H 44 4.707 4.707 3.960 0.747 25588 13261 1 17 . 1 1 44 44 THR C C 44 172.600 172.600 176.821 -4.221 25588 13262 1 17 . 1 1 44 44 THR CA C 44 57.830 57.830 66.639 -8.809 25588 13263 1 17 . 1 1 44 44 THR CB C 44 68.490 68.490 68.339 0.151 25588 13264 1 17 . 1 1 44 44 THR H H 44 8.702 8.702 7.928 0.774 25588 13265 1 17 . 1 1 45 45 GLU N N 45 120.800 120.800 120.183 0.617 25588 13266 1 17 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.296 -0.321 25588 13267 1 17 . 1 1 45 45 GLU C C 45 176.300 176.300 178.409 -2.109 25588 13268 1 17 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.281 -0.821 25588 13269 1 17 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.574 -3.154 25588 13270 1 17 . 1 1 45 45 GLU H H 45 8.789 8.789 8.574 0.215 25588 13271 1 17 . 1 1 46 46 ALA N N 46 120.700 120.700 123.930 -3.230 25588 13272 1 17 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.018 0.071 25588 13273 1 17 . 1 1 46 46 ALA C C 46 177.700 177.700 179.530 -1.830 25588 13274 1 17 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.370 -2.960 25588 13275 1 17 . 1 1 46 46 ALA CB C 46 15.650 15.650 18.025 -2.375 25588 13276 1 17 . 1 1 46 46 ALA H H 46 8.241 8.241 8.225 0.016 25588 13277 1 17 . 1 1 47 47 GLU N N 47 118.900 118.900 118.087 0.813 25588 13278 1 17 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.148 -0.146 25588 13279 1 17 . 1 1 47 47 GLU C C 47 177.500 177.500 179.339 -1.839 25588 13280 1 17 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.727 -2.317 25588 13281 1 17 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.670 -2.610 25588 13282 1 17 . 1 1 47 47 GLU H H 47 7.682 7.682 7.925 -0.243 25588 13283 1 17 . 1 1 48 48 LEU N N 48 120.600 120.600 119.946 0.654 25588 13284 1 17 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.011 0.050 25588 13285 1 17 . 1 1 48 48 LEU C C 48 175.900 175.900 178.650 -2.750 25588 13286 1 17 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.097 -1.827 25588 13287 1 17 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.405 -1.665 25588 13288 1 17 . 1 1 48 48 LEU H H 48 8.169 8.169 7.475 0.694 25588 13289 1 17 . 1 1 49 49 GLN N N 49 118.200 118.200 119.906 -1.706 25588 13290 1 17 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.844 -0.017 25588 13291 1 17 . 1 1 49 49 GLN C C 49 175.900 175.900 178.047 -2.147 25588 13292 1 17 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.221 -3.252 25588 13293 1 17 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.863 -2.343 25588 13294 1 17 . 1 1 49 49 GLN H H 49 8.179 8.179 8.198 -0.019 25588 13295 1 17 . 1 1 50 50 ASP N N 50 119.900 119.900 118.772 1.128 25588 13296 1 17 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.446 -0.063 25588 13297 1 17 . 1 1 50 50 ASP C C 50 175.900 175.900 178.211 -2.311 25588 13298 1 17 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.867 -1.917 25588 13299 1 17 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.824 -3.034 25588 13300 1 17 . 1 1 50 50 ASP H H 50 8.037 8.037 7.630 0.407 25588 13301 1 17 . 1 1 51 51 MET N N 51 119.300 119.300 120.710 -1.410 25588 13302 1 17 . 1 1 51 51 MET HA H 51 4.028 4.028 4.096 -0.068 25588 13303 1 17 . 1 1 51 51 MET C C 51 176.200 176.200 178.163 -1.963 25588 13304 1 17 . 1 1 51 51 MET CA C 51 56.710 56.710 59.171 -2.461 25588 13305 1 17 . 1 1 51 51 MET CB C 51 30.570 30.570 32.732 -2.162 25588 13306 1 17 . 1 1 51 51 MET H H 51 7.855 7.855 7.321 0.534 25588 13307 1 17 . 1 1 52 52 ILE N N 52 118.200 118.200 119.400 -1.200 25588 13308 1 17 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.507 -0.018 25588 13309 1 17 . 1 1 52 52 ILE C C 52 175.100 175.100 177.873 -2.773 25588 13310 1 17 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.788 -3.568 25588 13311 1 17 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.754 1.576 25588 13312 1 17 . 1 1 52 52 ILE H H 52 7.701 7.701 8.861 -1.160 25588 13313 1 17 . 1 1 53 53 ASN N N 53 117.700 117.700 117.774 -0.074 25588 13314 1 17 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.353 0.008 25588 13315 1 17 . 1 1 53 53 ASN C C 53 174.800 174.800 177.477 -2.677 25588 13316 1 17 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.614 -3.324 25588 13317 1 17 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.266 -2.826 25588 13318 1 17 . 1 1 53 53 ASN H H 53 8.529 8.529 7.868 0.661 25588 13319 1 17 . 1 1 54 54 GLU N N 54 116.400 116.400 120.820 -4.420 25588 13320 1 17 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.056 -0.035 25588 13321 1 17 . 1 1 54 54 GLU C C 54 175.000 175.000 178.367 -3.367 25588 13322 1 17 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.325 -3.085 25588 13323 1 17 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.806 -1.976 25588 13324 1 17 . 1 1 54 54 GLU H H 54 7.573 7.573 7.908 -0.335 25588 13325 1 17 . 1 1 55 55 VAL N N 55 108.400 108.400 118.589 -10.189 25588 13326 1 17 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.883 0.563 25588 13327 1 17 . 1 1 55 55 VAL C C 55 173.100 173.100 177.513 -4.413 25588 13328 1 17 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.176 -7.086 25588 13329 1 17 . 1 1 55 55 VAL H H 55 7.204 7.204 7.737 -0.533 25588 13330 1 17 . 1 1 56 56 ASP N N 56 126.900 126.900 119.456 7.444 25588 13331 1 17 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.537 0.101 25588 13332 1 17 . 1 1 56 56 ASP CA C 56 51.050 51.050 54.929 -3.879 25588 13333 1 17 . 1 1 56 56 ASP CB C 56 37.480 37.480 41.002 -3.522 25588 13334 1 17 . 1 1 56 56 ASP H H 56 7.649 7.649 8.132 -0.483 25588 13335 1 17 . 1 1 57 57 ALA N N 57 131.900 131.900 121.310 10.590 25588 13336 1 17 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.207 -0.025 25588 13337 1 17 . 1 1 57 57 ALA C C 57 176.000 176.000 177.645 -1.645 25588 13338 1 17 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.248 -1.558 25588 13339 1 17 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.070 -1.171 25588 13340 1 17 . 1 1 57 57 ALA H H 57 8.458 8.458 7.903 0.555 25588 13341 1 17 . 1 1 58 58 ASP N N 58 113.800 113.800 118.099 -4.299 25588 13342 1 17 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.427 0.184 25588 13343 1 17 . 1 1 58 58 ASP C C 58 175.200 175.200 176.934 -1.734 25588 13344 1 17 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.223 -5.183 25588 13345 1 17 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.616 -3.416 25588 13346 1 17 . 1 1 58 58 ASP H H 58 8.125 8.125 7.740 0.385 25588 13347 1 17 . 1 1 59 59 GLY N N 59 108.400 108.400 106.619 1.781 25588 13348 1 17 . 1 1 59 59 GLY C C 59 172.500 172.500 173.313 -0.813 25588 13349 1 17 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.254 -0.594 25588 13350 1 17 . 1 1 59 59 GLY H H 59 7.550 7.550 7.811 -0.261 25588 13351 1 17 . 1 1 60 60 ASN N N 60 120.600 120.600 117.030 3.570 25588 13352 1 17 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.732 -0.245 25588 13353 1 17 . 1 1 60 60 ASN C C 60 174.800 174.800 174.796 0.004 25588 13354 1 17 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.684 -1.504 25588 13355 1 17 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.550 -1.710 25588 13356 1 17 . 1 1 60 60 ASN H H 60 8.356 8.356 8.159 0.197 25588 13357 1 17 . 1 1 61 61 GLY N N 61 113.300 113.300 107.034 6.266 25588 13358 1 17 . 1 1 61 61 GLY C C 61 171.100 171.100 173.790 -2.690 25588 13359 1 17 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.683 -2.853 25588 13360 1 17 . 1 1 61 61 GLY H H 61 10.610 10.610 8.736 1.874 25588 13361 1 17 . 1 1 62 62 THR N N 62 112.900 112.900 112.267 0.633 25588 13362 1 17 . 1 1 62 62 THR HA H 62 4.756 4.756 5.219 -0.463 25588 13363 1 17 . 1 1 62 62 THR C C 62 170.500 170.500 173.437 -2.937 25588 13364 1 17 . 1 1 62 62 THR CA C 62 57.050 57.050 59.577 -2.527 25588 13365 1 17 . 1 1 62 62 THR CB C 62 69.100 69.100 72.079 -2.979 25588 13366 1 17 . 1 1 62 62 THR H H 62 8.111 8.111 7.682 0.429 25588 13367 1 17 . 1 1 63 63 ILE N N 63 123.900 123.900 124.775 -0.875 25588 13368 1 17 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.292 0.860 25588 13369 1 17 . 1 1 63 63 ILE C C 63 172.900 172.900 174.818 -1.918 25588 13370 1 17 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.354 -2.994 25588 13371 1 17 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.399 -4.539 25588 13372 1 17 . 1 1 63 63 ILE H H 63 8.905 8.905 8.868 0.037 25588 13373 1 17 . 1 1 64 64 ASP N N 64 128.200 128.200 126.973 1.227 25588 13374 1 17 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.616 0.726 25588 13375 1 17 . 1 1 64 64 ASP C C 64 173.700 173.700 177.183 -3.483 25588 13376 1 17 . 1 1 64 64 ASP CA C 64 49.470 49.470 55.240 -5.770 25588 13377 1 17 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.397 -1.747 25588 13378 1 17 . 1 1 64 64 ASP H H 64 8.778 8.778 8.683 0.095 25588 13379 1 17 . 1 1 65 65 PHE N N 65 118.700 118.700 119.884 -1.184 25588 13380 1 17 . 1 1 65 65 PHE CA C 65 61.020 61.020 62.994 -1.974 25588 13381 1 17 . 1 1 65 65 PHE H H 65 8.903 8.903 8.944 -0.041 25588 13382 1 17 . 1 1 66 66 PRO C C 66 177.400 177.400 178.902 -1.502 25588 13383 1 17 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.481 -2.521 25588 13384 1 17 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.360 -3.300 25588 13385 1 17 . 1 1 67 67 GLU N N 67 117.600 117.600 117.607 -0.007 25588 13386 1 17 . 1 1 67 67 GLU C C 67 176.100 176.100 178.888 -2.788 25588 13387 1 17 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.392 -3.322 25588 13388 1 17 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.244 -2.494 25588 13389 1 17 . 1 1 67 67 GLU H H 67 7.894 7.894 8.740 -0.846 25588 13390 1 17 . 1 1 68 68 PHE N N 68 123.500 123.500 121.971 1.529 25588 13391 1 17 . 1 1 68 68 PHE C C 68 174.400 174.400 177.029 -2.629 25588 13392 1 17 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.709 -3.099 25588 13393 1 17 . 1 1 68 68 PHE CB C 68 37.520 37.520 39.028 -1.508 25588 13394 1 17 . 1 1 68 68 PHE H H 68 8.826 8.826 7.771 1.055 25588 13395 1 17 . 1 1 69 69 LEU N N 69 119.000 119.000 118.815 0.185 25588 13396 1 17 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.889 -0.555 25588 13397 1 17 . 1 1 69 69 LEU C C 69 176.600 176.600 178.975 -2.375 25588 13398 1 17 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.333 -2.983 25588 13399 1 17 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.649 -3.469 25588 13400 1 17 . 1 1 69 69 LEU H H 69 8.321 8.321 8.546 -0.225 25588 13401 1 17 . 1 1 70 70 THR N N 70 115.500 115.500 115.271 0.229 25588 13402 1 17 . 1 1 70 70 THR HA H 70 4.317 4.317 3.926 0.391 25588 13403 1 17 . 1 1 70 70 THR C C 70 173.400 173.400 176.349 -2.949 25588 13404 1 17 . 1 1 70 70 THR CA C 70 63.720 63.720 66.847 -3.127 25588 13405 1 17 . 1 1 70 70 THR CB C 70 65.630 65.630 68.651 -3.021 25588 13406 1 17 . 1 1 70 70 THR H H 70 7.476 7.476 7.733 -0.257 25588 13407 1 17 . 1 1 71 71 MET N N 71 121.700 121.700 121.502 0.198 25588 13408 1 17 . 1 1 71 71 MET HA H 71 3.758 3.758 3.983 -0.225 25588 13409 1 17 . 1 1 71 71 MET C C 71 175.600 175.600 177.724 -2.124 25588 13410 1 17 . 1 1 71 71 MET CA C 71 56.370 56.370 59.212 -2.842 25588 13411 1 17 . 1 1 71 71 MET CB C 71 30.590 30.590 32.621 -2.031 25588 13412 1 17 . 1 1 71 71 MET H H 71 7.774 7.774 8.520 -0.746 25588 13413 1 17 . 1 1 72 72 MET N N 72 116.900 116.900 117.160 -0.260 25588 13414 1 17 . 1 1 72 72 MET HA H 72 3.993 3.993 3.982 0.011 25588 13415 1 17 . 1 1 72 72 MET C C 72 175.900 175.900 178.287 -2.387 25588 13416 1 17 . 1 1 72 72 MET CA C 72 53.200 53.200 57.275 -4.075 25588 13417 1 17 . 1 1 72 72 MET CB C 72 28.520 28.520 30.955 -2.435 25588 13418 1 17 . 1 1 72 72 MET H H 72 8.082 8.082 8.175 -0.093 25588 13419 1 17 . 1 1 73 73 ALA N N 73 122.300 122.300 122.304 -0.004 25588 13420 1 17 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.919 0.155 25588 13421 1 17 . 1 1 73 73 ALA C C 73 177.200 177.200 179.039 -1.839 25588 13422 1 17 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.012 -3.042 25588 13423 1 17 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.331 -2.591 25588 13424 1 17 . 1 1 73 73 ALA H H 73 8.149 8.149 7.800 0.349 25588 13425 1 17 . 1 1 74 74 ARG N N 74 116.600 116.600 116.623 -0.023 25588 13426 1 17 . 1 1 74 74 ARG C C 74 175.200 175.200 178.378 -3.178 25588 13427 1 17 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.690 -3.130 25588 13428 1 17 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.334 -2.684 25588 13429 1 17 . 1 1 74 74 ARG H H 74 7.564 7.564 7.622 -0.058 25588 13430 1 17 . 1 1 75 75 LYS N N 75 118.800 118.800 117.227 1.573 25588 13431 1 17 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.139 0.056 25588 13432 1 17 . 1 1 75 75 LYS C C 75 175.100 175.100 177.700 -2.600 25588 13433 1 17 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.568 -2.838 25588 13434 1 17 . 1 1 75 75 LYS H H 75 7.668 7.668 7.878 -0.210 25588 13435 1 17 . 1 1 76 76 MET N N 76 118.300 118.300 117.700 0.600 25588 13436 1 17 . 1 1 76 76 MET HA H 76 4.331 4.331 4.482 -0.151 25588 13437 1 17 . 1 1 76 76 MET C C 76 173.900 173.900 175.229 -1.329 25588 13438 1 17 . 1 1 76 76 MET CA C 76 54.010 54.010 53.401 0.609 25588 13439 1 17 . 1 1 76 76 MET H H 76 7.861 7.861 7.968 -0.107 25588 13440 1 17 . 1 1 77 77 LYS N N 77 120.200 120.200 124.950 -4.750 25588 13441 1 17 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.379 -0.081 25588 13442 1 17 . 1 1 77 77 LYS C C 77 173.800 173.800 176.766 -2.966 25588 13443 1 17 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.767 -1.697 25588 13444 1 17 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.796 -3.426 25588 13445 1 17 . 1 1 77 77 LYS H H 77 7.797 7.797 8.435 -0.638 25588 13446 1 17 . 1 1 78 78 ASP N N 78 121.400 121.400 124.645 -3.245 25588 13447 1 17 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.397 0.276 25588 13448 1 17 . 1 1 78 78 ASP C C 78 173.900 173.900 177.794 -3.894 25588 13449 1 17 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.971 -3.071 25588 13450 1 17 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.429 -2.919 25588 13451 1 17 . 1 1 78 78 ASP H H 78 8.191 8.191 8.606 -0.415 25588 13452 1 17 . 1 1 79 79 THR N N 79 114.600 114.600 110.939 3.661 25588 13453 1 17 . 1 1 79 79 THR HA H 79 4.263 4.263 4.080 0.183 25588 13454 1 17 . 1 1 79 79 THR C C 79 171.900 171.900 175.937 -4.037 25588 13455 1 17 . 1 1 79 79 THR CA C 79 59.510 59.510 65.505 -5.995 25588 13456 1 17 . 1 1 79 79 THR CB C 79 67.090 67.090 68.765 -1.675 25588 13457 1 17 . 1 1 79 79 THR H H 79 8.063 8.063 8.419 -0.356 25588 13458 1 17 . 1 1 80 80 ASP N N 80 123.100 123.100 122.533 0.567 25588 13459 1 17 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.485 0.227 25588 13460 1 17 . 1 1 80 80 ASP C C 80 173.900 173.900 178.039 -4.139 25588 13461 1 17 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.808 -4.908 25588 13462 1 17 . 1 1 80 80 ASP CB C 80 38.670 38.670 40.023 -1.353 25588 13463 1 17 . 1 1 80 80 ASP H H 80 8.423 8.423 8.660 -0.237 25588 13464 1 17 . 1 1 81 81 SER N N 81 116.900 116.900 116.401 0.499 25588 13465 1 17 . 1 1 81 81 SER HA H 81 4.498 4.498 4.102 0.396 25588 13466 1 17 . 1 1 81 81 SER C C 81 172.700 172.700 175.784 -3.084 25588 13467 1 17 . 1 1 81 81 SER CA C 81 56.360 56.360 60.648 -4.288 25588 13468 1 17 . 1 1 81 81 SER CB C 81 61.310 61.310 63.044 -1.734 25588 13469 1 17 . 1 1 81 81 SER H H 81 8.357 8.357 7.607 0.750 25588 13470 1 17 . 1 1 82 82 GLU N N 82 122.800 122.800 122.761 0.039 25588 13471 1 17 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.847 0.281 25588 13472 1 17 . 1 1 82 82 GLU C C 82 175.300 175.300 178.904 -3.604 25588 13473 1 17 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.852 -3.583 25588 13474 1 17 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.491 -2.741 25588 13475 1 17 . 1 1 82 82 GLU H H 82 8.532 8.532 7.839 0.693 25588 13476 1 17 . 1 1 83 83 GLU N N 83 119.400 119.400 117.325 2.075 25588 13477 1 17 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.156 -0.122 25588 13478 1 17 . 1 1 83 83 GLU C C 83 176.000 176.000 178.916 -2.916 25588 13479 1 17 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.975 -1.905 25588 13480 1 17 . 1 1 83 83 GLU H H 83 8.365 8.365 7.686 0.679 25588 13481 1 17 . 1 1 84 84 GLU N N 84 118.700 118.700 119.427 -0.727 25588 13482 1 17 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.132 0.015 25588 13483 1 17 . 1 1 84 84 GLU C C 84 177.000 177.000 179.402 -2.402 25588 13484 1 17 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.651 -1.982 25588 13485 1 17 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.582 -2.782 25588 13486 1 17 . 1 1 84 84 GLU H H 84 8.073 8.073 7.665 0.408 25588 13487 1 17 . 1 1 85 85 ILE N N 85 122.200 122.200 118.821 3.379 25588 13488 1 17 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.777 0.217 25588 13489 1 17 . 1 1 85 85 ILE C C 85 175.300 175.300 177.466 -2.166 25588 13490 1 17 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.240 -2.110 25588 13491 1 17 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.545 -3.045 25588 13492 1 17 . 1 1 85 85 ILE H H 85 8.043 8.043 8.967 -0.924 25588 13493 1 17 . 1 1 86 86 ARG N N 86 121.700 121.700 119.795 1.905 25588 13494 1 17 . 1 1 86 86 ARG C C 86 176.700 176.700 178.701 -2.001 25588 13495 1 17 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.469 -2.109 25588 13496 1 17 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.377 -2.327 25588 13497 1 17 . 1 1 86 86 ARG H H 86 8.415 8.415 8.247 0.168 25588 13498 1 17 . 1 1 87 87 GLU N N 87 118.600 118.600 119.686 -1.086 25588 13499 1 17 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.133 -0.024 25588 13500 1 17 . 1 1 87 87 GLU C C 87 175.900 175.900 177.870 -1.970 25588 13501 1 17 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.944 -2.514 25588 13502 1 17 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.230 -2.680 25588 13503 1 17 . 1 1 87 87 GLU H H 87 8.056 8.056 7.820 0.236 25588 13504 1 17 . 1 1 88 88 ALA N N 88 122.000 122.000 121.003 0.997 25588 13505 1 17 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.157 0.061 25588 13506 1 17 . 1 1 88 88 ALA C C 88 176.600 176.600 179.238 -2.638 25588 13507 1 17 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.404 -1.954 25588 13508 1 17 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.001 -2.701 25588 13509 1 17 . 1 1 88 88 ALA H H 88 7.934 7.934 7.536 0.398 25588 13510 1 17 . 1 1 89 89 PHE N N 89 118.900 118.900 120.493 -1.593 25588 13511 1 17 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.232 -1.081 25588 13512 1 17 . 1 1 89 89 PHE C C 89 173.800 173.800 177.142 -3.342 25588 13513 1 17 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.504 -2.004 25588 13514 1 17 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.981 -2.611 25588 13515 1 17 . 1 1 89 89 PHE H H 89 8.537 8.537 7.866 0.671 25588 13516 1 17 . 1 1 90 90 ARG N N 90 115.600 115.600 119.159 -3.559 25588 13517 1 17 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.834 0.030 25588 13518 1 17 . 1 1 90 90 ARG C C 90 175.500 175.500 178.210 -2.710 25588 13519 1 17 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.134 -3.024 25588 13520 1 17 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.114 -2.464 25588 13521 1 17 . 1 1 90 90 ARG H H 90 7.656 7.656 7.640 0.016 25588 13522 1 17 . 1 1 91 91 VAL N N 91 118.300 118.300 118.633 -0.333 25588 13523 1 17 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.676 -0.189 25588 13524 1 17 . 1 1 91 91 VAL C C 91 174.700 174.700 177.935 -3.235 25588 13525 1 17 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.263 -3.253 25588 13526 1 17 . 1 1 91 91 VAL H H 91 7.496 7.496 7.362 0.134 25588 13527 1 17 . 1 1 92 92 PHE N N 92 116.300 116.300 118.434 -2.134 25588 13528 1 17 . 1 1 92 92 PHE C C 92 174.300 174.300 176.042 -1.742 25588 13529 1 17 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.391 -2.981 25588 13530 1 17 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.852 -2.232 25588 13531 1 17 . 1 1 92 92 PHE H H 92 7.460 7.460 8.244 -0.784 25588 13532 1 17 . 1 1 93 93 ASP N N 93 116.900 116.900 117.030 -0.130 25588 13533 1 17 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.713 -0.209 25588 13534 1 17 . 1 1 93 93 ASP C C 93 174.900 174.900 175.667 -0.767 25588 13535 1 17 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.665 -3.125 25588 13536 1 17 . 1 1 93 93 ASP H H 93 7.821 7.821 8.035 -0.214 25588 13537 1 17 . 1 1 94 94 LYS N N 94 125.900 125.900 124.265 1.635 25588 13538 1 17 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.083 -0.195 25588 13539 1 17 . 1 1 94 94 LYS C C 94 175.700 175.700 177.375 -1.675 25588 13540 1 17 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.614 -2.204 25588 13541 1 17 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.541 -2.371 25588 13542 1 17 . 1 1 94 94 LYS H H 94 7.689 7.689 8.480 -0.791 25588 13543 1 17 . 1 1 95 95 ASP N N 95 114.000 114.000 115.669 -1.669 25588 13544 1 17 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.378 0.176 25588 13545 1 17 . 1 1 95 95 ASP C C 95 175.100 175.100 177.972 -2.872 25588 13546 1 17 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.101 -4.781 25588 13547 1 17 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.785 -3.795 25588 13548 1 17 . 1 1 95 95 ASP H H 95 8.179 8.179 8.154 0.025 25588 13549 1 17 . 1 1 96 96 GLY N N 96 109.300 109.300 110.122 -0.822 25588 13550 1 17 . 1 1 96 96 GLY C C 96 172.500 172.500 175.442 -2.942 25588 13551 1 17 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.872 -2.372 25588 13552 1 17 . 1 1 96 96 GLY H H 96 7.765 7.765 8.060 -0.295 25588 13553 1 17 . 1 1 97 97 ASN N N 97 119.600 119.600 123.138 -3.538 25588 13554 1 17 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.456 0.188 25588 13555 1 17 . 1 1 97 97 ASN C C 97 173.400 173.400 175.179 -1.779 25588 13556 1 17 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.551 -4.481 25588 13557 1 17 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.862 -3.342 25588 13558 1 17 . 1 1 97 97 ASN H H 97 8.302 8.302 8.594 -0.292 25588 13559 1 17 . 1 1 98 98 GLY N N 98 113.000 113.000 105.542 7.458 25588 13560 1 17 . 1 1 98 98 GLY C C 98 169.800 169.800 172.286 -2.486 25588 13561 1 17 . 1 1 98 98 GLY CA C 98 42.510 42.510 43.817 -1.307 25588 13562 1 17 . 1 1 98 98 GLY H H 98 10.620 10.620 7.436 3.184 25588 13563 1 17 . 1 1 99 99 TYR N N 99 115.900 115.900 117.872 -1.972 25588 13564 1 17 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.698 0.338 25588 13565 1 17 . 1 1 99 99 TYR C C 99 171.900 171.900 175.838 -3.938 25588 13566 1 17 . 1 1 99 99 TYR CA C 99 53.390 53.390 57.197 -3.807 25588 13567 1 17 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.456 -0.926 25588 13568 1 17 . 1 1 99 99 TYR H H 99 7.597 7.597 8.009 -0.412 25588 13569 1 17 . 1 1 100 100 ILE N N 100 127.400 127.400 123.719 3.681 25588 13570 1 17 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.429 0.350 25588 13571 1 17 . 1 1 100 100 ILE C C 100 172.900 172.900 176.038 -3.138 25588 13572 1 17 . 1 1 100 100 ILE CA C 100 57.660 57.660 60.849 -3.189 25588 13573 1 17 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.798 -2.848 25588 13574 1 17 . 1 1 100 100 ILE H H 100 10.120 10.120 8.328 1.792 25588 13575 1 17 . 1 1 101 101 SER N N 101 123.800 123.800 123.040 0.760 25588 13576 1 17 . 1 1 101 101 SER C C 101 172.600 172.600 175.750 -3.150 25588 13577 1 17 . 1 1 101 101 SER CA C 101 53.180 53.180 56.846 -3.666 25588 13578 1 17 . 1 1 101 101 SER CB C 101 63.970 63.970 65.043 -1.073 25588 13579 1 17 . 1 1 101 101 SER H H 101 8.944 8.944 8.523 0.421 25588 13580 1 17 . 1 1 102 102 ALA N N 102 122.900 122.900 123.913 -1.013 25588 13581 1 17 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.019 -0.105 25588 13582 1 17 . 1 1 102 102 ALA C C 102 176.700 176.700 178.939 -2.239 25588 13583 1 17 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.409 -2.109 25588 13584 1 17 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.344 -2.894 25588 13585 1 17 . 1 1 102 102 ALA H H 102 9.178 9.178 9.008 0.170 25588 13586 1 17 . 1 1 103 103 ALA N N 103 118.400 118.400 120.558 -2.158 25588 13587 1 17 . 1 1 103 103 ALA C C 103 178.700 178.700 179.697 -0.997 25588 13588 1 17 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.086 -2.536 25588 13589 1 17 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.318 -2.438 25588 13590 1 17 . 1 1 103 103 ALA H H 103 8.205 8.205 8.343 -0.138 25588 13591 1 17 . 1 1 104 104 GLU N N 104 119.700 119.700 118.498 1.202 25588 13592 1 17 . 1 1 104 104 GLU C C 104 176.600 176.600 179.000 -2.400 25588 13593 1 17 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.856 -2.216 25588 13594 1 17 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.636 -2.996 25588 13595 1 17 . 1 1 104 104 GLU H H 104 7.835 7.835 7.644 0.191 25588 13596 1 17 . 1 1 105 105 LEU N N 105 121.000 121.000 121.236 -0.236 25588 13597 1 17 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.084 0.015 25588 13598 1 17 . 1 1 105 105 LEU C C 105 175.800 175.800 178.108 -2.308 25588 13599 1 17 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.655 -1.995 25588 13600 1 17 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.970 -7.410 25588 13601 1 17 . 1 1 105 105 LEU H H 105 8.571 8.571 8.294 0.277 25588 13602 1 17 . 1 1 106 106 ARG N N 106 117.500 117.500 118.905 -1.405 25588 13603 1 17 . 1 1 106 106 ARG C C 106 176.000 176.000 177.935 -1.935 25588 13604 1 17 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.503 -3.273 25588 13605 1 17 . 1 1 106 106 ARG H H 106 8.522 8.522 8.395 0.127 25588 13606 1 17 . 1 1 107 107 HIS N N 107 119.000 119.000 117.258 1.742 25588 13607 1 17 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.338 -0.052 25588 13608 1 17 . 1 1 107 107 HIS C C 107 174.900 174.900 177.506 -2.606 25588 13609 1 17 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.607 -2.517 25588 13610 1 17 . 1 1 107 107 HIS H H 107 7.889 7.889 7.911 -0.022 25588 13611 1 17 . 1 1 108 108 VAL N N 108 118.900 118.900 120.170 -1.270 25588 13612 1 17 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.701 -0.216 25588 13613 1 17 . 1 1 108 108 VAL C C 108 175.400 175.400 178.149 -2.749 25588 13614 1 17 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.740 -3.220 25588 13615 1 17 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.471 -2.272 25588 13616 1 17 . 1 1 108 108 VAL H H 108 7.958 7.958 7.536 0.422 25588 13617 1 17 . 1 1 109 109 MET N N 109 116.400 116.400 117.995 -1.595 25588 13618 1 17 . 1 1 109 109 MET HA H 109 4.331 4.331 4.231 0.100 25588 13619 1 17 . 1 1 109 109 MET C C 109 176.000 176.000 178.724 -2.724 25588 13620 1 17 . 1 1 109 109 MET CA C 109 54.910 54.910 57.874 -2.964 25588 13621 1 17 . 1 1 109 109 MET CB C 109 28.750 28.750 31.379 -2.629 25588 13622 1 17 . 1 1 109 109 MET H H 109 8.247 8.247 8.456 -0.209 25588 13623 1 17 . 1 1 110 110 THR N N 110 114.900 114.900 115.243 -0.343 25588 13624 1 17 . 1 1 110 110 THR HA H 110 4.152 4.152 4.065 0.087 25588 13625 1 17 . 1 1 110 110 THR C C 110 175.000 175.000 175.752 -0.752 25588 13626 1 17 . 1 1 110 110 THR CA C 110 63.270 63.270 66.125 -2.855 25588 13627 1 17 . 1 1 110 110 THR CB C 110 66.230 66.230 68.223 -1.993 25588 13628 1 17 . 1 1 110 110 THR H H 110 8.125 8.125 8.014 0.111 25588 13629 1 17 . 1 1 111 111 ASN N N 111 122.200 122.200 118.217 3.983 25588 13630 1 17 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.450 -0.013 25588 13631 1 17 . 1 1 111 111 ASN C C 111 173.700 173.700 177.529 -3.829 25588 13632 1 17 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.441 -2.371 25588 13633 1 17 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.870 -3.050 25588 13634 1 17 . 1 1 111 111 ASN H H 111 7.867 7.867 7.659 0.208 25588 13635 1 17 . 1 1 112 112 LEU N N 112 119.100 119.100 119.838 -0.738 25588 13636 1 17 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.099 0.234 25588 13637 1 17 . 1 1 112 112 LEU C C 112 174.700 174.700 176.715 -2.015 25588 13638 1 17 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.492 -3.732 25588 13639 1 17 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.789 -3.339 25588 13640 1 17 . 1 1 112 112 LEU H H 112 7.850 7.850 7.407 0.443 25588 13641 1 17 . 1 1 113 113 GLY N N 113 106.800 106.800 104.278 2.522 25588 13642 1 17 . 1 1 113 113 GLY C C 113 171.700 171.700 172.179 -0.479 25588 13643 1 17 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.156 -2.366 25588 13644 1 17 . 1 1 113 113 GLY H H 113 7.830 7.830 7.467 0.363 25588 13645 1 17 . 1 1 114 114 GLU N N 114 120.600 120.600 119.483 1.117 25588 13646 1 17 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.652 -0.252 25588 13647 1 17 . 1 1 114 114 GLU C C 114 172.800 172.800 177.182 -4.382 25588 13648 1 17 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.120 -3.450 25588 13649 1 17 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.522 -2.562 25588 13650 1 17 . 1 1 114 114 GLU H H 114 7.914 7.914 8.663 -0.749 25588 13651 1 17 . 1 1 115 115 LYS N N 115 124.000 124.000 120.094 3.906 25588 13652 1 17 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.097 0.260 25588 13653 1 17 . 1 1 115 115 LYS C C 115 173.000 173.000 176.257 -3.257 25588 13654 1 17 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.550 -5.530 25588 13655 1 17 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.712 -3.302 25588 13656 1 17 . 1 1 115 115 LYS H H 115 8.505 8.505 8.471 0.034 25588 13657 1 17 . 1 1 116 116 LEU N N 116 125.000 125.000 116.195 8.805 25588 13658 1 17 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.552 0.207 25588 13659 1 17 . 1 1 116 116 LEU C C 116 175.300 175.300 176.593 -1.293 25588 13660 1 17 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.658 -1.238 25588 13661 1 17 . 1 1 116 116 LEU CB C 116 42.110 42.110 44.213 -2.103 25588 13662 1 17 . 1 1 116 116 LEU H H 116 8.076 8.076 7.550 0.526 25588 13663 1 17 . 1 1 117 117 THR N N 117 114.500 114.500 110.650 3.850 25588 13664 1 17 . 1 1 117 117 THR HA H 117 4.453 4.453 4.223 0.230 25588 13665 1 17 . 1 1 117 117 THR C C 117 172.800 172.800 174.484 -1.684 25588 13666 1 17 . 1 1 117 117 THR CA C 117 57.970 57.970 62.095 -4.125 25588 13667 1 17 . 1 1 117 117 THR CB C 117 68.610 68.610 69.852 -1.242 25588 13668 1 17 . 1 1 117 117 THR H H 117 9.116 9.116 8.359 0.757 25588 13669 1 17 . 1 1 118 118 ASP N N 118 121.000 121.000 119.285 1.715 25588 13670 1 17 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.633 -0.437 25588 13671 1 17 . 1 1 118 118 ASP C C 118 175.900 175.900 177.598 -1.698 25588 13672 1 17 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.292 -0.932 25588 13673 1 17 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.953 -3.843 25588 13674 1 17 . 1 1 118 118 ASP H H 118 8.847 8.847 8.658 0.189 25588 13675 1 17 . 1 1 119 119 GLU N N 119 119.100 119.100 119.343 -0.243 25588 13676 1 17 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.450 -0.380 25588 13677 1 17 . 1 1 119 119 GLU C C 119 176.500 176.500 177.541 -1.041 25588 13678 1 17 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.660 -1.380 25588 13679 1 17 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.620 -3.190 25588 13680 1 17 . 1 1 119 119 GLU H H 119 8.626 8.626 8.451 0.175 25588 13681 1 17 . 1 1 120 120 GLU N N 120 120.500 120.500 118.630 1.870 25588 13682 1 17 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.063 -0.073 25588 13683 1 17 . 1 1 120 120 GLU C C 120 177.400 177.400 178.671 -1.271 25588 13684 1 17 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.393 -2.803 25588 13685 1 17 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.103 -0.313 25588 13686 1 17 . 1 1 120 120 GLU H H 120 7.724 7.724 8.854 -1.130 25588 13687 1 17 . 1 1 121 121 VAL N N 121 121.100 121.100 115.185 5.915 25588 13688 1 17 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.772 -0.185 25588 13689 1 17 . 1 1 121 121 VAL C C 121 174.600 174.600 177.799 -3.199 25588 13690 1 17 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.513 -1.203 25588 13691 1 17 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.210 -2.830 25588 13692 1 17 . 1 1 121 121 VAL H H 121 8.062 8.062 8.044 0.018 25588 13693 1 17 . 1 1 122 122 ASP N N 122 119.600 119.600 121.379 -1.779 25588 13694 1 17 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.373 -0.064 25588 13695 1 17 . 1 1 122 122 ASP C C 122 176.500 176.500 178.186 -1.686 25588 13696 1 17 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.308 -2.308 25588 13697 1 17 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.269 -2.369 25588 13698 1 17 . 1 1 122 122 ASP H H 122 8.007 8.007 7.730 0.277 25588 13699 1 17 . 1 1 123 123 GLU N N 123 119.300 119.300 117.856 1.444 25588 13700 1 17 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.272 -0.274 25588 13701 1 17 . 1 1 123 123 GLU C C 123 175.400 175.400 178.339 -2.939 25588 13702 1 17 . 1 1 123 123 GLU CA C 123 56.660 56.660 57.943 -1.283 25588 13703 1 17 . 1 1 123 123 GLU CB C 123 26.790 26.790 30.388 -3.598 25588 13704 1 17 . 1 1 123 123 GLU H H 123 7.967 7.967 8.360 -0.393 25588 13705 1 17 . 1 1 124 124 MET N N 124 119.600 119.600 120.943 -1.343 25588 13706 1 17 . 1 1 124 124 MET HA H 124 4.033 4.033 4.274 -0.241 25588 13707 1 17 . 1 1 124 124 MET C C 124 176.500 176.500 178.469 -1.969 25588 13708 1 17 . 1 1 124 124 MET CA C 124 56.970 56.970 58.212 -1.242 25588 13709 1 17 . 1 1 124 124 MET CB C 124 30.470 30.470 32.466 -1.996 25588 13710 1 17 . 1 1 124 124 MET H H 124 7.789 7.789 8.514 -0.725 25588 13711 1 17 . 1 1 125 125 ILE N N 125 118.500 118.500 116.657 1.843 25588 13712 1 17 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.769 -0.270 25588 13713 1 17 . 1 1 125 125 ILE C C 125 174.600 174.600 177.437 -2.837 25588 13714 1 17 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.766 -2.576 25588 13715 1 17 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.499 -3.989 25588 13716 1 17 . 1 1 125 125 ILE H H 125 7.940 7.940 7.746 0.194 25588 13717 1 17 . 1 1 126 126 ARG N N 126 118.300 118.300 119.722 -1.422 25588 13718 1 17 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.047 -0.039 25588 13719 1 17 . 1 1 126 126 ARG C C 126 176.800 176.800 178.282 -1.482 25588 13720 1 17 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.395 -2.295 25588 13721 1 17 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.335 -2.765 25588 13722 1 17 . 1 1 126 126 ARG H H 126 8.168 8.168 7.238 0.930 25588 13723 1 17 . 1 1 127 127 GLU N N 127 116.300 116.300 119.487 -3.187 25588 13724 1 17 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.202 -0.219 25588 13725 1 17 . 1 1 127 127 GLU C C 127 174.700 174.700 177.493 -2.793 25588 13726 1 17 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.271 -2.391 25588 13727 1 17 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.597 -2.657 25588 13728 1 17 . 1 1 127 127 GLU H H 127 7.918 7.918 7.975 -0.057 25588 13729 1 17 . 1 1 128 128 ALA N N 128 119.100 119.100 119.973 -0.873 25588 13730 1 17 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.032 0.386 25588 13731 1 17 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.675 -4.165 25588 13732 1 17 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.838 -0.098 25588 13733 1 17 . 1 1 128 128 ALA H H 128 7.354 7.354 7.634 -0.280 25588 13734 1 17 . 1 1 129 129 ASP N N 129 117.400 117.400 117.635 -0.235 25588 13735 1 17 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.660 -0.158 25588 13736 1 17 . 1 1 129 129 ASP C C 129 173.400 173.400 176.987 -3.587 25588 13737 1 17 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.081 -1.671 25588 13738 1 17 . 1 1 129 129 ASP CB C 129 37.700 37.700 41.912 -4.212 25588 13739 1 17 . 1 1 129 129 ASP H H 129 7.871 7.871 7.671 0.200 25588 13740 1 17 . 1 1 130 130 ILE N N 130 128.000 128.000 121.364 6.636 25588 13741 1 17 . 1 1 130 130 ILE HA H 130 3.917 3.917 3.953 -0.036 25588 13742 1 17 . 1 1 130 130 ILE C C 130 175.300 175.300 176.429 -1.129 25588 13743 1 17 . 1 1 130 130 ILE CA C 130 60.710 60.710 62.427 -1.717 25588 13744 1 17 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.462 -1.652 25588 13745 1 17 . 1 1 130 130 ILE H H 130 8.384 8.384 8.487 -0.103 25588 13746 1 17 . 1 1 131 131 ASP N N 131 116.800 116.800 121.893 -5.093 25588 13747 1 17 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.518 0.032 25588 13748 1 17 . 1 1 131 131 ASP C C 131 175.600 175.600 177.561 -1.961 25588 13749 1 17 . 1 1 131 131 ASP CA C 131 51.220 51.220 55.853 -4.633 25588 13750 1 17 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.144 -3.914 25588 13751 1 17 . 1 1 131 131 ASP H H 131 8.281 8.281 7.845 0.436 25588 13752 1 17 . 1 1 132 132 GLY N N 132 108.500 108.500 106.699 1.801 25588 13753 1 17 . 1 1 132 132 GLY C C 132 172.600 172.600 174.872 -2.272 25588 13754 1 17 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.095 -1.245 25588 13755 1 17 . 1 1 132 132 GLY H H 132 7.575 7.575 8.856 -1.281 25588 13756 1 17 . 1 1 133 133 ASP N N 133 120.800 120.800 119.243 1.557 25588 13757 1 17 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.586 -0.122 25588 13758 1 17 . 1 1 133 133 ASP C C 133 174.900 174.900 177.151 -2.251 25588 13759 1 17 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.077 -2.087 25588 13760 1 17 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.661 -3.071 25588 13761 1 17 . 1 1 133 133 ASP H H 133 8.326 8.326 8.007 0.319 25588 13762 1 17 . 1 1 134 134 GLY N N 134 112.900 112.900 109.095 3.805 25588 13763 1 17 . 1 1 134 134 GLY C C 134 170.200 170.200 172.844 -2.644 25588 13764 1 17 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.437 -2.386 25588 13765 1 17 . 1 1 134 134 GLY H H 134 10.310 10.310 7.748 2.562 25588 13766 1 17 . 1 1 135 135 GLN N N 135 115.400 115.400 120.843 -5.443 25588 13767 1 17 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.753 0.107 25588 13768 1 17 . 1 1 135 135 GLN C C 135 172.100 172.100 173.623 -1.523 25588 13769 1 17 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.414 -3.884 25588 13770 1 17 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.941 -2.921 25588 13771 1 17 . 1 1 135 135 GLN H H 135 7.937 7.937 8.107 -0.170 25588 13772 1 17 . 1 1 136 136 VAL N N 136 125.500 125.500 121.875 3.625 25588 13773 1 17 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.604 0.586 25588 13774 1 17 . 1 1 136 136 VAL C C 136 173.200 173.200 174.597 -1.397 25588 13775 1 17 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.748 -1.648 25588 13776 1 17 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.746 -3.826 25588 13777 1 17 . 1 1 136 136 VAL H H 136 9.112 9.112 8.595 0.517 25588 13778 1 17 . 1 1 137 137 ASN N N 137 129.000 129.000 122.971 6.029 25588 13779 1 17 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.279 -0.047 25588 13780 1 17 . 1 1 137 137 ASN C C 137 172.200 172.200 174.834 -2.634 25588 13781 1 17 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.908 -3.448 25588 13782 1 17 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.779 -6.089 25588 13783 1 17 . 1 1 137 137 ASN H H 137 9.509 9.509 7.876 1.633 25588 13784 1 17 . 1 1 138 138 TYR N N 138 118.400 118.400 122.866 -4.466 25588 13785 1 17 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.405 -0.981 25588 13786 1 17 . 1 1 138 138 TYR C C 138 173.500 173.500 177.224 -3.724 25588 13787 1 17 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.584 -2.554 25588 13788 1 17 . 1 1 138 138 TYR H H 138 8.420 8.420 9.232 -0.812 25588 13789 1 17 . 1 1 139 139 GLU N N 139 118.400 118.400 118.177 0.223 25588 13790 1 17 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.747 -0.105 25588 13791 1 17 . 1 1 139 139 GLU C C 139 177.900 177.900 178.992 -1.092 25588 13792 1 17 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.138 -2.398 25588 13793 1 17 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.620 -2.230 25588 13794 1 17 . 1 1 139 139 GLU H H 139 8.066 8.066 8.969 -0.903 25588 13795 1 17 . 1 1 140 140 GLU N N 140 119.900 119.900 119.099 0.801 25588 13796 1 17 . 1 1 140 140 GLU C C 140 176.700 176.700 178.702 -2.002 25588 13797 1 17 . 1 1 140 140 GLU CA C 140 55.900 55.900 59.068 -3.168 25588 13798 1 17 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.132 -1.932 25588 13799 1 17 . 1 1 140 140 GLU H H 140 8.728 8.728 8.312 0.416 25588 13800 1 17 . 1 1 141 141 PHE N N 141 124.600 124.600 119.710 4.890 25588 13801 1 17 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.124 -0.140 25588 13802 1 17 . 1 1 141 141 PHE C C 141 174.200 174.200 177.689 -3.489 25588 13803 1 17 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.058 -3.098 25588 13804 1 17 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.509 -1.239 25588 13805 1 17 . 1 1 141 141 PHE H H 141 8.920 8.920 7.753 1.167 25588 13806 1 17 . 1 1 142 142 VAL N N 142 119.300 119.300 117.685 1.615 25588 13807 1 17 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.524 -0.403 25588 13808 1 17 . 1 1 142 142 VAL C C 142 176.900 176.900 177.235 -0.335 25588 13809 1 17 . 1 1 142 142 VAL CA C 142 64.430 64.430 65.961 -1.531 25588 13810 1 17 . 1 1 142 142 VAL H H 142 8.536 8.536 7.378 1.158 25588 13811 1 17 . 1 1 143 143 GLN N N 143 118.200 118.200 116.480 1.720 25588 13812 1 17 . 1 1 143 143 GLN HA H 143 3.851 3.851 3.999 -0.148 25588 13813 1 17 . 1 1 143 143 GLN C C 143 175.300 175.300 177.553 -2.253 25588 13814 1 17 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.473 -1.213 25588 13815 1 17 . 1 1 143 143 GLN H H 143 7.404 7.404 7.242 0.162 25588 13816 1 17 . 1 1 144 144 MET N N 144 119.400 119.400 117.492 1.908 25588 13817 1 17 . 1 1 144 144 MET HA H 144 4.107 4.107 4.109 -0.002 25588 13818 1 17 . 1 1 144 144 MET C C 144 175.400 175.400 176.680 -1.280 25588 13819 1 17 . 1 1 144 144 MET CA C 144 55.500 55.500 58.037 -2.537 25588 13820 1 17 . 1 1 144 144 MET CB C 144 30.460 30.460 33.363 -2.903 25588 13821 1 17 . 1 1 144 144 MET H H 144 7.878 7.878 7.769 0.109 25588 13822 1 17 . 1 1 145 145 MET N N 145 115.000 115.000 116.921 -1.921 25588 13823 1 17 . 1 1 145 145 MET HA H 145 4.281 4.281 4.583 -0.302 25588 13824 1 17 . 1 1 145 145 MET C C 145 174.900 174.900 174.569 0.331 25588 13825 1 17 . 1 1 145 145 MET CA C 145 52.740 52.740 55.655 -2.915 25588 13826 1 17 . 1 1 145 145 MET H H 145 7.852 7.852 7.522 0.330 25588 13827 1 17 . 1 1 146 146 THR N N 146 111.100 111.100 115.947 -4.847 25588 13828 1 17 . 1 1 146 146 THR HA H 146 4.306 4.306 4.474 -0.168 25588 13829 1 17 . 1 1 146 146 THR C C 146 171.600 171.600 173.863 -2.263 25588 13830 1 17 . 1 1 146 146 THR CA C 146 59.830 59.830 61.973 -2.143 25588 13831 1 17 . 1 1 146 146 THR CB C 146 67.510 67.510 68.773 -1.263 25588 13832 1 17 . 1 1 146 146 THR H H 146 7.571 7.571 8.217 -0.646 25588 13833 1 17 . 1 1 147 147 ALA N N 147 126.300 126.300 125.808 0.492 25588 13834 1 17 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.090 0.210 25588 13835 1 17 . 1 1 147 147 ALA C C 147 174.000 174.000 177.006 -3.006 25588 13836 1 17 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.117 -3.927 25588 13837 1 17 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.466 -2.986 25588 13838 1 17 . 1 1 147 147 ALA H H 147 7.723 7.723 7.885 -0.162 25588 13839 1 18 . 1 1 2 2 ASP N N 2 118.400 118.400 121.041 -2.641 25588 13840 1 18 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.725 -0.111 25588 13841 1 18 . 1 1 2 2 ASP C C 2 173.000 173.000 176.210 -3.210 25588 13842 1 18 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.042 -2.022 25588 13843 1 18 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.443 -2.623 25588 13844 1 18 . 1 1 2 2 ASP H H 2 8.311 8.311 8.309 0.002 25588 13845 1 18 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.175 0.179 25588 13846 1 18 . 1 1 3 3 GLN C C 3 173.000 173.000 175.490 -2.490 25588 13847 1 18 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.525 -3.615 25588 13848 1 18 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.540 -2.390 25588 13849 1 18 . 1 1 3 3 GLN H H 3 8.321 8.321 8.678 -0.357 25588 13850 1 18 . 1 1 4 4 LEU N N 4 123.200 123.200 120.662 2.538 25588 13851 1 18 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.673 -0.023 25588 13852 1 18 . 1 1 4 4 LEU C C 4 175.100 175.100 175.198 -0.098 25588 13853 1 18 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.353 -2.563 25588 13854 1 18 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.600 -2.740 25588 13855 1 18 . 1 1 4 4 LEU H H 4 8.268 8.268 8.540 -0.272 25588 13856 1 18 . 1 1 5 5 THR N N 5 113.000 113.000 115.393 -2.393 25588 13857 1 18 . 1 1 5 5 THR HA H 5 4.754 4.754 4.569 0.185 25588 13858 1 18 . 1 1 5 5 THR C C 5 172.800 172.800 174.811 -2.011 25588 13859 1 18 . 1 1 5 5 THR CA C 5 57.880 57.880 60.136 -2.256 25588 13860 1 18 . 1 1 5 5 THR CB C 5 68.480 68.480 71.723 -3.243 25588 13861 1 18 . 1 1 5 5 THR H H 5 8.682 8.682 8.084 0.598 25588 13862 1 18 . 1 1 6 6 GLU N N 6 120.500 120.500 122.470 -1.970 25588 13863 1 18 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.001 -0.038 25588 13864 1 18 . 1 1 6 6 GLU C C 6 176.800 176.800 177.869 -1.069 25588 13865 1 18 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.221 -1.791 25588 13866 1 18 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.429 -2.909 25588 13867 1 18 . 1 1 6 6 GLU H H 6 8.990 8.990 9.009 -0.019 25588 13868 1 18 . 1 1 7 7 GLU N N 7 119.600 119.600 118.920 0.680 25588 13869 1 18 . 1 1 7 7 GLU HA H 7 4.069 4.069 3.990 0.079 25588 13870 1 18 . 1 1 7 7 GLU C C 7 176.500 176.500 179.032 -2.532 25588 13871 1 18 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.602 -2.222 25588 13872 1 18 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.256 -2.826 25588 13873 1 18 . 1 1 7 7 GLU H H 7 8.668 8.668 8.712 -0.044 25588 13874 1 18 . 1 1 8 8 GLN N N 8 120.100 120.100 118.093 2.007 25588 13875 1 18 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.152 -0.283 25588 13876 1 18 . 1 1 8 8 GLN C C 8 175.700 175.700 178.847 -3.147 25588 13877 1 18 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.584 -2.634 25588 13878 1 18 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.758 -1.948 25588 13879 1 18 . 1 1 8 8 GLN H H 8 7.721 7.721 7.648 0.073 25588 13880 1 18 . 1 1 9 9 ILE N N 9 119.600 119.600 119.907 -0.307 25588 13881 1 18 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.670 0.042 25588 13882 1 18 . 1 1 9 9 ILE C C 9 175.100 175.100 177.985 -2.885 25588 13883 1 18 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.559 -1.029 25588 13884 1 18 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.828 -2.748 25588 13885 1 18 . 1 1 9 9 ILE H H 9 8.373 8.373 7.400 0.973 25588 13886 1 18 . 1 1 10 10 ALA N N 10 121.300 121.300 122.771 -1.471 25588 13887 1 18 . 1 1 10 10 ALA C C 10 178.400 178.400 179.307 -0.907 25588 13888 1 18 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.530 -2.740 25588 13889 1 18 . 1 1 10 10 ALA CB C 10 15.360 15.360 18.018 -2.658 25588 13890 1 18 . 1 1 10 10 ALA H H 10 7.984 7.984 8.602 -0.618 25588 13891 1 18 . 1 1 11 11 GLU N N 11 119.500 119.500 118.995 0.505 25588 13892 1 18 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.912 0.235 25588 13893 1 18 . 1 1 11 11 GLU C C 11 177.900 177.900 179.214 -1.314 25588 13894 1 18 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.341 -2.671 25588 13895 1 18 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.404 -2.904 25588 13896 1 18 . 1 1 11 11 GLU H H 11 7.779 7.779 7.995 -0.216 25588 13897 1 18 . 1 1 12 12 PHE N N 12 120.200 120.200 117.457 2.743 25588 13898 1 18 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.366 0.654 25588 13899 1 18 . 1 1 12 12 PHE C C 12 176.100 176.100 178.032 -1.932 25588 13900 1 18 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.135 -4.525 25588 13901 1 18 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.743 -3.463 25588 13902 1 18 . 1 1 12 12 PHE H H 12 8.562 8.562 8.175 0.387 25588 13903 1 18 . 1 1 13 13 LYS N N 13 123.500 123.500 120.085 3.415 25588 13904 1 18 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.188 -0.199 25588 13905 1 18 . 1 1 13 13 LYS C C 13 176.700 176.700 179.715 -3.015 25588 13906 1 18 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.523 -2.003 25588 13907 1 18 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.249 -2.939 25588 13908 1 18 . 1 1 13 13 LYS H H 13 9.161 9.161 7.799 1.362 25588 13909 1 18 . 1 1 14 14 GLU N N 14 120.400 120.400 119.102 1.298 25588 13910 1 18 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.202 -0.077 25588 13911 1 18 . 1 1 14 14 GLU C C 14 176.800 176.800 178.903 -2.103 25588 13912 1 18 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.856 -2.126 25588 13913 1 18 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.377 -2.777 25588 13914 1 18 . 1 1 14 14 GLU H H 14 7.786 7.786 8.586 -0.800 25588 13915 1 18 . 1 1 15 15 ALA N N 15 122.600 122.600 121.642 0.958 25588 13916 1 18 . 1 1 15 15 ALA HA H 15 4.283 4.283 4.045 0.238 25588 13917 1 18 . 1 1 15 15 ALA C C 15 176.400 176.400 179.006 -2.606 25588 13918 1 18 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.473 -1.883 25588 13919 1 18 . 1 1 15 15 ALA CB C 15 15.540 15.540 17.962 -2.421 25588 13920 1 18 . 1 1 15 15 ALA H H 15 7.981 7.981 8.039 -0.058 25588 13921 1 18 . 1 1 16 16 PHE N N 16 119.400 119.400 119.386 0.014 25588 13922 1 18 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.379 -1.173 25588 13923 1 18 . 1 1 16 16 PHE C C 16 174.600 174.600 177.254 -2.654 25588 13924 1 18 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.608 -2.248 25588 13925 1 18 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.235 -2.195 25588 13926 1 18 . 1 1 16 16 PHE H H 16 8.796 8.796 7.814 0.982 25588 13927 1 18 . 1 1 17 17 SER N N 17 112.600 112.600 114.185 -1.585 25588 13928 1 18 . 1 1 17 17 SER HA H 17 4.028 4.028 4.525 -0.497 25588 13929 1 18 . 1 1 17 17 SER C C 17 172.400 172.400 176.329 -3.929 25588 13930 1 18 . 1 1 17 17 SER CA C 17 58.820 58.820 60.959 -2.139 25588 13931 1 18 . 1 1 17 17 SER CB C 17 60.680 60.680 62.817 -2.137 25588 13932 1 18 . 1 1 17 17 SER H H 17 7.898 7.898 8.070 -0.172 25588 13933 1 18 . 1 1 18 18 LEU N N 18 121.000 121.000 123.776 -2.776 25588 13934 1 18 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.999 -0.004 25588 13935 1 18 . 1 1 18 18 LEU C C 18 175.300 175.300 177.928 -2.628 25588 13936 1 18 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.624 -3.134 25588 13937 1 18 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.548 -2.678 25588 13938 1 18 . 1 1 18 18 LEU H H 18 7.426 7.426 7.172 0.254 25588 13939 1 18 . 1 1 19 19 PHE N N 19 115.200 115.200 115.819 -0.619 25588 13940 1 18 . 1 1 19 19 PHE C C 19 174.100 174.100 178.169 -4.069 25588 13941 1 18 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.748 -5.108 25588 13942 1 18 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.331 -0.081 25588 13943 1 18 . 1 1 19 19 PHE H H 19 7.309 7.309 7.742 -0.433 25588 13944 1 18 . 1 1 20 20 ASP N N 20 117.700 117.700 118.306 -0.606 25588 13945 1 18 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.656 -0.116 25588 13946 1 18 . 1 1 20 20 ASP C C 20 174.500 174.500 178.053 -3.553 25588 13947 1 18 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.427 -4.707 25588 13948 1 18 . 1 1 20 20 ASP CB C 20 36.200 36.200 41.212 -5.012 25588 13949 1 18 . 1 1 20 20 ASP H H 20 7.814 7.814 7.882 -0.068 25588 13950 1 18 . 1 1 21 21 LYS N N 21 124.400 124.400 119.368 5.032 25588 13951 1 18 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.923 0.031 25588 13952 1 18 . 1 1 21 21 LYS C C 21 175.500 175.500 177.528 -2.028 25588 13953 1 18 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.156 -3.266 25588 13954 1 18 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.333 -2.273 25588 13955 1 18 . 1 1 21 21 LYS H H 21 7.652 7.652 7.912 -0.260 25588 13956 1 18 . 1 1 22 22 ASP N N 22 113.900 113.900 116.678 -2.778 25588 13957 1 18 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.392 0.193 25588 13958 1 18 . 1 1 22 22 ASP C C 22 175.000 175.000 176.984 -1.984 25588 13959 1 18 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.556 -5.426 25588 13960 1 18 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.956 -4.046 25588 13961 1 18 . 1 1 22 22 ASP H H 22 8.056 8.056 7.924 0.132 25588 13962 1 18 . 1 1 23 23 GLY N N 23 109.200 109.200 108.974 0.226 25588 13963 1 18 . 1 1 23 23 GLY C C 23 172.300 172.300 173.762 -1.462 25588 13964 1 18 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.409 0.181 25588 13965 1 18 . 1 1 23 23 GLY H H 23 7.660 7.660 7.688 -0.028 25588 13966 1 18 . 1 1 24 24 ASP N N 24 118.600 118.600 118.787 -0.187 25588 13967 1 18 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.522 0.095 25588 13968 1 18 . 1 1 24 24 ASP C C 24 174.200 174.200 176.222 -2.022 25588 13969 1 18 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.672 -5.702 25588 13970 1 18 . 1 1 24 24 ASP CB C 24 35.090 35.090 40.903 -5.813 25588 13971 1 18 . 1 1 24 24 ASP H H 24 8.052 8.052 8.438 -0.386 25588 13972 1 18 . 1 1 25 25 GLY N N 25 113.400 113.400 108.768 4.632 25588 13973 1 18 . 1 1 25 25 GLY C C 25 170.600 170.600 173.056 -2.456 25588 13974 1 18 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.260 -2.100 25588 13975 1 18 . 1 1 25 25 GLY H H 25 10.570 10.570 7.883 2.687 25588 13976 1 18 . 1 1 26 26 THR N N 26 109.100 109.100 116.630 -7.530 25588 13977 1 18 . 1 1 26 26 THR HA H 26 5.271 5.271 4.443 0.828 25588 13978 1 18 . 1 1 26 26 THR C C 26 170.200 170.200 172.602 -2.402 25588 13979 1 18 . 1 1 26 26 THR CA C 26 57.170 57.170 62.117 -4.947 25588 13980 1 18 . 1 1 26 26 THR CB C 26 69.920 69.920 72.628 -2.708 25588 13981 1 18 . 1 1 26 26 THR H H 26 7.661 7.661 8.106 -0.445 25588 13982 1 18 . 1 1 27 27 ILE N N 27 127.100 127.100 124.771 2.329 25588 13983 1 18 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.624 0.347 25588 13984 1 18 . 1 1 27 27 ILE C C 27 173.400 173.400 175.295 -1.895 25588 13985 1 18 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.004 -2.184 25588 13986 1 18 . 1 1 27 27 ILE CB C 27 36.720 36.720 38.072 -1.352 25588 13987 1 18 . 1 1 27 27 ILE H H 27 9.766 9.766 8.168 1.598 25588 13988 1 18 . 1 1 28 28 THR N N 28 116.500 116.500 114.446 2.054 25588 13989 1 18 . 1 1 28 28 THR HA H 28 4.802 4.802 4.633 0.169 25588 13990 1 18 . 1 1 28 28 THR C C 28 173.900 173.900 176.310 -2.410 25588 13991 1 18 . 1 1 28 28 THR CA C 28 56.980 56.980 60.404 -3.424 25588 13992 1 18 . 1 1 28 28 THR CB C 28 69.730 69.730 71.250 -1.520 25588 13993 1 18 . 1 1 28 28 THR H H 28 8.458 8.458 7.988 0.470 25588 13994 1 18 . 1 1 29 29 THR N N 29 112.900 112.900 114.263 -1.363 25588 13995 1 18 . 1 1 29 29 THR HA H 29 4.169 4.169 4.045 0.124 25588 13996 1 18 . 1 1 29 29 THR C C 29 174.500 174.500 176.590 -2.090 25588 13997 1 18 . 1 1 29 29 THR CA C 29 63.940 63.940 66.107 -2.167 25588 13998 1 18 . 1 1 29 29 THR CB C 29 65.170 65.170 68.718 -3.548 25588 13999 1 18 . 1 1 29 29 THR H H 29 9.066 9.066 8.569 0.497 25588 14000 1 18 . 1 1 30 30 LYS N N 30 120.800 120.800 121.309 -0.509 25588 14001 1 18 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.955 0.156 25588 14002 1 18 . 1 1 30 30 LYS C C 30 177.200 177.200 178.859 -1.659 25588 14003 1 18 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.731 -3.201 25588 14004 1 18 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.052 -2.092 25588 14005 1 18 . 1 1 30 30 LYS H H 30 7.664 7.664 7.734 -0.070 25588 14006 1 18 . 1 1 31 31 GLU N N 31 121.400 121.400 118.996 2.404 25588 14007 1 18 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.979 0.086 25588 14008 1 18 . 1 1 31 31 GLU C C 31 176.500 176.500 179.002 -2.502 25588 14009 1 18 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.895 -2.315 25588 14010 1 18 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.599 -2.439 25588 14011 1 18 . 1 1 31 31 GLU H H 31 7.635 7.635 7.452 0.183 25588 14012 1 18 . 1 1 32 32 LEU N N 32 120.600 120.600 121.160 -0.560 25588 14013 1 18 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.176 -0.094 25588 14014 1 18 . 1 1 32 32 LEU C C 32 176.300 176.300 178.322 -2.022 25588 14015 1 18 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.349 -1.939 25588 14016 1 18 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.852 -1.882 25588 14017 1 18 . 1 1 32 32 LEU H H 32 8.699 8.699 7.401 1.298 25588 14018 1 18 . 1 1 33 33 GLY N N 33 105.600 105.600 104.241 1.359 25588 14019 1 18 . 1 1 33 33 GLY C C 33 172.500 172.500 176.373 -3.873 25588 14020 1 18 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.613 -1.893 25588 14021 1 18 . 1 1 33 33 GLY H H 33 8.616 8.616 8.501 0.115 25588 14022 1 18 . 1 1 34 34 THR N N 34 118.000 118.000 118.847 -0.847 25588 14023 1 18 . 1 1 34 34 THR HA H 34 3.913 3.913 3.967 -0.054 25588 14024 1 18 . 1 1 34 34 THR C C 34 174.500 174.500 176.254 -1.754 25588 14025 1 18 . 1 1 34 34 THR CA C 34 64.250 64.250 66.507 -2.257 25588 14026 1 18 . 1 1 34 34 THR CB C 34 66.100 66.100 68.459 -2.359 25588 14027 1 18 . 1 1 34 34 THR H H 34 7.867 7.867 7.271 0.596 25588 14028 1 18 . 1 1 35 35 VAL N N 35 122.100 122.100 121.364 0.736 25588 14029 1 18 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.622 -0.164 25588 14030 1 18 . 1 1 35 35 VAL C C 35 176.500 176.500 177.133 -0.633 25588 14031 1 18 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.397 -1.767 25588 14032 1 18 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.822 -2.702 25588 14033 1 18 . 1 1 35 35 VAL H H 35 7.613 7.613 7.340 0.273 25588 14034 1 18 . 1 1 36 36 MET N N 36 118.400 118.400 117.735 0.665 25588 14035 1 18 . 1 1 36 36 MET HA H 36 4.095 4.095 4.004 0.091 25588 14036 1 18 . 1 1 36 36 MET C C 36 176.500 176.500 178.258 -1.758 25588 14037 1 18 . 1 1 36 36 MET CA C 36 56.420 56.420 57.912 -1.492 25588 14038 1 18 . 1 1 36 36 MET H H 36 8.440 8.440 7.396 1.044 25588 14039 1 18 . 1 1 37 37 ARG N N 37 119.000 119.000 119.064 -0.064 25588 14040 1 18 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.032 0.769 25588 14041 1 18 . 1 1 37 37 ARG C C 37 178.500 178.500 179.169 -0.669 25588 14042 1 18 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.402 -2.982 25588 14043 1 18 . 1 1 37 37 ARG H H 37 8.474 8.474 8.036 0.438 25588 14044 1 18 . 1 1 38 38 SER N N 38 118.800 118.800 115.357 3.443 25588 14045 1 18 . 1 1 38 38 SER HA H 38 4.380 4.380 4.227 0.153 25588 14046 1 18 . 1 1 38 38 SER C C 38 172.200 172.200 176.065 -3.865 25588 14047 1 18 . 1 1 38 38 SER CA C 38 58.930 58.930 60.768 -1.838 25588 14048 1 18 . 1 1 38 38 SER CB C 38 60.200 60.200 62.876 -2.676 25588 14049 1 18 . 1 1 38 38 SER H H 38 7.899 7.899 8.022 -0.123 25588 14050 1 18 . 1 1 39 39 LEU N N 39 120.600 120.600 120.347 0.253 25588 14051 1 18 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.439 0.056 25588 14052 1 18 . 1 1 39 39 LEU C C 39 174.800 174.800 176.584 -1.784 25588 14053 1 18 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.140 -2.210 25588 14054 1 18 . 1 1 39 39 LEU H H 39 7.364 7.364 7.346 0.017 25588 14055 1 18 . 1 1 40 40 GLY N N 40 106.800 106.800 108.184 -1.384 25588 14056 1 18 . 1 1 40 40 GLY C C 40 171.700 171.700 174.174 -2.474 25588 14057 1 18 . 1 1 40 40 GLY CA C 40 42.970 42.970 45.577 -2.607 25588 14058 1 18 . 1 1 40 40 GLY H H 40 7.862 7.862 7.804 0.058 25588 14059 1 18 . 1 1 41 41 GLN N N 41 118.400 118.400 120.633 -2.233 25588 14060 1 18 . 1 1 41 41 GLN HA H 41 4.480 4.480 3.776 0.704 25588 14061 1 18 . 1 1 41 41 GLN C C 41 171.400 171.400 173.932 -2.532 25588 14062 1 18 . 1 1 41 41 GLN CA C 41 51.890 51.890 56.639 -4.749 25588 14063 1 18 . 1 1 41 41 GLN CB C 41 28.080 28.080 28.366 -0.286 25588 14064 1 18 . 1 1 41 41 GLN H H 41 7.788 7.788 8.076 -0.288 25588 14065 1 18 . 1 1 42 42 ASN N N 42 116.300 116.300 120.642 -4.342 25588 14066 1 18 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.292 -0.099 25588 14067 1 18 . 1 1 42 42 ASN CA C 42 48.620 48.620 50.298 -1.678 25588 14068 1 18 . 1 1 42 42 ASN H H 42 8.665 8.665 8.711 -0.046 25588 14069 1 18 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.048 0.687 25588 14070 1 18 . 1 1 43 43 PRO C C 43 175.100 175.100 178.345 -3.245 25588 14071 1 18 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.591 -5.811 25588 14072 1 18 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.797 -2.407 25588 14073 1 18 . 1 1 44 44 THR N N 44 112.900 112.900 113.305 -0.405 25588 14074 1 18 . 1 1 44 44 THR HA H 44 4.707 4.707 3.915 0.792 25588 14075 1 18 . 1 1 44 44 THR C C 44 172.600 172.600 176.673 -4.073 25588 14076 1 18 . 1 1 44 44 THR CA C 44 57.830 57.830 66.276 -8.446 25588 14077 1 18 . 1 1 44 44 THR CB C 44 68.490 68.490 68.509 -0.019 25588 14078 1 18 . 1 1 44 44 THR H H 44 8.702 8.702 7.842 0.860 25588 14079 1 18 . 1 1 45 45 GLU N N 45 120.800 120.800 120.038 0.762 25588 14080 1 18 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.293 -0.319 25588 14081 1 18 . 1 1 45 45 GLU C C 45 176.300 176.300 178.304 -2.004 25588 14082 1 18 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.117 -0.657 25588 14083 1 18 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.619 -3.199 25588 14084 1 18 . 1 1 45 45 GLU H H 45 8.789 8.789 8.399 0.390 25588 14085 1 18 . 1 1 46 46 ALA N N 46 120.700 120.700 124.330 -3.630 25588 14086 1 18 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.008 0.081 25588 14087 1 18 . 1 1 46 46 ALA C C 46 177.700 177.700 179.489 -1.789 25588 14088 1 18 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.478 -3.068 25588 14089 1 18 . 1 1 46 46 ALA CB C 46 15.650 15.650 18.020 -2.370 25588 14090 1 18 . 1 1 46 46 ALA H H 46 8.241 8.241 8.407 -0.166 25588 14091 1 18 . 1 1 47 47 GLU N N 47 118.900 118.900 117.997 0.903 25588 14092 1 18 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.142 -0.140 25588 14093 1 18 . 1 1 47 47 GLU C C 47 177.500 177.500 179.241 -1.741 25588 14094 1 18 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.798 -2.388 25588 14095 1 18 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.621 -2.561 25588 14096 1 18 . 1 1 47 47 GLU H H 47 7.682 7.682 7.718 -0.036 25588 14097 1 18 . 1 1 48 48 LEU N N 48 120.600 120.600 120.229 0.371 25588 14098 1 18 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.008 0.053 25588 14099 1 18 . 1 1 48 48 LEU C C 48 175.900 175.900 178.767 -2.867 25588 14100 1 18 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.009 -1.739 25588 14101 1 18 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.622 -1.882 25588 14102 1 18 . 1 1 48 48 LEU H H 48 8.169 8.169 7.446 0.723 25588 14103 1 18 . 1 1 49 49 GLN N N 49 118.200 118.200 119.582 -1.382 25588 14104 1 18 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.798 0.029 25588 14105 1 18 . 1 1 49 49 GLN C C 49 175.900 175.900 177.816 -1.916 25588 14106 1 18 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.490 -3.521 25588 14107 1 18 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.874 -2.354 25588 14108 1 18 . 1 1 49 49 GLN H H 49 8.179 8.179 8.548 -0.369 25588 14109 1 18 . 1 1 50 50 ASP N N 50 119.900 119.900 118.988 0.912 25588 14110 1 18 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.434 -0.051 25588 14111 1 18 . 1 1 50 50 ASP C C 50 175.900 175.900 178.174 -2.274 25588 14112 1 18 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.597 -1.647 25588 14113 1 18 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.582 -2.792 25588 14114 1 18 . 1 1 50 50 ASP H H 50 8.037 8.037 7.679 0.358 25588 14115 1 18 . 1 1 51 51 MET N N 51 119.300 119.300 120.455 -1.155 25588 14116 1 18 . 1 1 51 51 MET HA H 51 4.028 4.028 4.092 -0.064 25588 14117 1 18 . 1 1 51 51 MET C C 51 176.200 176.200 178.241 -2.041 25588 14118 1 18 . 1 1 51 51 MET CA C 51 56.710 56.710 59.106 -2.396 25588 14119 1 18 . 1 1 51 51 MET CB C 51 30.570 30.570 32.693 -2.123 25588 14120 1 18 . 1 1 51 51 MET H H 51 7.855 7.855 7.246 0.609 25588 14121 1 18 . 1 1 52 52 ILE N N 52 118.200 118.200 119.668 -1.468 25588 14122 1 18 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.509 -0.020 25588 14123 1 18 . 1 1 52 52 ILE C C 52 175.100 175.100 177.892 -2.792 25588 14124 1 18 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.810 -3.590 25588 14125 1 18 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.707 1.623 25588 14126 1 18 . 1 1 52 52 ILE H H 52 7.701 7.701 8.837 -1.136 25588 14127 1 18 . 1 1 53 53 ASN N N 53 117.700 117.700 117.754 -0.054 25588 14128 1 18 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.346 0.015 25588 14129 1 18 . 1 1 53 53 ASN C C 53 174.800 174.800 177.501 -2.701 25588 14130 1 18 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.947 -3.658 25588 14131 1 18 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.175 -2.735 25588 14132 1 18 . 1 1 53 53 ASN H H 53 8.529 8.529 7.859 0.670 25588 14133 1 18 . 1 1 54 54 GLU N N 54 116.400 116.400 120.071 -3.671 25588 14134 1 18 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.983 0.038 25588 14135 1 18 . 1 1 54 54 GLU C C 54 175.000 175.000 177.900 -2.900 25588 14136 1 18 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.294 -3.054 25588 14137 1 18 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.857 -2.027 25588 14138 1 18 . 1 1 54 54 GLU H H 54 7.573 7.573 7.724 -0.151 25588 14139 1 18 . 1 1 55 55 VAL N N 55 108.400 108.400 116.840 -8.440 25588 14140 1 18 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.885 0.561 25588 14141 1 18 . 1 1 55 55 VAL C C 55 173.100 173.100 177.942 -4.842 25588 14142 1 18 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.220 -7.130 25588 14143 1 18 . 1 1 55 55 VAL H H 55 7.204 7.204 7.767 -0.563 25588 14144 1 18 . 1 1 56 56 ASP N N 56 126.900 126.900 119.656 7.244 25588 14145 1 18 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.521 0.117 25588 14146 1 18 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.020 -3.970 25588 14147 1 18 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.792 -3.312 25588 14148 1 18 . 1 1 56 56 ASP H H 56 7.649 7.649 8.559 -0.910 25588 14149 1 18 . 1 1 57 57 ALA N N 57 131.900 131.900 120.905 10.995 25588 14150 1 18 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.186 -0.004 25588 14151 1 18 . 1 1 57 57 ALA C C 57 176.000 176.000 177.890 -1.890 25588 14152 1 18 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.256 -1.566 25588 14153 1 18 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.177 -1.277 25588 14154 1 18 . 1 1 57 57 ALA H H 57 8.458 8.458 7.844 0.614 25588 14155 1 18 . 1 1 58 58 ASP N N 58 113.800 113.800 118.476 -4.676 25588 14156 1 18 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.401 0.210 25588 14157 1 18 . 1 1 58 58 ASP C C 58 175.200 175.200 177.164 -1.964 25588 14158 1 18 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.592 -5.552 25588 14159 1 18 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.687 -3.487 25588 14160 1 18 . 1 1 58 58 ASP H H 58 8.125 8.125 7.583 0.542 25588 14161 1 18 . 1 1 59 59 GLY N N 59 108.400 108.400 105.616 2.784 25588 14162 1 18 . 1 1 59 59 GLY C C 59 172.500 172.500 173.298 -0.798 25588 14163 1 18 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.262 -0.602 25588 14164 1 18 . 1 1 59 59 GLY H H 59 7.550 7.550 7.781 -0.231 25588 14165 1 18 . 1 1 60 60 ASN N N 60 120.600 120.600 117.113 3.487 25588 14166 1 18 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.738 -0.251 25588 14167 1 18 . 1 1 60 60 ASN C C 60 174.800 174.800 174.893 -0.093 25588 14168 1 18 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.577 -1.397 25588 14169 1 18 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.302 -1.462 25588 14170 1 18 . 1 1 60 60 ASN H H 60 8.356 8.356 8.216 0.140 25588 14171 1 18 . 1 1 61 61 GLY N N 61 113.300 113.300 107.328 5.972 25588 14172 1 18 . 1 1 61 61 GLY C C 61 171.100 171.100 173.768 -2.668 25588 14173 1 18 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.889 -3.059 25588 14174 1 18 . 1 1 61 61 GLY H H 61 10.610 10.610 8.744 1.866 25588 14175 1 18 . 1 1 62 62 THR N N 62 112.900 112.900 112.080 0.820 25588 14176 1 18 . 1 1 62 62 THR HA H 62 4.756 4.756 4.536 0.220 25588 14177 1 18 . 1 1 62 62 THR C C 62 170.500 170.500 173.045 -2.545 25588 14178 1 18 . 1 1 62 62 THR CA C 62 57.050 57.050 59.789 -2.739 25588 14179 1 18 . 1 1 62 62 THR CB C 62 69.100 69.100 72.117 -3.017 25588 14180 1 18 . 1 1 62 62 THR H H 62 8.111 8.111 7.712 0.399 25588 14181 1 18 . 1 1 63 63 ILE N N 63 123.900 123.900 123.597 0.303 25588 14182 1 18 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.314 0.838 25588 14183 1 18 . 1 1 63 63 ILE C C 63 172.900 172.900 174.558 -1.658 25588 14184 1 18 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.272 -2.912 25588 14185 1 18 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.560 -4.700 25588 14186 1 18 . 1 1 63 63 ILE H H 63 8.905 8.905 8.140 0.765 25588 14187 1 18 . 1 1 64 64 ASP N N 64 128.200 128.200 125.999 2.201 25588 14188 1 18 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.768 0.574 25588 14189 1 18 . 1 1 64 64 ASP C C 64 173.700 173.700 177.025 -3.325 25588 14190 1 18 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.092 -4.622 25588 14191 1 18 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.741 -2.091 25588 14192 1 18 . 1 1 64 64 ASP H H 64 8.778 8.778 8.331 0.447 25588 14193 1 18 . 1 1 65 65 PHE N N 65 118.700 118.700 120.446 -1.746 25588 14194 1 18 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.793 -2.773 25588 14195 1 18 . 1 1 65 65 PHE H H 65 8.903 8.903 8.958 -0.055 25588 14196 1 18 . 1 1 66 66 PRO C C 66 177.400 177.400 178.883 -1.483 25588 14197 1 18 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.436 -2.476 25588 14198 1 18 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.310 -3.250 25588 14199 1 18 . 1 1 67 67 GLU N N 67 117.600 117.600 117.730 -0.130 25588 14200 1 18 . 1 1 67 67 GLU C C 67 176.100 176.100 178.900 -2.800 25588 14201 1 18 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.310 -3.240 25588 14202 1 18 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.253 -2.503 25588 14203 1 18 . 1 1 67 67 GLU H H 67 7.894 7.894 8.622 -0.728 25588 14204 1 18 . 1 1 68 68 PHE N N 68 123.500 123.500 122.166 1.334 25588 14205 1 18 . 1 1 68 68 PHE C C 68 174.400 174.400 176.938 -2.538 25588 14206 1 18 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.624 -3.014 25588 14207 1 18 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.915 -1.395 25588 14208 1 18 . 1 1 68 68 PHE H H 68 8.826 8.826 8.156 0.670 25588 14209 1 18 . 1 1 69 69 LEU N N 69 119.000 119.000 118.568 0.432 25588 14210 1 18 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.803 -0.469 25588 14211 1 18 . 1 1 69 69 LEU C C 69 176.600 176.600 179.012 -2.412 25588 14212 1 18 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.136 -2.787 25588 14213 1 18 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.570 -3.390 25588 14214 1 18 . 1 1 69 69 LEU H H 69 8.321 8.321 8.487 -0.166 25588 14215 1 18 . 1 1 70 70 THR N N 70 115.500 115.500 115.060 0.440 25588 14216 1 18 . 1 1 70 70 THR HA H 70 4.317 4.317 3.940 0.377 25588 14217 1 18 . 1 1 70 70 THR C C 70 173.400 173.400 176.340 -2.940 25588 14218 1 18 . 1 1 70 70 THR CA C 70 63.720 63.720 66.584 -2.864 25588 14219 1 18 . 1 1 70 70 THR CB C 70 65.630 65.630 68.641 -3.011 25588 14220 1 18 . 1 1 70 70 THR H H 70 7.476 7.476 7.602 -0.126 25588 14221 1 18 . 1 1 71 71 MET N N 71 121.700 121.700 121.584 0.116 25588 14222 1 18 . 1 1 71 71 MET HA H 71 3.758 3.758 3.991 -0.233 25588 14223 1 18 . 1 1 71 71 MET C C 71 175.600 175.600 177.638 -2.038 25588 14224 1 18 . 1 1 71 71 MET CA C 71 56.370 56.370 59.200 -2.830 25588 14225 1 18 . 1 1 71 71 MET CB C 71 30.590 30.590 32.555 -1.965 25588 14226 1 18 . 1 1 71 71 MET H H 71 7.774 7.774 8.518 -0.744 25588 14227 1 18 . 1 1 72 72 MET N N 72 116.900 116.900 117.107 -0.207 25588 14228 1 18 . 1 1 72 72 MET HA H 72 3.993 3.993 3.953 0.040 25588 14229 1 18 . 1 1 72 72 MET C C 72 175.900 175.900 178.270 -2.370 25588 14230 1 18 . 1 1 72 72 MET CA C 72 53.200 53.200 57.405 -4.205 25588 14231 1 18 . 1 1 72 72 MET CB C 72 28.520 28.520 30.958 -2.438 25588 14232 1 18 . 1 1 72 72 MET H H 72 8.082 8.082 7.959 0.123 25588 14233 1 18 . 1 1 73 73 ALA N N 73 122.300 122.300 122.065 0.235 25588 14234 1 18 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.890 0.184 25588 14235 1 18 . 1 1 73 73 ALA C C 73 177.200 177.200 178.994 -1.794 25588 14236 1 18 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.879 -2.909 25588 14237 1 18 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.366 -2.626 25588 14238 1 18 . 1 1 73 73 ALA H H 73 8.149 8.149 7.535 0.614 25588 14239 1 18 . 1 1 74 74 ARG N N 74 116.600 116.600 116.948 -0.348 25588 14240 1 18 . 1 1 74 74 ARG C C 74 175.200 175.200 178.573 -3.373 25588 14241 1 18 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.949 -3.389 25588 14242 1 18 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.292 -2.642 25588 14243 1 18 . 1 1 74 74 ARG H H 74 7.564 7.564 7.481 0.083 25588 14244 1 18 . 1 1 75 75 LYS N N 75 118.800 118.800 117.500 1.300 25588 14245 1 18 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.100 0.095 25588 14246 1 18 . 1 1 75 75 LYS C C 75 175.100 175.100 177.549 -2.449 25588 14247 1 18 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.567 -2.837 25588 14248 1 18 . 1 1 75 75 LYS H H 75 7.668 7.668 7.747 -0.079 25588 14249 1 18 . 1 1 76 76 MET N N 76 118.300 118.300 118.201 0.099 25588 14250 1 18 . 1 1 76 76 MET HA H 76 4.331 4.331 4.436 -0.105 25588 14251 1 18 . 1 1 76 76 MET C C 76 173.900 173.900 174.972 -1.072 25588 14252 1 18 . 1 1 76 76 MET CA C 76 54.010 54.010 54.279 -0.269 25588 14253 1 18 . 1 1 76 76 MET H H 76 7.861 7.861 7.923 -0.062 25588 14254 1 18 . 1 1 77 77 LYS N N 77 120.200 120.200 120.524 -0.324 25588 14255 1 18 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.540 -0.242 25588 14256 1 18 . 1 1 77 77 LYS C C 77 173.800 173.800 175.967 -2.167 25588 14257 1 18 . 1 1 77 77 LYS CA C 77 54.070 54.070 54.642 -0.572 25588 14258 1 18 . 1 1 77 77 LYS CB C 77 30.370 30.370 34.864 -4.494 25588 14259 1 18 . 1 1 77 77 LYS H H 77 7.797 7.797 8.234 -0.437 25588 14260 1 18 . 1 1 78 78 ASP N N 78 121.400 121.400 122.972 -1.572 25588 14261 1 18 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.520 0.153 25588 14262 1 18 . 1 1 78 78 ASP C C 78 173.900 173.900 178.062 -4.162 25588 14263 1 18 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.826 -2.926 25588 14264 1 18 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.567 -3.057 25588 14265 1 18 . 1 1 78 78 ASP H H 78 8.191 8.191 8.529 -0.338 25588 14266 1 18 . 1 1 79 79 THR N N 79 114.600 114.600 111.502 3.098 25588 14267 1 18 . 1 1 79 79 THR HA H 79 4.263 4.263 3.963 0.300 25588 14268 1 18 . 1 1 79 79 THR C C 79 171.900 171.900 175.745 -3.845 25588 14269 1 18 . 1 1 79 79 THR CA C 79 59.510 59.510 65.319 -5.809 25588 14270 1 18 . 1 1 79 79 THR CB C 79 67.090 67.090 68.870 -1.780 25588 14271 1 18 . 1 1 79 79 THR H H 79 8.063 8.063 8.426 -0.363 25588 14272 1 18 . 1 1 80 80 ASP N N 80 123.100 123.100 120.816 2.284 25588 14273 1 18 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.509 0.203 25588 14274 1 18 . 1 1 80 80 ASP C C 80 173.900 173.900 178.151 -4.251 25588 14275 1 18 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.075 -4.175 25588 14276 1 18 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.606 -0.936 25588 14277 1 18 . 1 1 80 80 ASP H H 80 8.423 8.423 8.678 -0.255 25588 14278 1 18 . 1 1 81 81 SER N N 81 116.900 116.900 116.091 0.809 25588 14279 1 18 . 1 1 81 81 SER HA H 81 4.498 4.498 4.145 0.353 25588 14280 1 18 . 1 1 81 81 SER C C 81 172.700 172.700 176.063 -3.363 25588 14281 1 18 . 1 1 81 81 SER CA C 81 56.360 56.360 61.912 -5.552 25588 14282 1 18 . 1 1 81 81 SER CB C 81 61.310 61.310 63.075 -1.765 25588 14283 1 18 . 1 1 81 81 SER H H 81 8.357 8.357 7.974 0.383 25588 14284 1 18 . 1 1 82 82 GLU N N 82 122.800 122.800 122.360 0.440 25588 14285 1 18 . 1 1 82 82 GLU HA H 82 4.128 4.128 4.042 0.086 25588 14286 1 18 . 1 1 82 82 GLU C C 82 175.300 175.300 178.802 -3.502 25588 14287 1 18 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.931 -3.661 25588 14288 1 18 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.511 -2.761 25588 14289 1 18 . 1 1 82 82 GLU H H 82 8.532 8.532 7.938 0.594 25588 14290 1 18 . 1 1 83 83 GLU N N 83 119.400 119.400 117.992 1.408 25588 14291 1 18 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.050 -0.016 25588 14292 1 18 . 1 1 83 83 GLU C C 83 176.000 176.000 179.098 -3.098 25588 14293 1 18 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.970 -1.900 25588 14294 1 18 . 1 1 83 83 GLU H H 83 8.365 8.365 7.762 0.603 25588 14295 1 18 . 1 1 84 84 GLU N N 84 118.700 118.700 119.476 -0.776 25588 14296 1 18 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.130 0.017 25588 14297 1 18 . 1 1 84 84 GLU C C 84 177.000 177.000 179.421 -2.421 25588 14298 1 18 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.708 -2.038 25588 14299 1 18 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.705 -2.905 25588 14300 1 18 . 1 1 84 84 GLU H H 84 8.073 8.073 7.458 0.615 25588 14301 1 18 . 1 1 85 85 ILE N N 85 122.200 122.200 119.753 2.447 25588 14302 1 18 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.773 0.221 25588 14303 1 18 . 1 1 85 85 ILE C C 85 175.300 175.300 177.628 -2.328 25588 14304 1 18 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.139 -2.009 25588 14305 1 18 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.674 -3.174 25588 14306 1 18 . 1 1 85 85 ILE H H 85 8.043 8.043 8.867 -0.824 25588 14307 1 18 . 1 1 86 86 ARG N N 86 121.700 121.700 119.771 1.929 25588 14308 1 18 . 1 1 86 86 ARG C C 86 176.700 176.700 178.857 -2.157 25588 14309 1 18 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.568 -2.208 25588 14310 1 18 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.619 -2.570 25588 14311 1 18 . 1 1 86 86 ARG H H 86 8.415 8.415 7.740 0.675 25588 14312 1 18 . 1 1 87 87 GLU N N 87 118.600 118.600 119.729 -1.129 25588 14313 1 18 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.106 0.003 25588 14314 1 18 . 1 1 87 87 GLU C C 87 175.900 175.900 177.819 -1.919 25588 14315 1 18 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.906 -2.476 25588 14316 1 18 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.282 -2.732 25588 14317 1 18 . 1 1 87 87 GLU H H 87 8.056 8.056 7.793 0.263 25588 14318 1 18 . 1 1 88 88 ALA N N 88 122.000 122.000 120.566 1.434 25588 14319 1 18 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.247 -0.029 25588 14320 1 18 . 1 1 88 88 ALA C C 88 176.600 176.600 178.838 -2.238 25588 14321 1 18 . 1 1 88 88 ALA CA C 88 52.450 52.450 53.707 -1.257 25588 14322 1 18 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.149 -2.849 25588 14323 1 18 . 1 1 88 88 ALA H H 88 7.934 7.934 7.452 0.482 25588 14324 1 18 . 1 1 89 89 PHE N N 89 118.900 118.900 120.977 -2.077 25588 14325 1 18 . 1 1 89 89 PHE HA H 89 3.151 3.151 3.983 -0.832 25588 14326 1 18 . 1 1 89 89 PHE C C 89 173.800 173.800 176.854 -3.054 25588 14327 1 18 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.471 -1.970 25588 14328 1 18 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.711 -2.341 25588 14329 1 18 . 1 1 89 89 PHE H H 89 8.537 8.537 7.818 0.719 25588 14330 1 18 . 1 1 90 90 ARG N N 90 115.600 115.600 118.504 -2.904 25588 14331 1 18 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.553 0.311 25588 14332 1 18 . 1 1 90 90 ARG C C 90 175.500 175.500 177.991 -2.491 25588 14333 1 18 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.145 -3.035 25588 14334 1 18 . 1 1 90 90 ARG CB C 90 27.650 27.650 29.928 -2.278 25588 14335 1 18 . 1 1 90 90 ARG H H 90 7.656 7.656 7.895 -0.239 25588 14336 1 18 . 1 1 91 91 VAL N N 91 118.300 118.300 118.203 0.097 25588 14337 1 18 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.683 -0.196 25588 14338 1 18 . 1 1 91 91 VAL C C 91 174.700 174.700 178.187 -3.487 25588 14339 1 18 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.636 -2.626 25588 14340 1 18 . 1 1 91 91 VAL H H 91 7.496 7.496 7.632 -0.136 25588 14341 1 18 . 1 1 92 92 PHE N N 92 116.300 116.300 119.160 -2.860 25588 14342 1 18 . 1 1 92 92 PHE C C 92 174.300 174.300 175.947 -1.647 25588 14343 1 18 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.454 -3.044 25588 14344 1 18 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.667 -2.047 25588 14345 1 18 . 1 1 92 92 PHE H H 92 7.460 7.460 8.441 -0.981 25588 14346 1 18 . 1 1 93 93 ASP N N 93 116.900 116.900 116.621 0.279 25588 14347 1 18 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.626 -0.122 25588 14348 1 18 . 1 1 93 93 ASP C C 93 174.900 174.900 175.443 -0.543 25588 14349 1 18 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.829 -3.289 25588 14350 1 18 . 1 1 93 93 ASP H H 93 7.821 7.821 7.902 -0.081 25588 14351 1 18 . 1 1 94 94 LYS N N 94 125.900 125.900 124.250 1.650 25588 14352 1 18 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.026 -0.138 25588 14353 1 18 . 1 1 94 94 LYS C C 94 175.700 175.700 177.566 -1.866 25588 14354 1 18 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.501 -2.091 25588 14355 1 18 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.481 -2.311 25588 14356 1 18 . 1 1 94 94 LYS H H 94 7.689 7.689 8.436 -0.747 25588 14357 1 18 . 1 1 95 95 ASP N N 95 114.000 114.000 115.799 -1.799 25588 14358 1 18 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.343 0.211 25588 14359 1 18 . 1 1 95 95 ASP C C 95 175.100 175.100 178.083 -2.983 25588 14360 1 18 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.299 -4.979 25588 14361 1 18 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.736 -3.746 25588 14362 1 18 . 1 1 95 95 ASP H H 95 8.179 8.179 8.094 0.085 25588 14363 1 18 . 1 1 96 96 GLY N N 96 109.300 109.300 110.092 -0.792 25588 14364 1 18 . 1 1 96 96 GLY C C 96 172.500 172.500 175.387 -2.887 25588 14365 1 18 . 1 1 96 96 GLY CA C 96 44.500 44.500 47.008 -2.507 25588 14366 1 18 . 1 1 96 96 GLY H H 96 7.765 7.765 8.440 -0.675 25588 14367 1 18 . 1 1 97 97 ASN N N 97 119.600 119.600 123.355 -3.755 25588 14368 1 18 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.570 0.074 25588 14369 1 18 . 1 1 97 97 ASN C C 97 173.400 173.400 175.584 -2.184 25588 14370 1 18 . 1 1 97 97 ASN CA C 97 50.070 50.070 53.678 -3.608 25588 14371 1 18 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.880 -3.360 25588 14372 1 18 . 1 1 97 97 ASN H H 97 8.302 8.302 8.569 -0.267 25588 14373 1 18 . 1 1 98 98 GLY N N 98 113.000 113.000 105.880 7.120 25588 14374 1 18 . 1 1 98 98 GLY C C 98 169.800 169.800 172.233 -2.433 25588 14375 1 18 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.292 -1.782 25588 14376 1 18 . 1 1 98 98 GLY H H 98 10.620 10.620 7.357 3.263 25588 14377 1 18 . 1 1 99 99 TYR N N 99 115.900 115.900 117.945 -2.045 25588 14378 1 18 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.625 0.411 25588 14379 1 18 . 1 1 99 99 TYR C C 99 171.900 171.900 175.742 -3.842 25588 14380 1 18 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.934 -3.544 25588 14381 1 18 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.206 -0.676 25588 14382 1 18 . 1 1 99 99 TYR H H 99 7.597 7.597 7.919 -0.322 25588 14383 1 18 . 1 1 100 100 ILE N N 100 127.400 127.400 123.786 3.614 25588 14384 1 18 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.265 0.514 25588 14385 1 18 . 1 1 100 100 ILE C C 100 172.900 172.900 176.340 -3.440 25588 14386 1 18 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.151 -3.491 25588 14387 1 18 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.593 -2.643 25588 14388 1 18 . 1 1 100 100 ILE H H 100 10.120 10.120 8.409 1.711 25588 14389 1 18 . 1 1 101 101 SER N N 101 123.800 123.800 123.584 0.216 25588 14390 1 18 . 1 1 101 101 SER C C 101 172.600 172.600 175.762 -3.162 25588 14391 1 18 . 1 1 101 101 SER CA C 101 53.180 53.180 57.349 -4.169 25588 14392 1 18 . 1 1 101 101 SER CB C 101 63.970 63.970 65.539 -1.569 25588 14393 1 18 . 1 1 101 101 SER H H 101 8.944 8.944 8.184 0.760 25588 14394 1 18 . 1 1 102 102 ALA N N 102 122.900 122.900 124.230 -1.330 25588 14395 1 18 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.095 -0.181 25588 14396 1 18 . 1 1 102 102 ALA C C 102 176.700 176.700 178.978 -2.278 25588 14397 1 18 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.275 -1.975 25588 14398 1 18 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.499 -3.049 25588 14399 1 18 . 1 1 102 102 ALA H H 102 9.178 9.178 9.040 0.138 25588 14400 1 18 . 1 1 103 103 ALA N N 103 118.400 118.400 121.425 -3.025 25588 14401 1 18 . 1 1 103 103 ALA C C 103 178.700 178.700 180.053 -1.353 25588 14402 1 18 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.980 -2.430 25588 14403 1 18 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.238 -2.358 25588 14404 1 18 . 1 1 103 103 ALA H H 103 8.205 8.205 7.845 0.360 25588 14405 1 18 . 1 1 104 104 GLU N N 104 119.700 119.700 118.624 1.076 25588 14406 1 18 . 1 1 104 104 GLU C C 104 176.600 176.600 179.015 -2.415 25588 14407 1 18 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.978 -2.338 25588 14408 1 18 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.682 -3.042 25588 14409 1 18 . 1 1 104 104 GLU H H 104 7.835 7.835 7.635 0.200 25588 14410 1 18 . 1 1 105 105 LEU N N 105 121.000 121.000 121.152 -0.152 25588 14411 1 18 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.066 0.033 25588 14412 1 18 . 1 1 105 105 LEU C C 105 175.800 175.800 178.180 -2.380 25588 14413 1 18 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.737 -2.077 25588 14414 1 18 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.950 -7.389 25588 14415 1 18 . 1 1 105 105 LEU H H 105 8.571 8.571 8.268 0.303 25588 14416 1 18 . 1 1 106 106 ARG N N 106 117.500 117.500 118.608 -1.108 25588 14417 1 18 . 1 1 106 106 ARG C C 106 176.000 176.000 177.738 -1.738 25588 14418 1 18 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.353 -3.123 25588 14419 1 18 . 1 1 106 106 ARG H H 106 8.522 8.522 8.015 0.507 25588 14420 1 18 . 1 1 107 107 HIS N N 107 119.000 119.000 116.632 2.368 25588 14421 1 18 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.331 -0.045 25588 14422 1 18 . 1 1 107 107 HIS C C 107 174.900 174.900 177.358 -2.458 25588 14423 1 18 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.604 -2.514 25588 14424 1 18 . 1 1 107 107 HIS H H 107 7.889 7.889 8.025 -0.136 25588 14425 1 18 . 1 1 108 108 VAL N N 108 118.900 118.900 119.502 -0.602 25588 14426 1 18 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.592 -0.107 25588 14427 1 18 . 1 1 108 108 VAL C C 108 175.400 175.400 178.003 -2.603 25588 14428 1 18 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.077 -2.557 25588 14429 1 18 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.502 -2.302 25588 14430 1 18 . 1 1 108 108 VAL H H 108 7.958 7.958 7.477 0.481 25588 14431 1 18 . 1 1 109 109 MET N N 109 116.400 116.400 117.859 -1.459 25588 14432 1 18 . 1 1 109 109 MET HA H 109 4.331 4.331 4.128 0.203 25588 14433 1 18 . 1 1 109 109 MET C C 109 176.000 176.000 178.804 -2.804 25588 14434 1 18 . 1 1 109 109 MET CA C 109 54.910 54.910 57.700 -2.790 25588 14435 1 18 . 1 1 109 109 MET CB C 109 28.750 28.750 31.031 -2.281 25588 14436 1 18 . 1 1 109 109 MET H H 109 8.247 8.247 8.055 0.192 25588 14437 1 18 . 1 1 110 110 THR N N 110 114.900 114.900 114.767 0.133 25588 14438 1 18 . 1 1 110 110 THR HA H 110 4.152 4.152 4.169 -0.017 25588 14439 1 18 . 1 1 110 110 THR C C 110 175.000 175.000 175.664 -0.664 25588 14440 1 18 . 1 1 110 110 THR CA C 110 63.270 63.270 65.786 -2.516 25588 14441 1 18 . 1 1 110 110 THR CB C 110 66.230 66.230 68.573 -2.344 25588 14442 1 18 . 1 1 110 110 THR H H 110 8.125 8.125 7.731 0.394 25588 14443 1 18 . 1 1 111 111 ASN N N 111 122.200 122.200 118.031 4.169 25588 14444 1 18 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.464 -0.027 25588 14445 1 18 . 1 1 111 111 ASN C C 111 173.700 173.700 177.391 -3.691 25588 14446 1 18 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.359 -2.289 25588 14447 1 18 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.293 -2.473 25588 14448 1 18 . 1 1 111 111 ASN H H 111 7.867 7.867 7.465 0.402 25588 14449 1 18 . 1 1 112 112 LEU N N 112 119.100 119.100 119.089 0.011 25588 14450 1 18 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.085 0.248 25588 14451 1 18 . 1 1 112 112 LEU C C 112 174.700 174.700 176.723 -2.023 25588 14452 1 18 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.544 -3.784 25588 14453 1 18 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.705 -3.255 25588 14454 1 18 . 1 1 112 112 LEU H H 112 7.850 7.850 7.285 0.565 25588 14455 1 18 . 1 1 113 113 GLY N N 113 106.800 106.800 103.647 3.153 25588 14456 1 18 . 1 1 113 113 GLY C C 113 171.700 171.700 172.236 -0.536 25588 14457 1 18 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.209 -2.420 25588 14458 1 18 . 1 1 113 113 GLY H H 113 7.830 7.830 7.473 0.357 25588 14459 1 18 . 1 1 114 114 GLU N N 114 120.600 120.600 119.096 1.504 25588 14460 1 18 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.620 -0.220 25588 14461 1 18 . 1 1 114 114 GLU C C 114 172.800 172.800 177.297 -4.497 25588 14462 1 18 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.270 -3.600 25588 14463 1 18 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.813 -2.853 25588 14464 1 18 . 1 1 114 114 GLU H H 114 7.914 7.914 8.704 -0.790 25588 14465 1 18 . 1 1 115 115 LYS N N 115 124.000 124.000 119.798 4.202 25588 14466 1 18 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.128 0.229 25588 14467 1 18 . 1 1 115 115 LYS C C 115 173.000 173.000 176.529 -3.529 25588 14468 1 18 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.070 -5.050 25588 14469 1 18 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.589 -3.179 25588 14470 1 18 . 1 1 115 115 LYS H H 115 8.505 8.505 8.381 0.124 25588 14471 1 18 . 1 1 116 116 LEU N N 116 125.000 125.000 118.363 6.637 25588 14472 1 18 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.401 0.358 25588 14473 1 18 . 1 1 116 116 LEU C C 116 175.300 175.300 177.039 -1.739 25588 14474 1 18 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.943 -2.523 25588 14475 1 18 . 1 1 116 116 LEU CB C 116 42.110 42.110 42.894 -0.784 25588 14476 1 18 . 1 1 116 116 LEU H H 116 8.076 8.076 7.729 0.347 25588 14477 1 18 . 1 1 117 117 THR N N 117 114.500 114.500 111.134 3.366 25588 14478 1 18 . 1 1 117 117 THR HA H 117 4.453 4.453 4.255 0.198 25588 14479 1 18 . 1 1 117 117 THR C C 117 172.800 172.800 174.211 -1.411 25588 14480 1 18 . 1 1 117 117 THR CA C 117 57.970 57.970 61.717 -3.747 25588 14481 1 18 . 1 1 117 117 THR CB C 117 68.610 68.610 69.979 -1.369 25588 14482 1 18 . 1 1 117 117 THR H H 117 9.116 9.116 8.171 0.945 25588 14483 1 18 . 1 1 118 118 ASP N N 118 121.000 121.000 119.222 1.778 25588 14484 1 18 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.638 -0.442 25588 14485 1 18 . 1 1 118 118 ASP C C 118 175.900 175.900 177.643 -1.743 25588 14486 1 18 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.179 -0.819 25588 14487 1 18 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.981 -3.871 25588 14488 1 18 . 1 1 118 118 ASP H H 118 8.847 8.847 8.641 0.206 25588 14489 1 18 . 1 1 119 119 GLU N N 119 119.100 119.100 119.366 -0.266 25588 14490 1 18 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.439 -0.369 25588 14491 1 18 . 1 1 119 119 GLU C C 119 176.500 176.500 177.589 -1.089 25588 14492 1 18 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.785 -1.505 25588 14493 1 18 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.594 -3.164 25588 14494 1 18 . 1 1 119 119 GLU H H 119 8.626 8.626 8.421 0.205 25588 14495 1 18 . 1 1 120 120 GLU N N 120 120.500 120.500 118.337 2.163 25588 14496 1 18 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.057 -0.067 25588 14497 1 18 . 1 1 120 120 GLU C C 120 177.400 177.400 178.694 -1.294 25588 14498 1 18 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.344 -2.754 25588 14499 1 18 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.169 -0.379 25588 14500 1 18 . 1 1 120 120 GLU H H 120 7.724 7.724 8.840 -1.116 25588 14501 1 18 . 1 1 121 121 VAL N N 121 121.100 121.100 114.753 6.347 25588 14502 1 18 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.801 -0.214 25588 14503 1 18 . 1 1 121 121 VAL C C 121 174.600 174.600 177.741 -3.141 25588 14504 1 18 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.271 -0.961 25588 14505 1 18 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.407 -3.027 25588 14506 1 18 . 1 1 121 121 VAL H H 121 8.062 8.062 7.916 0.146 25588 14507 1 18 . 1 1 122 122 ASP N N 122 119.600 119.600 121.922 -2.322 25588 14508 1 18 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.344 -0.035 25588 14509 1 18 . 1 1 122 122 ASP C C 122 176.500 176.500 178.839 -2.339 25588 14510 1 18 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.326 -2.326 25588 14511 1 18 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.084 -2.184 25588 14512 1 18 . 1 1 122 122 ASP H H 122 8.007 8.007 7.748 0.259 25588 14513 1 18 . 1 1 123 123 GLU N N 123 119.300 119.300 119.198 0.102 25588 14514 1 18 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.068 -0.070 25588 14515 1 18 . 1 1 123 123 GLU C C 123 175.400 175.400 178.717 -3.317 25588 14516 1 18 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.594 -1.934 25588 14517 1 18 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.479 -2.689 25588 14518 1 18 . 1 1 123 123 GLU H H 123 7.967 7.967 8.066 -0.099 25588 14519 1 18 . 1 1 124 124 MET N N 124 119.600 119.600 120.795 -1.195 25588 14520 1 18 . 1 1 124 124 MET HA H 124 4.033 4.033 4.543 -0.510 25588 14521 1 18 . 1 1 124 124 MET C C 124 176.500 176.500 178.599 -2.099 25588 14522 1 18 . 1 1 124 124 MET CA C 124 56.970 56.970 58.452 -1.482 25588 14523 1 18 . 1 1 124 124 MET CB C 124 30.470 30.470 32.316 -1.846 25588 14524 1 18 . 1 1 124 124 MET H H 124 7.789 7.789 7.835 -0.046 25588 14525 1 18 . 1 1 125 125 ILE N N 125 118.500 118.500 116.269 2.231 25588 14526 1 18 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.775 -0.276 25588 14527 1 18 . 1 1 125 125 ILE C C 125 174.600 174.600 177.414 -2.814 25588 14528 1 18 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.641 -2.450 25588 14529 1 18 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.521 -4.011 25588 14530 1 18 . 1 1 125 125 ILE H H 125 7.940 7.940 7.713 0.227 25588 14531 1 18 . 1 1 126 126 ARG N N 126 118.300 118.300 119.025 -0.725 25588 14532 1 18 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.201 -0.193 25588 14533 1 18 . 1 1 126 126 ARG C C 126 176.800 176.800 178.447 -1.647 25588 14534 1 18 . 1 1 126 126 ARG CA C 126 57.100 57.100 58.975 -1.875 25588 14535 1 18 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.611 -3.041 25588 14536 1 18 . 1 1 126 126 ARG H H 126 8.168 8.168 7.933 0.235 25588 14537 1 18 . 1 1 127 127 GLU N N 127 116.300 116.300 119.604 -3.304 25588 14538 1 18 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.183 -0.200 25588 14539 1 18 . 1 1 127 127 GLU C C 127 174.700 174.700 177.578 -2.878 25588 14540 1 18 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.333 -2.453 25588 14541 1 18 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.592 -2.652 25588 14542 1 18 . 1 1 127 127 GLU H H 127 7.918 7.918 8.416 -0.498 25588 14543 1 18 . 1 1 128 128 ALA N N 128 119.100 119.100 121.042 -1.942 25588 14544 1 18 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.027 0.391 25588 14545 1 18 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.162 -4.652 25588 14546 1 18 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.794 -0.054 25588 14547 1 18 . 1 1 128 128 ALA H H 128 7.354 7.354 7.545 -0.191 25588 14548 1 18 . 1 1 129 129 ASP N N 129 117.400 117.400 118.004 -0.604 25588 14549 1 18 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.685 -0.183 25588 14550 1 18 . 1 1 129 129 ASP C C 129 173.400 173.400 176.798 -3.398 25588 14551 1 18 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.124 -1.714 25588 14552 1 18 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.817 -5.117 25588 14553 1 18 . 1 1 129 129 ASP H H 129 7.871 7.871 7.522 0.349 25588 14554 1 18 . 1 1 130 130 ILE N N 130 128.000 128.000 117.595 10.405 25588 14555 1 18 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.248 -0.331 25588 14556 1 18 . 1 1 130 130 ILE C C 130 175.300 175.300 176.020 -0.720 25588 14557 1 18 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.282 -0.572 25588 14558 1 18 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.792 -1.982 25588 14559 1 18 . 1 1 130 130 ILE H H 130 8.384 8.384 8.304 0.080 25588 14560 1 18 . 1 1 131 131 ASP N N 131 116.800 116.800 122.239 -5.439 25588 14561 1 18 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.491 0.059 25588 14562 1 18 . 1 1 131 131 ASP C C 131 175.600 175.600 177.713 -2.113 25588 14563 1 18 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.389 -5.169 25588 14564 1 18 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.334 -4.104 25588 14565 1 18 . 1 1 131 131 ASP H H 131 8.281 8.281 8.657 -0.376 25588 14566 1 18 . 1 1 132 132 GLY N N 132 108.500 108.500 107.757 0.743 25588 14567 1 18 . 1 1 132 132 GLY C C 132 172.600 172.600 174.680 -2.080 25588 14568 1 18 . 1 1 132 132 GLY CA C 132 44.850 44.850 45.908 -1.058 25588 14569 1 18 . 1 1 132 132 GLY H H 132 7.575 7.575 8.751 -1.176 25588 14570 1 18 . 1 1 133 133 ASP N N 133 120.800 120.800 117.106 3.694 25588 14571 1 18 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.642 -0.178 25588 14572 1 18 . 1 1 133 133 ASP C C 133 174.900 174.900 176.762 -1.862 25588 14573 1 18 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.222 -2.232 25588 14574 1 18 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.299 -2.709 25588 14575 1 18 . 1 1 133 133 ASP H H 133 8.326 8.326 8.065 0.261 25588 14576 1 18 . 1 1 134 134 GLY N N 134 112.900 112.900 108.728 4.172 25588 14577 1 18 . 1 1 134 134 GLY C C 134 170.200 170.200 173.572 -3.372 25588 14578 1 18 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.419 -2.369 25588 14579 1 18 . 1 1 134 134 GLY H H 134 10.310 10.310 8.124 2.186 25588 14580 1 18 . 1 1 135 135 GLN N N 135 115.400 115.400 120.665 -5.265 25588 14581 1 18 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.600 0.260 25588 14582 1 18 . 1 1 135 135 GLN C C 135 172.100 172.100 173.690 -1.590 25588 14583 1 18 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.654 -4.124 25588 14584 1 18 . 1 1 135 135 GLN CB C 135 30.020 30.020 31.957 -1.937 25588 14585 1 18 . 1 1 135 135 GLN H H 135 7.937 7.937 8.320 -0.383 25588 14586 1 18 . 1 1 136 136 VAL N N 136 125.500 125.500 124.004 1.496 25588 14587 1 18 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.789 0.401 25588 14588 1 18 . 1 1 136 136 VAL C C 136 173.200 173.200 174.757 -1.557 25588 14589 1 18 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.915 -1.815 25588 14590 1 18 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.019 -3.099 25588 14591 1 18 . 1 1 136 136 VAL H H 136 9.112 9.112 8.608 0.504 25588 14592 1 18 . 1 1 137 137 ASN N N 137 129.000 129.000 123.534 5.466 25588 14593 1 18 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.173 0.059 25588 14594 1 18 . 1 1 137 137 ASN C C 137 172.200 172.200 174.919 -2.719 25588 14595 1 18 . 1 1 137 137 ASN CA C 137 48.460 48.460 52.137 -3.677 25588 14596 1 18 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.959 -6.269 25588 14597 1 18 . 1 1 137 137 ASN H H 137 9.509 9.509 8.698 0.811 25588 14598 1 18 . 1 1 138 138 TYR N N 138 118.400 118.400 122.813 -4.413 25588 14599 1 18 . 1 1 138 138 TYR HA H 138 3.424 3.424 3.769 -0.345 25588 14600 1 18 . 1 1 138 138 TYR C C 138 173.500 173.500 176.779 -3.279 25588 14601 1 18 . 1 1 138 138 TYR CA C 138 60.030 60.030 61.192 -1.162 25588 14602 1 18 . 1 1 138 138 TYR H H 138 8.420 8.420 9.045 -0.625 25588 14603 1 18 . 1 1 139 139 GLU N N 139 118.400 118.400 117.517 0.883 25588 14604 1 18 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.559 0.082 25588 14605 1 18 . 1 1 139 139 GLU C C 139 177.900 177.900 178.655 -0.755 25588 14606 1 18 . 1 1 139 139 GLU CA C 139 57.740 57.740 59.608 -1.868 25588 14607 1 18 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.759 -2.369 25588 14608 1 18 . 1 1 139 139 GLU H H 139 8.066 8.066 8.660 -0.594 25588 14609 1 18 . 1 1 140 140 GLU N N 140 119.900 119.900 119.628 0.272 25588 14610 1 18 . 1 1 140 140 GLU C C 140 176.700 176.700 178.631 -1.931 25588 14611 1 18 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.110 -2.210 25588 14612 1 18 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.747 -2.547 25588 14613 1 18 . 1 1 140 140 GLU H H 140 8.728 8.728 8.391 0.337 25588 14614 1 18 . 1 1 141 141 PHE N N 141 124.600 124.600 120.957 3.643 25588 14615 1 18 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.176 -0.192 25588 14616 1 18 . 1 1 141 141 PHE C C 141 174.200 174.200 177.370 -3.170 25588 14617 1 18 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.340 -2.381 25588 14618 1 18 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.439 -1.169 25588 14619 1 18 . 1 1 141 141 PHE H H 141 8.920 8.920 7.787 1.133 25588 14620 1 18 . 1 1 142 142 VAL N N 142 119.300 119.300 117.227 2.073 25588 14621 1 18 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.655 -0.534 25588 14622 1 18 . 1 1 142 142 VAL C C 142 176.900 176.900 177.520 -0.620 25588 14623 1 18 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.140 -1.710 25588 14624 1 18 . 1 1 142 142 VAL H H 142 8.536 8.536 7.250 1.286 25588 14625 1 18 . 1 1 143 143 GLN N N 143 118.200 118.200 116.907 1.293 25588 14626 1 18 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.036 -0.185 25588 14627 1 18 . 1 1 143 143 GLN C C 143 175.300 175.300 177.273 -1.973 25588 14628 1 18 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.745 -1.485 25588 14629 1 18 . 1 1 143 143 GLN H H 143 7.404 7.404 7.582 -0.178 25588 14630 1 18 . 1 1 144 144 MET N N 144 119.400 119.400 117.898 1.502 25588 14631 1 18 . 1 1 144 144 MET HA H 144 4.107 4.107 4.148 -0.041 25588 14632 1 18 . 1 1 144 144 MET C C 144 175.400 175.400 176.715 -1.315 25588 14633 1 18 . 1 1 144 144 MET CA C 144 55.500 55.500 58.142 -2.642 25588 14634 1 18 . 1 1 144 144 MET CB C 144 30.460 30.460 33.512 -3.052 25588 14635 1 18 . 1 1 144 144 MET H H 144 7.878 7.878 7.956 -0.078 25588 14636 1 18 . 1 1 145 145 MET N N 145 115.000 115.000 117.087 -2.087 25588 14637 1 18 . 1 1 145 145 MET HA H 145 4.281 4.281 4.625 -0.344 25588 14638 1 18 . 1 1 145 145 MET C C 145 174.900 174.900 174.451 0.449 25588 14639 1 18 . 1 1 145 145 MET CA C 145 52.740 52.740 55.175 -2.436 25588 14640 1 18 . 1 1 145 145 MET H H 145 7.852 7.852 7.459 0.393 25588 14641 1 18 . 1 1 146 146 THR N N 146 111.100 111.100 117.210 -6.110 25588 14642 1 18 . 1 1 146 146 THR HA H 146 4.306 4.306 4.503 -0.197 25588 14643 1 18 . 1 1 146 146 THR C C 146 171.600 171.600 174.005 -2.405 25588 14644 1 18 . 1 1 146 146 THR CA C 146 59.830 59.830 61.705 -1.875 25588 14645 1 18 . 1 1 146 146 THR CB C 146 67.510 67.510 69.413 -1.903 25588 14646 1 18 . 1 1 146 146 THR H H 146 7.571 7.571 8.171 -0.600 25588 14647 1 18 . 1 1 147 147 ALA N N 147 126.300 126.300 128.614 -2.314 25588 14648 1 18 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.102 0.198 25588 14649 1 18 . 1 1 147 147 ALA C C 147 174.000 174.000 177.256 -3.256 25588 14650 1 18 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.303 -4.113 25588 14651 1 18 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.460 -2.980 25588 14652 1 18 . 1 1 147 147 ALA H H 147 7.723 7.723 8.481 -0.758 25588 14653 1 19 . 1 1 2 2 ASP N N 2 118.400 118.400 121.612 -3.212 25588 14654 1 19 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.749 -0.135 25588 14655 1 19 . 1 1 2 2 ASP C C 2 173.000 173.000 176.342 -3.342 25588 14656 1 19 . 1 1 2 2 ASP CA C 2 52.020 52.020 53.871 -1.851 25588 14657 1 19 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.626 -2.806 25588 14658 1 19 . 1 1 2 2 ASP H H 2 8.311 8.311 8.334 -0.023 25588 14659 1 19 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.138 0.216 25588 14660 1 19 . 1 1 3 3 GLN C C 3 173.000 173.000 176.033 -3.033 25588 14661 1 19 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.725 -3.815 25588 14662 1 19 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.447 -2.296 25588 14663 1 19 . 1 1 3 3 GLN H H 3 8.321 8.321 8.632 -0.311 25588 14664 1 19 . 1 1 4 4 LEU N N 4 123.200 123.200 120.936 2.264 25588 14665 1 19 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.868 -0.218 25588 14666 1 19 . 1 1 4 4 LEU C C 4 175.100 175.100 175.817 -0.717 25588 14667 1 19 . 1 1 4 4 LEU CA C 4 51.790 51.790 53.879 -2.089 25588 14668 1 19 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.802 -2.942 25588 14669 1 19 . 1 1 4 4 LEU H H 4 8.268 8.268 8.148 0.120 25588 14670 1 19 . 1 1 5 5 THR N N 5 113.000 113.000 115.280 -2.280 25588 14671 1 19 . 1 1 5 5 THR HA H 5 4.754 4.754 4.660 0.094 25588 14672 1 19 . 1 1 5 5 THR C C 5 172.800 172.800 174.988 -2.188 25588 14673 1 19 . 1 1 5 5 THR CA C 5 57.880 57.880 59.799 -1.919 25588 14674 1 19 . 1 1 5 5 THR CB C 5 68.480 68.480 72.038 -3.558 25588 14675 1 19 . 1 1 5 5 THR H H 5 8.682 8.682 8.195 0.487 25588 14676 1 19 . 1 1 6 6 GLU N N 6 120.500 120.500 122.452 -1.952 25588 14677 1 19 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.004 -0.041 25588 14678 1 19 . 1 1 6 6 GLU C C 6 176.800 176.800 178.286 -1.486 25588 14679 1 19 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.583 -2.153 25588 14680 1 19 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.652 -3.132 25588 14681 1 19 . 1 1 6 6 GLU H H 6 8.990 8.990 9.026 -0.036 25588 14682 1 19 . 1 1 7 7 GLU N N 7 119.600 119.600 118.871 0.729 25588 14683 1 19 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.032 0.037 25588 14684 1 19 . 1 1 7 7 GLU C C 7 176.500 176.500 179.093 -2.593 25588 14685 1 19 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.497 -2.117 25588 14686 1 19 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.319 -2.889 25588 14687 1 19 . 1 1 7 7 GLU H H 7 8.668 8.668 8.625 0.043 25588 14688 1 19 . 1 1 8 8 GLN N N 8 120.100 120.100 118.474 1.626 25588 14689 1 19 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.140 -0.271 25588 14690 1 19 . 1 1 8 8 GLN C C 8 175.700 175.700 178.898 -3.198 25588 14691 1 19 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.655 -2.705 25588 14692 1 19 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.909 -2.099 25588 14693 1 19 . 1 1 8 8 GLN H H 8 7.721 7.721 7.518 0.203 25588 14694 1 19 . 1 1 9 9 ILE N N 9 119.600 119.600 119.914 -0.314 25588 14695 1 19 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.810 -0.098 25588 14696 1 19 . 1 1 9 9 ILE C C 9 175.100 175.100 177.931 -2.831 25588 14697 1 19 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.795 -1.265 25588 14698 1 19 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.873 -2.793 25588 14699 1 19 . 1 1 9 9 ILE H H 9 8.373 8.373 7.407 0.966 25588 14700 1 19 . 1 1 10 10 ALA N N 10 121.300 121.300 122.332 -1.032 25588 14701 1 19 . 1 1 10 10 ALA C C 10 178.400 178.400 179.318 -0.918 25588 14702 1 19 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.454 -2.664 25588 14703 1 19 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.988 -2.628 25588 14704 1 19 . 1 1 10 10 ALA H H 10 7.984 7.984 8.386 -0.402 25588 14705 1 19 . 1 1 11 11 GLU N N 11 119.500 119.500 119.029 0.471 25588 14706 1 19 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.875 0.272 25588 14707 1 19 . 1 1 11 11 GLU C C 11 177.900 177.900 179.020 -1.120 25588 14708 1 19 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.266 -2.596 25588 14709 1 19 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.241 -2.741 25588 14710 1 19 . 1 1 11 11 GLU H H 11 7.779 7.779 7.891 -0.112 25588 14711 1 19 . 1 1 12 12 PHE N N 12 120.200 120.200 118.133 2.067 25588 14712 1 19 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.254 0.766 25588 14713 1 19 . 1 1 12 12 PHE C C 12 176.100 176.100 178.052 -1.952 25588 14714 1 19 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.298 -4.688 25588 14715 1 19 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.794 -3.514 25588 14716 1 19 . 1 1 12 12 PHE H H 12 8.562 8.562 7.899 0.663 25588 14717 1 19 . 1 1 13 13 LYS N N 13 123.500 123.500 119.541 3.959 25588 14718 1 19 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.062 -0.073 25588 14719 1 19 . 1 1 13 13 LYS C C 13 176.700 176.700 179.119 -2.419 25588 14720 1 19 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.677 -2.157 25588 14721 1 19 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.385 -3.075 25588 14722 1 19 . 1 1 13 13 LYS H H 13 9.161 9.161 7.503 1.658 25588 14723 1 19 . 1 1 14 14 GLU N N 14 120.400 120.400 118.523 1.877 25588 14724 1 19 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.162 -0.037 25588 14725 1 19 . 1 1 14 14 GLU C C 14 176.800 176.800 179.118 -2.318 25588 14726 1 19 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.834 -2.104 25588 14727 1 19 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.512 -2.912 25588 14728 1 19 . 1 1 14 14 GLU H H 14 7.786 7.786 8.348 -0.562 25588 14729 1 19 . 1 1 15 15 ALA N N 15 122.600 122.600 121.930 0.670 25588 14730 1 19 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.994 0.289 25588 14731 1 19 . 1 1 15 15 ALA C C 15 176.400 176.400 179.154 -2.754 25588 14732 1 19 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.816 -2.225 25588 14733 1 19 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.107 -2.567 25588 14734 1 19 . 1 1 15 15 ALA H H 15 7.981 7.981 8.421 -0.440 25588 14735 1 19 . 1 1 16 16 PHE N N 16 119.400 119.400 118.290 1.110 25588 14736 1 19 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.450 -1.244 25588 14737 1 19 . 1 1 16 16 PHE C C 16 174.600 174.600 177.126 -2.526 25588 14738 1 19 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.395 -2.035 25588 14739 1 19 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.272 -2.232 25588 14740 1 19 . 1 1 16 16 PHE H H 16 8.796 8.796 7.544 1.252 25588 14741 1 19 . 1 1 17 17 SER N N 17 112.600 112.600 114.154 -1.554 25588 14742 1 19 . 1 1 17 17 SER HA H 17 4.028 4.028 4.244 -0.216 25588 14743 1 19 . 1 1 17 17 SER C C 17 172.400 172.400 175.780 -3.380 25588 14744 1 19 . 1 1 17 17 SER CA C 17 58.820 58.820 60.636 -1.815 25588 14745 1 19 . 1 1 17 17 SER CB C 17 60.680 60.680 63.774 -3.094 25588 14746 1 19 . 1 1 17 17 SER H H 17 7.898 7.898 7.865 0.033 25588 14747 1 19 . 1 1 18 18 LEU N N 18 121.000 121.000 124.181 -3.181 25588 14748 1 19 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.931 0.064 25588 14749 1 19 . 1 1 18 18 LEU C C 18 175.300 175.300 177.933 -2.633 25588 14750 1 19 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.807 -3.317 25588 14751 1 19 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.396 -2.526 25588 14752 1 19 . 1 1 18 18 LEU H H 18 7.426 7.426 7.219 0.207 25588 14753 1 19 . 1 1 19 19 PHE N N 19 115.200 115.200 115.498 -0.298 25588 14754 1 19 . 1 1 19 19 PHE C C 19 174.100 174.100 178.110 -4.010 25588 14755 1 19 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.669 -5.029 25588 14756 1 19 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.400 -0.150 25588 14757 1 19 . 1 1 19 19 PHE H H 19 7.309 7.309 7.515 -0.206 25588 14758 1 19 . 1 1 20 20 ASP N N 20 117.700 117.700 118.588 -0.888 25588 14759 1 19 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.535 0.005 25588 14760 1 19 . 1 1 20 20 ASP C C 20 174.500 174.500 178.159 -3.659 25588 14761 1 19 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.684 -4.964 25588 14762 1 19 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.837 -4.637 25588 14763 1 19 . 1 1 20 20 ASP H H 20 7.814 7.814 7.813 0.001 25588 14764 1 19 . 1 1 21 21 LYS N N 21 124.400 124.400 119.186 5.214 25588 14765 1 19 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.896 0.058 25588 14766 1 19 . 1 1 21 21 LYS C C 21 175.500 175.500 177.640 -2.140 25588 14767 1 19 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.018 -3.128 25588 14768 1 19 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.247 -2.187 25588 14769 1 19 . 1 1 21 21 LYS H H 21 7.652 7.652 7.782 -0.130 25588 14770 1 19 . 1 1 22 22 ASP N N 22 113.900 113.900 116.904 -3.004 25588 14771 1 19 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.382 0.203 25588 14772 1 19 . 1 1 22 22 ASP C C 22 175.000 175.000 177.096 -2.096 25588 14773 1 19 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.659 -5.529 25588 14774 1 19 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.929 -4.019 25588 14775 1 19 . 1 1 22 22 ASP H H 22 8.056 8.056 7.728 0.328 25588 14776 1 19 . 1 1 23 23 GLY N N 23 109.200 109.200 108.894 0.306 25588 14777 1 19 . 1 1 23 23 GLY C C 23 172.300 172.300 173.707 -1.407 25588 14778 1 19 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.485 0.105 25588 14779 1 19 . 1 1 23 23 GLY H H 23 7.660 7.660 7.657 0.003 25588 14780 1 19 . 1 1 24 24 ASP N N 24 118.600 118.600 118.163 0.437 25588 14781 1 19 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.528 0.089 25588 14782 1 19 . 1 1 24 24 ASP C C 24 174.200 174.200 175.708 -1.508 25588 14783 1 19 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.302 -5.332 25588 14784 1 19 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.006 -5.916 25588 14785 1 19 . 1 1 24 24 ASP H H 24 8.052 8.052 8.399 -0.347 25588 14786 1 19 . 1 1 25 25 GLY N N 25 113.400 113.400 107.654 5.746 25588 14787 1 19 . 1 1 25 25 GLY C C 25 170.600 170.600 173.191 -2.591 25588 14788 1 19 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.868 -1.708 25588 14789 1 19 . 1 1 25 25 GLY H H 25 10.570 10.570 7.957 2.613 25588 14790 1 19 . 1 1 26 26 THR N N 26 109.100 109.100 117.345 -8.245 25588 14791 1 19 . 1 1 26 26 THR HA H 26 5.271 5.271 4.423 0.848 25588 14792 1 19 . 1 1 26 26 THR C C 26 170.200 170.200 172.686 -2.486 25588 14793 1 19 . 1 1 26 26 THR CA C 26 57.170 57.170 62.112 -4.942 25588 14794 1 19 . 1 1 26 26 THR CB C 26 69.920 69.920 72.558 -2.638 25588 14795 1 19 . 1 1 26 26 THR H H 26 7.661 7.661 8.127 -0.466 25588 14796 1 19 . 1 1 27 27 ILE N N 27 127.100 127.100 126.431 0.669 25588 14797 1 19 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.681 0.290 25588 14798 1 19 . 1 1 27 27 ILE C C 27 173.400 173.400 174.861 -1.461 25588 14799 1 19 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.082 -2.262 25588 14800 1 19 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.092 -2.372 25588 14801 1 19 . 1 1 27 27 ILE H H 27 9.766 9.766 8.216 1.550 25588 14802 1 19 . 1 1 28 28 THR N N 28 116.500 116.500 117.174 -0.674 25588 14803 1 19 . 1 1 28 28 THR HA H 28 4.802 4.802 4.999 -0.197 25588 14804 1 19 . 1 1 28 28 THR C C 28 173.900 173.900 176.067 -2.167 25588 14805 1 19 . 1 1 28 28 THR CA C 28 56.980 56.980 59.469 -2.490 25588 14806 1 19 . 1 1 28 28 THR CB C 28 69.730 69.730 72.155 -2.425 25588 14807 1 19 . 1 1 28 28 THR H H 28 8.458 8.458 8.306 0.152 25588 14808 1 19 . 1 1 29 29 THR N N 29 112.900 112.900 113.142 -0.242 25588 14809 1 19 . 1 1 29 29 THR HA H 29 4.169 4.169 4.014 0.155 25588 14810 1 19 . 1 1 29 29 THR C C 29 174.500 174.500 176.634 -2.134 25588 14811 1 19 . 1 1 29 29 THR CA C 29 63.940 63.940 66.547 -2.607 25588 14812 1 19 . 1 1 29 29 THR CB C 29 65.170 65.170 68.656 -3.486 25588 14813 1 19 . 1 1 29 29 THR H H 29 9.066 9.066 8.668 0.398 25588 14814 1 19 . 1 1 30 30 LYS N N 30 120.800 120.800 121.490 -0.690 25588 14815 1 19 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.968 0.143 25588 14816 1 19 . 1 1 30 30 LYS C C 30 177.200 177.200 179.022 -1.822 25588 14817 1 19 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.364 -2.834 25588 14818 1 19 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.215 -2.255 25588 14819 1 19 . 1 1 30 30 LYS H H 30 7.664 7.664 7.744 -0.080 25588 14820 1 19 . 1 1 31 31 GLU N N 31 121.400 121.400 118.950 2.450 25588 14821 1 19 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.007 0.058 25588 14822 1 19 . 1 1 31 31 GLU C C 31 176.500 176.500 179.060 -2.560 25588 14823 1 19 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.916 -2.336 25588 14824 1 19 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.764 -2.604 25588 14825 1 19 . 1 1 31 31 GLU H H 31 7.635 7.635 7.426 0.209 25588 14826 1 19 . 1 1 32 32 LEU N N 32 120.600 120.600 121.135 -0.535 25588 14827 1 19 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.306 -0.224 25588 14828 1 19 . 1 1 32 32 LEU C C 32 176.300 176.300 178.790 -2.490 25588 14829 1 19 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.255 -1.845 25588 14830 1 19 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.885 -1.915 25588 14831 1 19 . 1 1 32 32 LEU H H 32 8.699 8.699 7.576 1.123 25588 14832 1 19 . 1 1 33 33 GLY N N 33 105.600 105.600 104.530 1.070 25588 14833 1 19 . 1 1 33 33 GLY C C 33 172.500 172.500 176.168 -3.668 25588 14834 1 19 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.495 -1.775 25588 14835 1 19 . 1 1 33 33 GLY H H 33 8.616 8.616 8.762 -0.146 25588 14836 1 19 . 1 1 34 34 THR N N 34 118.000 118.000 119.356 -1.356 25588 14837 1 19 . 1 1 34 34 THR HA H 34 3.913 3.913 3.949 -0.036 25588 14838 1 19 . 1 1 34 34 THR C C 34 174.500 174.500 176.320 -1.820 25588 14839 1 19 . 1 1 34 34 THR CA C 34 64.250 64.250 66.615 -2.365 25588 14840 1 19 . 1 1 34 34 THR CB C 34 66.100 66.100 68.668 -2.568 25588 14841 1 19 . 1 1 34 34 THR H H 34 7.867 7.867 7.459 0.408 25588 14842 1 19 . 1 1 35 35 VAL N N 35 122.100 122.100 121.372 0.728 25588 14843 1 19 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.623 -0.165 25588 14844 1 19 . 1 1 35 35 VAL C C 35 176.500 176.500 176.988 -0.488 25588 14845 1 19 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.761 -2.131 25588 14846 1 19 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.895 -2.775 25588 14847 1 19 . 1 1 35 35 VAL H H 35 7.613 7.613 7.755 -0.142 25588 14848 1 19 . 1 1 36 36 MET N N 36 118.400 118.400 117.465 0.935 25588 14849 1 19 . 1 1 36 36 MET HA H 36 4.095 4.095 4.038 0.057 25588 14850 1 19 . 1 1 36 36 MET C C 36 176.500 176.500 178.032 -1.532 25588 14851 1 19 . 1 1 36 36 MET CA C 36 56.420 56.420 57.740 -1.320 25588 14852 1 19 . 1 1 36 36 MET H H 36 8.440 8.440 7.404 1.036 25588 14853 1 19 . 1 1 37 37 ARG N N 37 119.000 119.000 118.430 0.570 25588 14854 1 19 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.059 0.742 25588 14855 1 19 . 1 1 37 37 ARG C C 37 178.500 178.500 179.114 -0.614 25588 14856 1 19 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.350 -2.930 25588 14857 1 19 . 1 1 37 37 ARG H H 37 8.474 8.474 8.119 0.355 25588 14858 1 19 . 1 1 38 38 SER N N 38 118.800 118.800 115.834 2.966 25588 14859 1 19 . 1 1 38 38 SER HA H 38 4.380 4.380 4.224 0.156 25588 14860 1 19 . 1 1 38 38 SER C C 38 172.200 172.200 175.982 -3.782 25588 14861 1 19 . 1 1 38 38 SER CA C 38 58.930 58.930 61.062 -2.132 25588 14862 1 19 . 1 1 38 38 SER CB C 38 60.200 60.200 62.839 -2.639 25588 14863 1 19 . 1 1 38 38 SER H H 38 7.899 7.899 8.130 -0.231 25588 14864 1 19 . 1 1 39 39 LEU N N 39 120.600 120.600 119.760 0.840 25588 14865 1 19 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.438 0.057 25588 14866 1 19 . 1 1 39 39 LEU C C 39 174.800 174.800 176.672 -1.872 25588 14867 1 19 . 1 1 39 39 LEU CA C 39 51.930 51.930 53.983 -2.053 25588 14868 1 19 . 1 1 39 39 LEU H H 39 7.364 7.364 7.320 0.044 25588 14869 1 19 . 1 1 40 40 GLY N N 40 106.800 106.800 108.477 -1.677 25588 14870 1 19 . 1 1 40 40 GLY C C 40 171.700 171.700 174.112 -2.412 25588 14871 1 19 . 1 1 40 40 GLY CA C 40 42.970 42.970 45.679 -2.709 25588 14872 1 19 . 1 1 40 40 GLY H H 40 7.862 7.862 7.788 0.074 25588 14873 1 19 . 1 1 41 41 GLN N N 41 118.400 118.400 120.901 -2.501 25588 14874 1 19 . 1 1 41 41 GLN HA H 41 4.480 4.480 3.787 0.693 25588 14875 1 19 . 1 1 41 41 GLN C C 41 171.400 171.400 174.000 -2.600 25588 14876 1 19 . 1 1 41 41 GLN CA C 41 51.890 51.890 56.550 -4.660 25588 14877 1 19 . 1 1 41 41 GLN CB C 41 28.080 28.080 28.120 -0.040 25588 14878 1 19 . 1 1 41 41 GLN H H 41 7.788 7.788 8.444 -0.656 25588 14879 1 19 . 1 1 42 42 ASN N N 42 116.300 116.300 120.247 -3.947 25588 14880 1 19 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.288 -0.095 25588 14881 1 19 . 1 1 42 42 ASN CA C 42 48.620 48.620 50.017 -1.397 25588 14882 1 19 . 1 1 42 42 ASN H H 42 8.665 8.665 8.625 0.040 25588 14883 1 19 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.072 0.663 25588 14884 1 19 . 1 1 43 43 PRO C C 43 175.100 175.100 178.509 -3.409 25588 14885 1 19 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.818 -6.038 25588 14886 1 19 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.579 -2.189 25588 14887 1 19 . 1 1 44 44 THR N N 44 112.900 112.900 112.999 -0.099 25588 14888 1 19 . 1 1 44 44 THR HA H 44 4.707 4.707 3.961 0.746 25588 14889 1 19 . 1 1 44 44 THR C C 44 172.600 172.600 176.773 -4.173 25588 14890 1 19 . 1 1 44 44 THR CA C 44 57.830 57.830 66.610 -8.780 25588 14891 1 19 . 1 1 44 44 THR CB C 44 68.490 68.490 68.358 0.133 25588 14892 1 19 . 1 1 44 44 THR H H 44 8.702 8.702 7.979 0.723 25588 14893 1 19 . 1 1 45 45 GLU N N 45 120.800 120.800 120.041 0.759 25588 14894 1 19 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.325 -0.350 25588 14895 1 19 . 1 1 45 45 GLU C C 45 176.300 176.300 178.331 -2.031 25588 14896 1 19 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.050 -0.591 25588 14897 1 19 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.640 -3.220 25588 14898 1 19 . 1 1 45 45 GLU H H 45 8.789 8.789 8.532 0.257 25588 14899 1 19 . 1 1 46 46 ALA N N 46 120.700 120.700 123.799 -3.099 25588 14900 1 19 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.074 0.015 25588 14901 1 19 . 1 1 46 46 ALA C C 46 177.700 177.700 179.630 -1.930 25588 14902 1 19 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.277 -2.867 25588 14903 1 19 . 1 1 46 46 ALA CB C 46 15.650 15.650 18.016 -2.366 25588 14904 1 19 . 1 1 46 46 ALA H H 46 8.241 8.241 8.254 -0.013 25588 14905 1 19 . 1 1 47 47 GLU N N 47 118.900 118.900 117.722 1.178 25588 14906 1 19 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.185 -0.183 25588 14907 1 19 . 1 1 47 47 GLU C C 47 177.500 177.500 179.402 -1.902 25588 14908 1 19 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.564 -2.154 25588 14909 1 19 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.756 -2.696 25588 14910 1 19 . 1 1 47 47 GLU H H 47 7.682 7.682 7.841 -0.159 25588 14911 1 19 . 1 1 48 48 LEU N N 48 120.600 120.600 120.569 0.031 25588 14912 1 19 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.070 -0.009 25588 14913 1 19 . 1 1 48 48 LEU C C 48 175.900 175.900 178.578 -2.678 25588 14914 1 19 . 1 1 48 48 LEU CA C 48 55.270 55.270 56.882 -1.612 25588 14915 1 19 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.613 -1.873 25588 14916 1 19 . 1 1 48 48 LEU H H 48 8.169 8.169 7.456 0.713 25588 14917 1 19 . 1 1 49 49 GLN N N 49 118.200 118.200 119.724 -1.524 25588 14918 1 19 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.874 -0.047 25588 14919 1 19 . 1 1 49 49 GLN C C 49 175.900 175.900 178.128 -2.228 25588 14920 1 19 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.055 -3.085 25588 14921 1 19 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.908 -2.388 25588 14922 1 19 . 1 1 49 49 GLN H H 49 8.179 8.179 8.416 -0.237 25588 14923 1 19 . 1 1 50 50 ASP N N 50 119.900 119.900 118.538 1.362 25588 14924 1 19 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.505 -0.122 25588 14925 1 19 . 1 1 50 50 ASP C C 50 175.900 175.900 177.977 -2.077 25588 14926 1 19 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.426 -1.476 25588 14927 1 19 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.923 -3.134 25588 14928 1 19 . 1 1 50 50 ASP H H 50 8.037 8.037 7.582 0.455 25588 14929 1 19 . 1 1 51 51 MET N N 51 119.300 119.300 120.918 -1.618 25588 14930 1 19 . 1 1 51 51 MET HA H 51 4.028 4.028 4.092 -0.064 25588 14931 1 19 . 1 1 51 51 MET C C 51 176.200 176.200 178.038 -1.838 25588 14932 1 19 . 1 1 51 51 MET CA C 51 56.710 56.710 59.064 -2.354 25588 14933 1 19 . 1 1 51 51 MET CB C 51 30.570 30.570 32.639 -2.069 25588 14934 1 19 . 1 1 51 51 MET H H 51 7.855 7.855 7.319 0.536 25588 14935 1 19 . 1 1 52 52 ILE N N 52 118.200 118.200 118.981 -0.781 25588 14936 1 19 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.529 -0.040 25588 14937 1 19 . 1 1 52 52 ILE C C 52 175.100 175.100 177.712 -2.612 25588 14938 1 19 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.578 -3.358 25588 14939 1 19 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.698 1.632 25588 14940 1 19 . 1 1 52 52 ILE H H 52 7.701 7.701 8.671 -0.970 25588 14941 1 19 . 1 1 53 53 ASN N N 53 117.700 117.700 117.771 -0.071 25588 14942 1 19 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.346 0.015 25588 14943 1 19 . 1 1 53 53 ASN C C 53 174.800 174.800 177.477 -2.677 25588 14944 1 19 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.816 -3.526 25588 14945 1 19 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.093 -2.654 25588 14946 1 19 . 1 1 53 53 ASN H H 53 8.529 8.529 7.830 0.699 25588 14947 1 19 . 1 1 54 54 GLU N N 54 116.400 116.400 120.058 -3.658 25588 14948 1 19 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.970 0.051 25588 14949 1 19 . 1 1 54 54 GLU C C 54 175.000 175.000 177.842 -2.842 25588 14950 1 19 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.296 -3.056 25588 14951 1 19 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.822 -1.992 25588 14952 1 19 . 1 1 54 54 GLU H H 54 7.573 7.573 7.768 -0.195 25588 14953 1 19 . 1 1 55 55 VAL N N 55 108.400 108.400 117.049 -8.649 25588 14954 1 19 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.904 0.542 25588 14955 1 19 . 1 1 55 55 VAL C C 55 173.100 173.100 177.844 -4.744 25588 14956 1 19 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.211 -7.121 25588 14957 1 19 . 1 1 55 55 VAL H H 55 7.204 7.204 7.531 -0.327 25588 14958 1 19 . 1 1 56 56 ASP N N 56 126.900 126.900 120.610 6.290 25588 14959 1 19 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.548 0.090 25588 14960 1 19 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.525 -4.475 25588 14961 1 19 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.593 -3.113 25588 14962 1 19 . 1 1 56 56 ASP H H 56 7.649 7.649 8.638 -0.989 25588 14963 1 19 . 1 1 57 57 ALA N N 57 131.900 131.900 120.693 11.207 25588 14964 1 19 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.212 -0.030 25588 14965 1 19 . 1 1 57 57 ALA C C 57 176.000 176.000 178.115 -2.115 25588 14966 1 19 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.203 -1.513 25588 14967 1 19 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.098 -1.198 25588 14968 1 19 . 1 1 57 57 ALA H H 57 8.458 8.458 7.701 0.757 25588 14969 1 19 . 1 1 58 58 ASP N N 58 113.800 113.800 118.261 -4.461 25588 14970 1 19 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.403 0.208 25588 14971 1 19 . 1 1 58 58 ASP C C 58 175.200 175.200 177.040 -1.840 25588 14972 1 19 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.681 -5.641 25588 14973 1 19 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.824 -3.624 25588 14974 1 19 . 1 1 58 58 ASP H H 58 8.125 8.125 7.575 0.550 25588 14975 1 19 . 1 1 59 59 GLY N N 59 108.400 108.400 106.846 1.554 25588 14976 1 19 . 1 1 59 59 GLY C C 59 172.500 172.500 173.322 -0.822 25588 14977 1 19 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.234 -0.574 25588 14978 1 19 . 1 1 59 59 GLY H H 59 7.550 7.550 7.838 -0.288 25588 14979 1 19 . 1 1 60 60 ASN N N 60 120.600 120.600 116.876 3.724 25588 14980 1 19 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.725 -0.238 25588 14981 1 19 . 1 1 60 60 ASN C C 60 174.800 174.800 174.762 0.038 25588 14982 1 19 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.682 -1.502 25588 14983 1 19 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.261 -1.421 25588 14984 1 19 . 1 1 60 60 ASN H H 60 8.356 8.356 8.043 0.313 25588 14985 1 19 . 1 1 61 61 GLY N N 61 113.300 113.300 106.775 6.525 25588 14986 1 19 . 1 1 61 61 GLY C C 61 171.100 171.100 173.728 -2.628 25588 14987 1 19 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.863 -3.033 25588 14988 1 19 . 1 1 61 61 GLY H H 61 10.610 10.610 8.747 1.863 25588 14989 1 19 . 1 1 62 62 THR N N 62 112.900 112.900 111.655 1.245 25588 14990 1 19 . 1 1 62 62 THR HA H 62 4.756 4.756 4.975 -0.219 25588 14991 1 19 . 1 1 62 62 THR C C 62 170.500 170.500 173.209 -2.709 25588 14992 1 19 . 1 1 62 62 THR CA C 62 57.050 57.050 59.755 -2.705 25588 14993 1 19 . 1 1 62 62 THR CB C 62 69.100 69.100 72.204 -3.104 25588 14994 1 19 . 1 1 62 62 THR H H 62 8.111 8.111 7.809 0.302 25588 14995 1 19 . 1 1 63 63 ILE N N 63 123.900 123.900 123.136 0.764 25588 14996 1 19 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.286 0.866 25588 14997 1 19 . 1 1 63 63 ILE C C 63 172.900 172.900 174.183 -1.283 25588 14998 1 19 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.404 -3.044 25588 14999 1 19 . 1 1 63 63 ILE CB C 63 36.860 36.860 42.068 -5.208 25588 15000 1 19 . 1 1 63 63 ILE H H 63 8.905 8.905 8.964 -0.059 25588 15001 1 19 . 1 1 64 64 ASP N N 64 128.200 128.200 126.284 1.916 25588 15002 1 19 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.781 0.561 25588 15003 1 19 . 1 1 64 64 ASP C C 64 173.700 173.700 177.004 -3.304 25588 15004 1 19 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.044 -4.574 25588 15005 1 19 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.691 -2.041 25588 15006 1 19 . 1 1 64 64 ASP H H 64 8.778 8.778 8.670 0.108 25588 15007 1 19 . 1 1 65 65 PHE N N 65 118.700 118.700 120.524 -1.824 25588 15008 1 19 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.643 -2.623 25588 15009 1 19 . 1 1 65 65 PHE H H 65 8.903 8.903 8.962 -0.059 25588 15010 1 19 . 1 1 66 66 PRO C C 66 177.400 177.400 179.014 -1.614 25588 15011 1 19 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.327 -2.367 25588 15012 1 19 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.375 -3.314 25588 15013 1 19 . 1 1 67 67 GLU N N 67 117.600 117.600 117.335 0.265 25588 15014 1 19 . 1 1 67 67 GLU C C 67 176.100 176.100 178.769 -2.669 25588 15015 1 19 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.785 -2.715 25588 15016 1 19 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.321 -2.571 25588 15017 1 19 . 1 1 67 67 GLU H H 67 7.894 7.894 8.613 -0.719 25588 15018 1 19 . 1 1 68 68 PHE N N 68 123.500 123.500 122.679 0.821 25588 15019 1 19 . 1 1 68 68 PHE C C 68 174.400 174.400 176.781 -2.381 25588 15020 1 19 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.829 -3.219 25588 15021 1 19 . 1 1 68 68 PHE CB C 68 37.520 37.520 39.008 -1.488 25588 15022 1 19 . 1 1 68 68 PHE H H 68 8.826 8.826 8.318 0.508 25588 15023 1 19 . 1 1 69 69 LEU N N 69 119.000 119.000 118.454 0.546 25588 15024 1 19 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.877 -0.543 25588 15025 1 19 . 1 1 69 69 LEU C C 69 176.600 176.600 179.121 -2.521 25588 15026 1 19 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.231 -2.881 25588 15027 1 19 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.604 -3.424 25588 15028 1 19 . 1 1 69 69 LEU H H 69 8.321 8.321 8.414 -0.093 25588 15029 1 19 . 1 1 70 70 THR N N 70 115.500 115.500 115.345 0.155 25588 15030 1 19 . 1 1 70 70 THR HA H 70 4.317 4.317 3.916 0.401 25588 15031 1 19 . 1 1 70 70 THR C C 70 173.400 173.400 176.273 -2.873 25588 15032 1 19 . 1 1 70 70 THR CA C 70 63.720 63.720 66.726 -3.006 25588 15033 1 19 . 1 1 70 70 THR CB C 70 65.630 65.630 68.522 -2.892 25588 15034 1 19 . 1 1 70 70 THR H H 70 7.476 7.476 7.526 -0.050 25588 15035 1 19 . 1 1 71 71 MET N N 71 121.700 121.700 121.614 0.086 25588 15036 1 19 . 1 1 71 71 MET HA H 71 3.758 3.758 3.955 -0.197 25588 15037 1 19 . 1 1 71 71 MET C C 71 175.600 175.600 177.719 -2.119 25588 15038 1 19 . 1 1 71 71 MET CA C 71 56.370 56.370 59.316 -2.946 25588 15039 1 19 . 1 1 71 71 MET CB C 71 30.590 30.590 32.513 -1.923 25588 15040 1 19 . 1 1 71 71 MET H H 71 7.774 7.774 8.451 -0.677 25588 15041 1 19 . 1 1 72 72 MET N N 72 116.900 116.900 117.326 -0.426 25588 15042 1 19 . 1 1 72 72 MET HA H 72 3.993 3.993 3.963 0.030 25588 15043 1 19 . 1 1 72 72 MET C C 72 175.900 175.900 178.468 -2.568 25588 15044 1 19 . 1 1 72 72 MET CA C 72 53.200 53.200 57.500 -4.300 25588 15045 1 19 . 1 1 72 72 MET CB C 72 28.520 28.520 31.004 -2.484 25588 15046 1 19 . 1 1 72 72 MET H H 72 8.082 8.082 8.007 0.075 25588 15047 1 19 . 1 1 73 73 ALA N N 73 122.300 122.300 122.822 -0.522 25588 15048 1 19 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.924 0.150 25588 15049 1 19 . 1 1 73 73 ALA C C 73 177.200 177.200 179.361 -2.161 25588 15050 1 19 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.055 -3.085 25588 15051 1 19 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.365 -2.625 25588 15052 1 19 . 1 1 73 73 ALA H H 73 8.149 8.149 8.039 0.110 25588 15053 1 19 . 1 1 74 74 ARG N N 74 116.600 116.600 116.914 -0.314 25588 15054 1 19 . 1 1 74 74 ARG C C 74 175.200 175.200 178.652 -3.452 25588 15055 1 19 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.866 -3.306 25588 15056 1 19 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.294 -2.644 25588 15057 1 19 . 1 1 74 74 ARG H H 74 7.564 7.564 7.853 -0.289 25588 15058 1 19 . 1 1 75 75 LYS N N 75 118.800 118.800 117.639 1.161 25588 15059 1 19 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.115 0.080 25588 15060 1 19 . 1 1 75 75 LYS C C 75 175.100 175.100 177.367 -2.267 25588 15061 1 19 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.874 -3.144 25588 15062 1 19 . 1 1 75 75 LYS H H 75 7.668 7.668 8.072 -0.404 25588 15063 1 19 . 1 1 76 76 MET N N 76 118.300 118.300 117.102 1.198 25588 15064 1 19 . 1 1 76 76 MET HA H 76 4.331 4.331 4.752 -0.421 25588 15065 1 19 . 1 1 76 76 MET C C 76 173.900 173.900 175.287 -1.387 25588 15066 1 19 . 1 1 76 76 MET CA C 76 54.010 54.010 53.289 0.720 25588 15067 1 19 . 1 1 76 76 MET H H 76 7.861 7.861 7.996 -0.135 25588 15068 1 19 . 1 1 77 77 LYS N N 77 120.200 120.200 119.984 0.216 25588 15069 1 19 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.483 -0.185 25588 15070 1 19 . 1 1 77 77 LYS C C 77 173.800 173.800 176.086 -2.286 25588 15071 1 19 . 1 1 77 77 LYS CA C 77 54.070 54.070 54.789 -0.719 25588 15072 1 19 . 1 1 77 77 LYS CB C 77 30.370 30.370 35.209 -4.839 25588 15073 1 19 . 1 1 77 77 LYS H H 77 7.797 7.797 8.096 -0.299 25588 15074 1 19 . 1 1 78 78 ASP N N 78 121.400 121.400 123.007 -1.607 25588 15075 1 19 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.453 0.220 25588 15076 1 19 . 1 1 78 78 ASP C C 78 173.900 173.900 177.228 -3.328 25588 15077 1 19 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.757 -2.857 25588 15078 1 19 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.372 -2.862 25588 15079 1 19 . 1 1 78 78 ASP H H 78 8.191 8.191 8.600 -0.409 25588 15080 1 19 . 1 1 79 79 THR N N 79 114.600 114.600 110.098 4.502 25588 15081 1 19 . 1 1 79 79 THR HA H 79 4.263 4.263 4.170 0.093 25588 15082 1 19 . 1 1 79 79 THR C C 79 171.900 171.900 175.967 -4.067 25588 15083 1 19 . 1 1 79 79 THR CA C 79 59.510 59.510 65.012 -5.502 25588 15084 1 19 . 1 1 79 79 THR CB C 79 67.090 67.090 68.786 -1.696 25588 15085 1 19 . 1 1 79 79 THR H H 79 8.063 8.063 8.304 -0.241 25588 15086 1 19 . 1 1 80 80 ASP N N 80 123.100 123.100 122.242 0.858 25588 15087 1 19 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.493 0.219 25588 15088 1 19 . 1 1 80 80 ASP C C 80 173.900 173.900 178.294 -4.394 25588 15089 1 19 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.361 -4.461 25588 15090 1 19 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.526 -0.856 25588 15091 1 19 . 1 1 80 80 ASP H H 80 8.423 8.423 8.752 -0.329 25588 15092 1 19 . 1 1 81 81 SER N N 81 116.900 116.900 116.933 -0.033 25588 15093 1 19 . 1 1 81 81 SER HA H 81 4.498 4.498 4.071 0.427 25588 15094 1 19 . 1 1 81 81 SER C C 81 172.700 172.700 175.757 -3.057 25588 15095 1 19 . 1 1 81 81 SER CA C 81 56.360 56.360 61.691 -5.332 25588 15096 1 19 . 1 1 81 81 SER CB C 81 61.310 61.310 63.114 -1.804 25588 15097 1 19 . 1 1 81 81 SER H H 81 8.357 8.357 7.687 0.670 25588 15098 1 19 . 1 1 82 82 GLU N N 82 122.800 122.800 121.169 1.631 25588 15099 1 19 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.808 0.320 25588 15100 1 19 . 1 1 82 82 GLU C C 82 175.300 175.300 177.896 -2.596 25588 15101 1 19 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.431 -3.160 25588 15102 1 19 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.518 -2.768 25588 15103 1 19 . 1 1 82 82 GLU H H 82 8.532 8.532 7.835 0.697 25588 15104 1 19 . 1 1 83 83 GLU N N 83 119.400 119.400 116.750 2.650 25588 15105 1 19 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.232 -0.198 25588 15106 1 19 . 1 1 83 83 GLU C C 83 176.000 176.000 179.779 -3.779 25588 15107 1 19 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.533 -1.463 25588 15108 1 19 . 1 1 83 83 GLU H H 83 8.365 8.365 7.992 0.373 25588 15109 1 19 . 1 1 84 84 GLU N N 84 118.700 118.700 120.932 -2.232 25588 15110 1 19 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.114 0.033 25588 15111 1 19 . 1 1 84 84 GLU C C 84 177.000 177.000 179.228 -2.228 25588 15112 1 19 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.913 -2.243 25588 15113 1 19 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.475 -2.675 25588 15114 1 19 . 1 1 84 84 GLU H H 84 8.073 8.073 7.776 0.297 25588 15115 1 19 . 1 1 85 85 ILE N N 85 122.200 122.200 118.997 3.203 25588 15116 1 19 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.690 0.304 25588 15117 1 19 . 1 1 85 85 ILE C C 85 175.300 175.300 177.463 -2.163 25588 15118 1 19 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.365 -2.235 25588 15119 1 19 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.621 -3.121 25588 15120 1 19 . 1 1 85 85 ILE H H 85 8.043 8.043 8.820 -0.777 25588 15121 1 19 . 1 1 86 86 ARG N N 86 121.700 121.700 119.876 1.824 25588 15122 1 19 . 1 1 86 86 ARG C C 86 176.700 176.700 178.941 -2.241 25588 15123 1 19 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.981 -2.621 25588 15124 1 19 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.976 -2.926 25588 15125 1 19 . 1 1 86 86 ARG H H 86 8.415 8.415 8.290 0.125 25588 15126 1 19 . 1 1 87 87 GLU N N 87 118.600 118.600 119.661 -1.061 25588 15127 1 19 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.195 -0.086 25588 15128 1 19 . 1 1 87 87 GLU C C 87 175.900 175.900 177.444 -1.544 25588 15129 1 19 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.830 -2.400 25588 15130 1 19 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.202 -2.652 25588 15131 1 19 . 1 1 87 87 GLU H H 87 8.056 8.056 7.975 0.081 25588 15132 1 19 . 1 1 88 88 ALA N N 88 122.000 122.000 120.366 1.634 25588 15133 1 19 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.300 -0.082 25588 15134 1 19 . 1 1 88 88 ALA C C 88 176.600 176.600 179.190 -2.590 25588 15135 1 19 . 1 1 88 88 ALA CA C 88 52.450 52.450 53.870 -1.419 25588 15136 1 19 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.008 -2.708 25588 15137 1 19 . 1 1 88 88 ALA H H 88 7.934 7.934 7.275 0.659 25588 15138 1 19 . 1 1 89 89 PHE N N 89 118.900 118.900 120.800 -1.900 25588 15139 1 19 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.266 -1.115 25588 15140 1 19 . 1 1 89 89 PHE C C 89 173.800 173.800 176.894 -3.094 25588 15141 1 19 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.367 -1.867 25588 15142 1 19 . 1 1 89 89 PHE CB C 89 36.370 36.370 39.081 -2.711 25588 15143 1 19 . 1 1 89 89 PHE H H 89 8.537 8.537 7.977 0.560 25588 15144 1 19 . 1 1 90 90 ARG N N 90 115.600 115.600 118.551 -2.951 25588 15145 1 19 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.846 0.018 25588 15146 1 19 . 1 1 90 90 ARG C C 90 175.500 175.500 178.035 -2.535 25588 15147 1 19 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.127 -3.017 25588 15148 1 19 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.031 -2.381 25588 15149 1 19 . 1 1 90 90 ARG H H 90 7.656 7.656 8.130 -0.474 25588 15150 1 19 . 1 1 91 91 VAL N N 91 118.300 118.300 118.546 -0.246 25588 15151 1 19 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.688 -0.201 25588 15152 1 19 . 1 1 91 91 VAL C C 91 174.700 174.700 177.803 -3.103 25588 15153 1 19 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.981 -2.970 25588 15154 1 19 . 1 1 91 91 VAL H H 91 7.496 7.496 7.422 0.074 25588 15155 1 19 . 1 1 92 92 PHE N N 92 116.300 116.300 118.247 -1.947 25588 15156 1 19 . 1 1 92 92 PHE C C 92 174.300 174.300 175.994 -1.694 25588 15157 1 19 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.335 -2.925 25588 15158 1 19 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.798 -2.178 25588 15159 1 19 . 1 1 92 92 PHE H H 92 7.460 7.460 8.174 -0.714 25588 15160 1 19 . 1 1 93 93 ASP N N 93 116.900 116.900 117.106 -0.206 25588 15161 1 19 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.723 -0.219 25588 15162 1 19 . 1 1 93 93 ASP C C 93 174.900 174.900 175.695 -0.795 25588 15163 1 19 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.602 -3.062 25588 15164 1 19 . 1 1 93 93 ASP H H 93 7.821 7.821 7.949 -0.128 25588 15165 1 19 . 1 1 94 94 LYS N N 94 125.900 125.900 124.608 1.292 25588 15166 1 19 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.100 -0.212 25588 15167 1 19 . 1 1 94 94 LYS C C 94 175.700 175.700 177.614 -1.914 25588 15168 1 19 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.686 -2.276 25588 15169 1 19 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.612 -2.442 25588 15170 1 19 . 1 1 94 94 LYS H H 94 7.689 7.689 8.489 -0.800 25588 15171 1 19 . 1 1 95 95 ASP N N 95 114.000 114.000 116.492 -2.492 25588 15172 1 19 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.421 0.133 25588 15173 1 19 . 1 1 95 95 ASP C C 95 175.100 175.100 178.174 -3.074 25588 15174 1 19 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.675 -5.355 25588 15175 1 19 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.750 -3.760 25588 15176 1 19 . 1 1 95 95 ASP H H 95 8.179 8.179 7.935 0.244 25588 15177 1 19 . 1 1 96 96 GLY N N 96 109.300 109.300 109.144 0.156 25588 15178 1 19 . 1 1 96 96 GLY C C 96 172.500 172.500 175.720 -3.220 25588 15179 1 19 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.740 -2.240 25588 15180 1 19 . 1 1 96 96 GLY H H 96 7.765 7.765 8.649 -0.884 25588 15181 1 19 . 1 1 97 97 ASN N N 97 119.600 119.600 123.150 -3.550 25588 15182 1 19 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.564 0.080 25588 15183 1 19 . 1 1 97 97 ASN C C 97 173.400 173.400 175.784 -2.384 25588 15184 1 19 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.349 -4.279 25588 15185 1 19 . 1 1 97 97 ASN CB C 97 35.520 35.520 39.011 -3.491 25588 15186 1 19 . 1 1 97 97 ASN H H 97 8.302 8.302 8.547 -0.245 25588 15187 1 19 . 1 1 98 98 GLY N N 98 113.000 113.000 106.289 6.711 25588 15188 1 19 . 1 1 98 98 GLY C C 98 169.800 169.800 172.449 -2.649 25588 15189 1 19 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.298 -1.788 25588 15190 1 19 . 1 1 98 98 GLY H H 98 10.620 10.620 7.969 2.651 25588 15191 1 19 . 1 1 99 99 TYR N N 99 115.900 115.900 117.974 -2.074 25588 15192 1 19 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.749 0.287 25588 15193 1 19 . 1 1 99 99 TYR C C 99 171.900 171.900 175.909 -4.009 25588 15194 1 19 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.482 -3.092 25588 15195 1 19 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.068 -0.538 25588 15196 1 19 . 1 1 99 99 TYR H H 99 7.597 7.597 7.898 -0.301 25588 15197 1 19 . 1 1 100 100 ILE N N 100 127.400 127.400 124.719 2.681 25588 15198 1 19 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.312 0.467 25588 15199 1 19 . 1 1 100 100 ILE C C 100 172.900 172.900 176.232 -3.332 25588 15200 1 19 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.395 -3.736 25588 15201 1 19 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.757 -2.807 25588 15202 1 19 . 1 1 100 100 ILE H H 100 10.120 10.120 8.396 1.724 25588 15203 1 19 . 1 1 101 101 SER N N 101 123.800 123.800 123.546 0.254 25588 15204 1 19 . 1 1 101 101 SER C C 101 172.600 172.600 175.570 -2.970 25588 15205 1 19 . 1 1 101 101 SER CA C 101 53.180 53.180 56.824 -3.643 25588 15206 1 19 . 1 1 101 101 SER CB C 101 63.970 63.970 64.346 -0.376 25588 15207 1 19 . 1 1 101 101 SER H H 101 8.944 8.944 8.472 0.472 25588 15208 1 19 . 1 1 102 102 ALA N N 102 122.900 122.900 123.955 -1.055 25588 15209 1 19 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.030 -0.116 25588 15210 1 19 . 1 1 102 102 ALA C C 102 176.700 176.700 178.825 -2.125 25588 15211 1 19 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.396 -2.096 25588 15212 1 19 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.266 -2.816 25588 15213 1 19 . 1 1 102 102 ALA H H 102 9.178 9.178 8.954 0.224 25588 15214 1 19 . 1 1 103 103 ALA N N 103 118.400 118.400 120.484 -2.084 25588 15215 1 19 . 1 1 103 103 ALA C C 103 178.700 178.700 179.649 -0.949 25588 15216 1 19 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.010 -2.460 25588 15217 1 19 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.271 -2.391 25588 15218 1 19 . 1 1 103 103 ALA H H 103 8.205 8.205 8.386 -0.181 25588 15219 1 19 . 1 1 104 104 GLU N N 104 119.700 119.700 118.208 1.492 25588 15220 1 19 . 1 1 104 104 GLU C C 104 176.600 176.600 178.864 -2.264 25588 15221 1 19 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.608 -1.968 25588 15222 1 19 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.637 -2.997 25588 15223 1 19 . 1 1 104 104 GLU H H 104 7.835 7.835 7.756 0.079 25588 15224 1 19 . 1 1 105 105 LEU N N 105 121.000 121.000 121.485 -0.485 25588 15225 1 19 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.087 0.012 25588 15226 1 19 . 1 1 105 105 LEU C C 105 175.800 175.800 178.089 -2.289 25588 15227 1 19 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.782 -2.122 25588 15228 1 19 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.967 -7.407 25588 15229 1 19 . 1 1 105 105 LEU H H 105 8.571 8.571 7.981 0.590 25588 15230 1 19 . 1 1 106 106 ARG N N 106 117.500 117.500 118.685 -1.185 25588 15231 1 19 . 1 1 106 106 ARG C C 106 176.000 176.000 177.743 -1.743 25588 15232 1 19 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.365 -3.135 25588 15233 1 19 . 1 1 106 106 ARG H H 106 8.522 8.522 8.068 0.454 25588 15234 1 19 . 1 1 107 107 HIS N N 107 119.000 119.000 117.202 1.798 25588 15235 1 19 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.338 -0.052 25588 15236 1 19 . 1 1 107 107 HIS C C 107 174.900 174.900 177.486 -2.586 25588 15237 1 19 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.955 -2.865 25588 15238 1 19 . 1 1 107 107 HIS H H 107 7.889 7.889 7.901 -0.012 25588 15239 1 19 . 1 1 108 108 VAL N N 108 118.900 118.900 119.657 -0.757 25588 15240 1 19 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.672 -0.187 25588 15241 1 19 . 1 1 108 108 VAL C C 108 175.400 175.400 178.114 -2.714 25588 15242 1 19 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.117 -2.597 25588 15243 1 19 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.543 -2.343 25588 15244 1 19 . 1 1 108 108 VAL H H 108 7.958 7.958 7.405 0.553 25588 15245 1 19 . 1 1 109 109 MET N N 109 116.400 116.400 117.985 -1.585 25588 15246 1 19 . 1 1 109 109 MET HA H 109 4.331 4.331 4.183 0.148 25588 15247 1 19 . 1 1 109 109 MET C C 109 176.000 176.000 178.809 -2.809 25588 15248 1 19 . 1 1 109 109 MET CA C 109 54.910 54.910 57.737 -2.827 25588 15249 1 19 . 1 1 109 109 MET CB C 109 28.750 28.750 31.257 -2.507 25588 15250 1 19 . 1 1 109 109 MET H H 109 8.247 8.247 8.351 -0.104 25588 15251 1 19 . 1 1 110 110 THR N N 110 114.900 114.900 115.596 -0.696 25588 15252 1 19 . 1 1 110 110 THR HA H 110 4.152 4.152 3.881 0.271 25588 15253 1 19 . 1 1 110 110 THR C C 110 175.000 175.000 175.898 -0.898 25588 15254 1 19 . 1 1 110 110 THR CA C 110 63.270 63.270 65.993 -2.723 25588 15255 1 19 . 1 1 110 110 THR CB C 110 66.230 66.230 68.516 -2.286 25588 15256 1 19 . 1 1 110 110 THR H H 110 8.125 8.125 8.251 -0.126 25588 15257 1 19 . 1 1 111 111 ASN N N 111 122.200 122.200 118.488 3.712 25588 15258 1 19 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.417 0.020 25588 15259 1 19 . 1 1 111 111 ASN C C 111 173.700 173.700 177.394 -3.694 25588 15260 1 19 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.519 -2.449 25588 15261 1 19 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.411 -2.591 25588 15262 1 19 . 1 1 111 111 ASN H H 111 7.867 7.867 7.466 0.401 25588 15263 1 19 . 1 1 112 112 LEU N N 112 119.100 119.100 118.871 0.229 25588 15264 1 19 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.090 0.243 25588 15265 1 19 . 1 1 112 112 LEU C C 112 174.700 174.700 176.749 -2.049 25588 15266 1 19 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.295 -3.535 25588 15267 1 19 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.555 -3.105 25588 15268 1 19 . 1 1 112 112 LEU H H 112 7.850 7.850 7.257 0.593 25588 15269 1 19 . 1 1 113 113 GLY N N 113 106.800 106.800 103.679 3.121 25588 15270 1 19 . 1 1 113 113 GLY C C 113 171.700 171.700 172.366 -0.666 25588 15271 1 19 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.054 -2.264 25588 15272 1 19 . 1 1 113 113 GLY H H 113 7.830 7.830 7.462 0.368 25588 15273 1 19 . 1 1 114 114 GLU N N 114 120.600 120.600 119.567 1.033 25588 15274 1 19 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.629 -0.229 25588 15275 1 19 . 1 1 114 114 GLU C C 114 172.800 172.800 177.216 -4.416 25588 15276 1 19 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.163 -3.494 25588 15277 1 19 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.669 -2.708 25588 15278 1 19 . 1 1 114 114 GLU H H 114 7.914 7.914 8.686 -0.772 25588 15279 1 19 . 1 1 115 115 LYS N N 115 124.000 124.000 120.241 3.759 25588 15280 1 19 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.120 0.237 25588 15281 1 19 . 1 1 115 115 LYS C C 115 173.000 173.000 176.587 -3.587 25588 15282 1 19 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.254 -5.234 25588 15283 1 19 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.602 -3.192 25588 15284 1 19 . 1 1 115 115 LYS H H 115 8.505 8.505 8.373 0.132 25588 15285 1 19 . 1 1 116 116 LEU N N 116 125.000 125.000 117.837 7.163 25588 15286 1 19 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.401 0.358 25588 15287 1 19 . 1 1 116 116 LEU C C 116 175.300 175.300 176.956 -1.656 25588 15288 1 19 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.855 -2.435 25588 15289 1 19 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.312 -1.202 25588 15290 1 19 . 1 1 116 116 LEU H H 116 8.076 8.076 7.673 0.403 25588 15291 1 19 . 1 1 117 117 THR N N 117 114.500 114.500 111.827 2.673 25588 15292 1 19 . 1 1 117 117 THR HA H 117 4.453 4.453 4.229 0.224 25588 15293 1 19 . 1 1 117 117 THR C C 117 172.800 172.800 174.330 -1.530 25588 15294 1 19 . 1 1 117 117 THR CA C 117 57.970 57.970 62.067 -4.097 25588 15295 1 19 . 1 1 117 117 THR CB C 117 68.610 68.610 69.839 -1.229 25588 15296 1 19 . 1 1 117 117 THR H H 117 9.116 9.116 8.302 0.814 25588 15297 1 19 . 1 1 118 118 ASP N N 118 121.000 121.000 119.261 1.739 25588 15298 1 19 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.634 -0.438 25588 15299 1 19 . 1 1 118 118 ASP C C 118 175.900 175.900 177.682 -1.782 25588 15300 1 19 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.245 -0.885 25588 15301 1 19 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.942 -3.832 25588 15302 1 19 . 1 1 118 118 ASP H H 118 8.847 8.847 8.658 0.189 25588 15303 1 19 . 1 1 119 119 GLU N N 119 119.100 119.100 119.370 -0.270 25588 15304 1 19 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.357 -0.287 25588 15305 1 19 . 1 1 119 119 GLU C C 119 176.500 176.500 177.487 -0.987 25588 15306 1 19 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.792 -1.512 25588 15307 1 19 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.579 -3.149 25588 15308 1 19 . 1 1 119 119 GLU H H 119 8.626 8.626 8.386 0.240 25588 15309 1 19 . 1 1 120 120 GLU N N 120 120.500 120.500 118.630 1.870 25588 15310 1 19 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.041 -0.051 25588 15311 1 19 . 1 1 120 120 GLU C C 120 177.400 177.400 178.688 -1.288 25588 15312 1 19 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.341 -2.751 25588 15313 1 19 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.117 -0.327 25588 15314 1 19 . 1 1 120 120 GLU H H 120 7.724 7.724 8.831 -1.107 25588 15315 1 19 . 1 1 121 121 VAL N N 121 121.100 121.100 115.382 5.718 25588 15316 1 19 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.811 -0.224 25588 15317 1 19 . 1 1 121 121 VAL C C 121 174.600 174.600 177.663 -3.063 25588 15318 1 19 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.440 -1.130 25588 15319 1 19 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.180 -2.800 25588 15320 1 19 . 1 1 121 121 VAL H H 121 8.062 8.062 7.886 0.176 25588 15321 1 19 . 1 1 122 122 ASP N N 122 119.600 119.600 121.498 -1.898 25588 15322 1 19 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.318 -0.009 25588 15323 1 19 . 1 1 122 122 ASP C C 122 176.500 176.500 178.861 -2.361 25588 15324 1 19 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.302 -2.302 25588 15325 1 19 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.157 -2.257 25588 15326 1 19 . 1 1 122 122 ASP H H 122 8.007 8.007 7.722 0.285 25588 15327 1 19 . 1 1 123 123 GLU N N 123 119.300 119.300 118.848 0.452 25588 15328 1 19 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.083 -0.085 25588 15329 1 19 . 1 1 123 123 GLU C C 123 175.400 175.400 178.796 -3.396 25588 15330 1 19 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.424 -1.764 25588 15331 1 19 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.545 -2.755 25588 15332 1 19 . 1 1 123 123 GLU H H 123 7.967 7.967 8.128 -0.161 25588 15333 1 19 . 1 1 124 124 MET N N 124 119.600 119.600 120.979 -1.379 25588 15334 1 19 . 1 1 124 124 MET HA H 124 4.033 4.033 4.503 -0.470 25588 15335 1 19 . 1 1 124 124 MET C C 124 176.500 176.500 178.646 -2.146 25588 15336 1 19 . 1 1 124 124 MET CA C 124 56.970 56.970 58.483 -1.513 25588 15337 1 19 . 1 1 124 124 MET CB C 124 30.470 30.470 32.296 -1.826 25588 15338 1 19 . 1 1 124 124 MET H H 124 7.789 7.789 8.145 -0.356 25588 15339 1 19 . 1 1 125 125 ILE N N 125 118.500 118.500 116.103 2.397 25588 15340 1 19 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.729 -0.230 25588 15341 1 19 . 1 1 125 125 ILE C C 125 174.600 174.600 177.475 -2.875 25588 15342 1 19 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.807 -2.617 25588 15343 1 19 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.569 -4.059 25588 15344 1 19 . 1 1 125 125 ILE H H 125 7.940 7.940 7.870 0.070 25588 15345 1 19 . 1 1 126 126 ARG N N 126 118.300 118.300 119.177 -0.877 25588 15346 1 19 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.135 -0.127 25588 15347 1 19 . 1 1 126 126 ARG C C 126 176.800 176.800 178.404 -1.604 25588 15348 1 19 . 1 1 126 126 ARG CA C 126 57.100 57.100 58.851 -1.751 25588 15349 1 19 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.558 -2.988 25588 15350 1 19 . 1 1 126 126 ARG H H 126 8.168 8.168 7.984 0.184 25588 15351 1 19 . 1 1 127 127 GLU N N 127 116.300 116.300 119.710 -3.410 25588 15352 1 19 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.080 -0.097 25588 15353 1 19 . 1 1 127 127 GLU C C 127 174.700 174.700 177.760 -3.060 25588 15354 1 19 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.777 -2.897 25588 15355 1 19 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.489 -2.549 25588 15356 1 19 . 1 1 127 127 GLU H H 127 7.918 7.918 8.401 -0.483 25588 15357 1 19 . 1 1 128 128 ALA N N 128 119.100 119.100 120.189 -1.089 25588 15358 1 19 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.005 0.413 25588 15359 1 19 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.077 -4.567 25588 15360 1 19 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.771 -0.031 25588 15361 1 19 . 1 1 128 128 ALA H H 128 7.354 7.354 7.506 -0.152 25588 15362 1 19 . 1 1 129 129 ASP N N 129 117.400 117.400 118.227 -0.827 25588 15363 1 19 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.650 -0.148 25588 15364 1 19 . 1 1 129 129 ASP C C 129 173.400 173.400 176.607 -3.207 25588 15365 1 19 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.273 -1.863 25588 15366 1 19 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.515 -4.815 25588 15367 1 19 . 1 1 129 129 ASP H H 129 7.871 7.871 7.533 0.338 25588 15368 1 19 . 1 1 130 130 ILE N N 130 128.000 128.000 118.652 9.348 25588 15369 1 19 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.181 -0.264 25588 15370 1 19 . 1 1 130 130 ILE C C 130 175.300 175.300 176.088 -0.788 25588 15371 1 19 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.187 -0.477 25588 15372 1 19 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.678 -1.867 25588 15373 1 19 . 1 1 130 130 ILE H H 130 8.384 8.384 8.316 0.068 25588 15374 1 19 . 1 1 131 131 ASP N N 131 116.800 116.800 122.900 -6.100 25588 15375 1 19 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.522 0.028 25588 15376 1 19 . 1 1 131 131 ASP C C 131 175.600 175.600 177.692 -2.092 25588 15377 1 19 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.189 -4.969 25588 15378 1 19 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.096 -3.866 25588 15379 1 19 . 1 1 131 131 ASP H H 131 8.281 8.281 9.130 -0.849 25588 15380 1 19 . 1 1 132 132 GLY N N 132 108.500 108.500 106.592 1.908 25588 15381 1 19 . 1 1 132 132 GLY C C 132 172.600 172.600 175.047 -2.447 25588 15382 1 19 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.180 -1.330 25588 15383 1 19 . 1 1 132 132 GLY H H 132 7.575 7.575 8.655 -1.080 25588 15384 1 19 . 1 1 133 133 ASP N N 133 120.800 120.800 119.192 1.608 25588 15385 1 19 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.550 -0.086 25588 15386 1 19 . 1 1 133 133 ASP C C 133 174.900 174.900 177.113 -2.213 25588 15387 1 19 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.564 -2.574 25588 15388 1 19 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.671 -3.081 25588 15389 1 19 . 1 1 133 133 ASP H H 133 8.326 8.326 8.089 0.237 25588 15390 1 19 . 1 1 134 134 GLY N N 134 112.900 112.900 109.655 3.245 25588 15391 1 19 . 1 1 134 134 GLY C C 134 170.200 170.200 173.191 -2.991 25588 15392 1 19 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.543 -2.493 25588 15393 1 19 . 1 1 134 134 GLY H H 134 10.310 10.310 8.166 2.144 25588 15394 1 19 . 1 1 135 135 GLN N N 135 115.400 115.400 121.335 -5.935 25588 15395 1 19 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.798 0.062 25588 15396 1 19 . 1 1 135 135 GLN C C 135 172.100 172.100 173.569 -1.469 25588 15397 1 19 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.051 -3.521 25588 15398 1 19 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.957 -2.937 25588 15399 1 19 . 1 1 135 135 GLN H H 135 7.937 7.937 8.064 -0.127 25588 15400 1 19 . 1 1 136 136 VAL N N 136 125.500 125.500 121.635 3.865 25588 15401 1 19 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.619 0.571 25588 15402 1 19 . 1 1 136 136 VAL C C 136 173.200 173.200 174.583 -1.383 25588 15403 1 19 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.840 -1.740 25588 15404 1 19 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.729 -3.809 25588 15405 1 19 . 1 1 136 136 VAL H H 136 9.112 9.112 8.528 0.584 25588 15406 1 19 . 1 1 137 137 ASN N N 137 129.000 129.000 121.995 7.005 25588 15407 1 19 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.247 -0.015 25588 15408 1 19 . 1 1 137 137 ASN C C 137 172.200 172.200 174.893 -2.693 25588 15409 1 19 . 1 1 137 137 ASN CA C 137 48.460 48.460 52.123 -3.663 25588 15410 1 19 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.773 -6.083 25588 15411 1 19 . 1 1 137 137 ASN H H 137 9.509 9.509 7.838 1.671 25588 15412 1 19 . 1 1 138 138 TYR N N 138 118.400 118.400 122.679 -4.279 25588 15413 1 19 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.382 -0.958 25588 15414 1 19 . 1 1 138 138 TYR C C 138 173.500 173.500 177.206 -3.706 25588 15415 1 19 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.995 -2.965 25588 15416 1 19 . 1 1 138 138 TYR H H 138 8.420 8.420 9.268 -0.848 25588 15417 1 19 . 1 1 139 139 GLU N N 139 118.400 118.400 117.211 1.189 25588 15418 1 19 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.799 -0.158 25588 15419 1 19 . 1 1 139 139 GLU C C 139 177.900 177.900 178.889 -0.989 25588 15420 1 19 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.612 -2.872 25588 15421 1 19 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.668 -2.278 25588 15422 1 19 . 1 1 139 139 GLU H H 139 8.066 8.066 8.993 -0.927 25588 15423 1 19 . 1 1 140 140 GLU N N 140 119.900 119.900 119.234 0.666 25588 15424 1 19 . 1 1 140 140 GLU C C 140 176.700 176.700 178.703 -2.003 25588 15425 1 19 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.853 -2.953 25588 15426 1 19 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.239 -2.039 25588 15427 1 19 . 1 1 140 140 GLU H H 140 8.728 8.728 7.717 1.011 25588 15428 1 19 . 1 1 141 141 PHE N N 141 124.600 124.600 119.638 4.962 25588 15429 1 19 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.095 -0.111 25588 15430 1 19 . 1 1 141 141 PHE C C 141 174.200 174.200 177.632 -3.432 25588 15431 1 19 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.841 -2.881 25588 15432 1 19 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.380 -1.110 25588 15433 1 19 . 1 1 141 141 PHE H H 141 8.920 8.920 7.547 1.373 25588 15434 1 19 . 1 1 142 142 VAL N N 142 119.300 119.300 117.754 1.546 25588 15435 1 19 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.495 -0.374 25588 15436 1 19 . 1 1 142 142 VAL C C 142 176.900 176.900 177.033 -0.133 25588 15437 1 19 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.285 -1.855 25588 15438 1 19 . 1 1 142 142 VAL H H 142 8.536 8.536 7.578 0.958 25588 15439 1 19 . 1 1 143 143 GLN N N 143 118.200 118.200 115.898 2.302 25588 15440 1 19 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.109 -0.258 25588 15441 1 19 . 1 1 143 143 GLN C C 143 175.300 175.300 177.574 -2.274 25588 15442 1 19 . 1 1 143 143 GLN CA C 143 56.260 56.260 56.916 -0.656 25588 15443 1 19 . 1 1 143 143 GLN H H 143 7.404 7.404 7.278 0.126 25588 15444 1 19 . 1 1 144 144 MET N N 144 119.400 119.400 118.313 1.087 25588 15445 1 19 . 1 1 144 144 MET HA H 144 4.107 4.107 4.209 -0.102 25588 15446 1 19 . 1 1 144 144 MET C C 144 175.400 175.400 176.752 -1.352 25588 15447 1 19 . 1 1 144 144 MET CA C 144 55.500 55.500 58.148 -2.648 25588 15448 1 19 . 1 1 144 144 MET CB C 144 30.460 30.460 33.476 -3.016 25588 15449 1 19 . 1 1 144 144 MET H H 144 7.878 7.878 7.735 0.143 25588 15450 1 19 . 1 1 145 145 MET N N 145 115.000 115.000 119.012 -4.012 25588 15451 1 19 . 1 1 145 145 MET HA H 145 4.281 4.281 4.582 -0.301 25588 15452 1 19 . 1 1 145 145 MET C C 145 174.900 174.900 174.742 0.158 25588 15453 1 19 . 1 1 145 145 MET CA C 145 52.740 52.740 55.671 -2.931 25588 15454 1 19 . 1 1 145 145 MET H H 145 7.852 7.852 7.583 0.269 25588 15455 1 19 . 1 1 146 146 THR N N 146 111.100 111.100 116.975 -5.875 25588 15456 1 19 . 1 1 146 146 THR HA H 146 4.306 4.306 4.459 -0.153 25588 15457 1 19 . 1 1 146 146 THR C C 146 171.600 171.600 173.956 -2.356 25588 15458 1 19 . 1 1 146 146 THR CA C 146 59.830 59.830 62.346 -2.516 25588 15459 1 19 . 1 1 146 146 THR CB C 146 67.510 67.510 68.843 -1.333 25588 15460 1 19 . 1 1 146 146 THR H H 146 7.571 7.571 8.201 -0.630 25588 15461 1 19 . 1 1 147 147 ALA N N 147 126.300 126.300 127.955 -1.655 25588 15462 1 19 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.005 0.295 25588 15463 1 19 . 1 1 147 147 ALA C C 147 174.000 174.000 177.174 -3.174 25588 15464 1 19 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.466 -4.276 25588 15465 1 19 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.181 -2.701 25588 15466 1 19 . 1 1 147 147 ALA H H 147 7.723 7.723 8.217 -0.494 25588 15467 1 20 . 1 1 2 2 ASP N N 2 118.400 118.400 122.503 -4.103 25588 15468 1 20 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.870 -0.256 25588 15469 1 20 . 1 1 2 2 ASP C C 2 173.000 173.000 175.402 -2.402 25588 15470 1 20 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.209 -2.189 25588 15471 1 20 . 1 1 2 2 ASP CB C 2 38.820 38.820 40.949 -2.129 25588 15472 1 20 . 1 1 2 2 ASP H H 2 8.311 8.311 8.408 -0.097 25588 15473 1 20 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.517 -0.163 25588 15474 1 20 . 1 1 3 3 GLN C C 3 173.000 173.000 174.532 -1.532 25588 15475 1 20 . 1 1 3 3 GLN CA C 3 52.910 52.910 54.645 -1.735 25588 15476 1 20 . 1 1 3 3 GLN CB C 3 27.150 27.150 31.392 -4.242 25588 15477 1 20 . 1 1 3 3 GLN H H 3 8.321 8.321 8.437 -0.116 25588 15478 1 20 . 1 1 4 4 LEU N N 4 123.200 123.200 122.651 0.549 25588 15479 1 20 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.608 0.042 25588 15480 1 20 . 1 1 4 4 LEU C C 4 175.100 175.100 176.460 -1.360 25588 15481 1 20 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.722 -2.932 25588 15482 1 20 . 1 1 4 4 LEU CB C 4 40.860 40.860 42.666 -1.806 25588 15483 1 20 . 1 1 4 4 LEU H H 4 8.268 8.268 8.612 -0.344 25588 15484 1 20 . 1 1 5 5 THR N N 5 113.000 113.000 117.946 -4.946 25588 15485 1 20 . 1 1 5 5 THR HA H 5 4.754 4.754 4.588 0.166 25588 15486 1 20 . 1 1 5 5 THR C C 5 172.800 172.800 174.425 -1.625 25588 15487 1 20 . 1 1 5 5 THR CA C 5 57.880 57.880 60.444 -2.564 25588 15488 1 20 . 1 1 5 5 THR CB C 5 68.480 68.480 71.326 -2.846 25588 15489 1 20 . 1 1 5 5 THR H H 5 8.682 8.682 7.931 0.751 25588 15490 1 20 . 1 1 6 6 GLU N N 6 120.500 120.500 121.299 -0.799 25588 15491 1 20 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.103 -0.140 25588 15492 1 20 . 1 1 6 6 GLU C C 6 176.800 176.800 178.411 -1.611 25588 15493 1 20 . 1 1 6 6 GLU CA C 6 57.430 57.430 58.734 -1.304 25588 15494 1 20 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.750 -3.229 25588 15495 1 20 . 1 1 6 6 GLU H H 6 8.990 8.990 8.854 0.136 25588 15496 1 20 . 1 1 7 7 GLU N N 7 119.600 119.600 118.629 0.971 25588 15497 1 20 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.043 0.026 25588 15498 1 20 . 1 1 7 7 GLU C C 7 176.500 176.500 178.882 -2.382 25588 15499 1 20 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.249 -1.869 25588 15500 1 20 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.351 -2.921 25588 15501 1 20 . 1 1 7 7 GLU H H 7 8.668 8.668 8.655 0.013 25588 15502 1 20 . 1 1 8 8 GLN N N 8 120.100 120.100 118.436 1.664 25588 15503 1 20 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.075 -0.206 25588 15504 1 20 . 1 1 8 8 GLN C C 8 175.700 175.700 178.819 -3.119 25588 15505 1 20 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.534 -2.584 25588 15506 1 20 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.861 -2.051 25588 15507 1 20 . 1 1 8 8 GLN H H 8 7.721 7.721 7.636 0.085 25588 15508 1 20 . 1 1 9 9 ILE N N 9 119.600 119.600 118.908 0.692 25588 15509 1 20 . 1 1 9 9 ILE HA H 9 3.712 3.712 4.006 -0.294 25588 15510 1 20 . 1 1 9 9 ILE C C 9 175.100 175.100 177.796 -2.696 25588 15511 1 20 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.232 -0.702 25588 15512 1 20 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.812 -2.732 25588 15513 1 20 . 1 1 9 9 ILE H H 9 8.373 8.373 7.386 0.987 25588 15514 1 20 . 1 1 10 10 ALA N N 10 121.300 121.300 122.800 -1.500 25588 15515 1 20 . 1 1 10 10 ALA C C 10 178.400 178.400 179.183 -0.783 25588 15516 1 20 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.103 -2.313 25588 15517 1 20 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.898 -2.538 25588 15518 1 20 . 1 1 10 10 ALA H H 10 7.984 7.984 7.954 0.030 25588 15519 1 20 . 1 1 11 11 GLU N N 11 119.500 119.500 119.264 0.236 25588 15520 1 20 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.862 0.285 25588 15521 1 20 . 1 1 11 11 GLU C C 11 177.900 177.900 179.079 -1.179 25588 15522 1 20 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.219 -2.549 25588 15523 1 20 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.150 -2.650 25588 15524 1 20 . 1 1 11 11 GLU H H 11 7.779 7.779 7.817 -0.038 25588 15525 1 20 . 1 1 12 12 PHE N N 12 120.200 120.200 118.086 2.114 25588 15526 1 20 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.326 0.694 25588 15527 1 20 . 1 1 12 12 PHE C C 12 176.100 176.100 177.848 -1.748 25588 15528 1 20 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.364 -4.754 25588 15529 1 20 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.821 -3.541 25588 15530 1 20 . 1 1 12 12 PHE H H 12 8.562 8.562 7.667 0.895 25588 15531 1 20 . 1 1 13 13 LYS N N 13 123.500 123.500 120.218 3.282 25588 15532 1 20 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.052 -0.063 25588 15533 1 20 . 1 1 13 13 LYS C C 13 176.700 176.700 179.122 -2.422 25588 15534 1 20 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.938 -2.418 25588 15535 1 20 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.358 -3.048 25588 15536 1 20 . 1 1 13 13 LYS H H 13 9.161 9.161 7.589 1.572 25588 15537 1 20 . 1 1 14 14 GLU N N 14 120.400 120.400 118.286 2.114 25588 15538 1 20 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.149 -0.024 25588 15539 1 20 . 1 1 14 14 GLU C C 14 176.800 176.800 179.112 -2.312 25588 15540 1 20 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.924 -2.194 25588 15541 1 20 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.475 -2.875 25588 15542 1 20 . 1 1 14 14 GLU H H 14 7.786 7.786 8.581 -0.795 25588 15543 1 20 . 1 1 15 15 ALA N N 15 122.600 122.600 122.097 0.503 25588 15544 1 20 . 1 1 15 15 ALA HA H 15 4.283 4.283 3.968 0.315 25588 15545 1 20 . 1 1 15 15 ALA C C 15 176.400 176.400 179.437 -3.037 25588 15546 1 20 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.571 -1.981 25588 15547 1 20 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.130 -2.590 25588 15548 1 20 . 1 1 15 15 ALA H H 15 7.981 7.981 8.202 -0.221 25588 15549 1 20 . 1 1 16 16 PHE N N 16 119.400 119.400 119.188 0.212 25588 15550 1 20 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.491 -1.285 25588 15551 1 20 . 1 1 16 16 PHE C C 16 174.600 174.600 177.086 -2.486 25588 15552 1 20 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.535 -2.175 25588 15553 1 20 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.362 -2.322 25588 15554 1 20 . 1 1 16 16 PHE H H 16 8.796 8.796 8.466 0.330 25588 15555 1 20 . 1 1 17 17 SER N N 17 112.600 112.600 113.683 -1.083 25588 15556 1 20 . 1 1 17 17 SER HA H 17 4.028 4.028 4.255 -0.227 25588 15557 1 20 . 1 1 17 17 SER C C 17 172.400 172.400 176.086 -3.686 25588 15558 1 20 . 1 1 17 17 SER CA C 17 58.820 58.820 60.642 -1.822 25588 15559 1 20 . 1 1 17 17 SER CB C 17 60.680 60.680 63.271 -2.591 25588 15560 1 20 . 1 1 17 17 SER H H 17 7.898 7.898 8.021 -0.123 25588 15561 1 20 . 1 1 18 18 LEU N N 18 121.000 121.000 124.172 -3.172 25588 15562 1 20 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.948 0.047 25588 15563 1 20 . 1 1 18 18 LEU C C 18 175.300 175.300 177.921 -2.621 25588 15564 1 20 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.781 -3.291 25588 15565 1 20 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.463 -2.593 25588 15566 1 20 . 1 1 18 18 LEU H H 18 7.426 7.426 7.210 0.216 25588 15567 1 20 . 1 1 19 19 PHE N N 19 115.200 115.200 115.189 0.011 25588 15568 1 20 . 1 1 19 19 PHE C C 19 174.100 174.100 178.189 -4.089 25588 15569 1 20 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.360 -4.720 25588 15570 1 20 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.491 -0.241 25588 15571 1 20 . 1 1 19 19 PHE H H 19 7.309 7.309 7.545 -0.236 25588 15572 1 20 . 1 1 20 20 ASP N N 20 117.700 117.700 118.644 -0.944 25588 15573 1 20 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.684 -0.144 25588 15574 1 20 . 1 1 20 20 ASP C C 20 174.500 174.500 178.088 -3.588 25588 15575 1 20 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.474 -4.754 25588 15576 1 20 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.948 -4.748 25588 15577 1 20 . 1 1 20 20 ASP H H 20 7.814 7.814 7.841 -0.027 25588 15578 1 20 . 1 1 21 21 LYS N N 21 124.400 124.400 119.279 5.121 25588 15579 1 20 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.881 0.073 25588 15580 1 20 . 1 1 21 21 LYS C C 21 175.500 175.500 177.610 -2.110 25588 15581 1 20 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.088 -3.198 25588 15582 1 20 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.248 -2.188 25588 15583 1 20 . 1 1 21 21 LYS H H 21 7.652 7.652 7.795 -0.143 25588 15584 1 20 . 1 1 22 22 ASP N N 22 113.900 113.900 116.996 -3.096 25588 15585 1 20 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.388 0.197 25588 15586 1 20 . 1 1 22 22 ASP C C 22 175.000 175.000 177.091 -2.091 25588 15587 1 20 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.735 -5.605 25588 15588 1 20 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.980 -4.071 25588 15589 1 20 . 1 1 22 22 ASP H H 22 8.056 8.056 7.804 0.252 25588 15590 1 20 . 1 1 23 23 GLY N N 23 109.200 109.200 109.220 -0.020 25588 15591 1 20 . 1 1 23 23 GLY C C 23 172.300 172.300 173.538 -1.238 25588 15592 1 20 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.682 -0.092 25588 15593 1 20 . 1 1 23 23 GLY H H 23 7.660 7.660 7.764 -0.104 25588 15594 1 20 . 1 1 24 24 ASP N N 24 118.600 118.600 118.300 0.300 25588 15595 1 20 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.509 0.108 25588 15596 1 20 . 1 1 24 24 ASP C C 24 174.200 174.200 175.684 -1.484 25588 15597 1 20 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.090 -5.120 25588 15598 1 20 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.062 -5.971 25588 15599 1 20 . 1 1 24 24 ASP H H 24 8.052 8.052 8.364 -0.312 25588 15600 1 20 . 1 1 25 25 GLY N N 25 113.400 113.400 107.746 5.654 25588 15601 1 20 . 1 1 25 25 GLY C C 25 170.600 170.600 173.283 -2.683 25588 15602 1 20 . 1 1 25 25 GLY CA C 25 43.160 43.160 44.860 -1.700 25588 15603 1 20 . 1 1 25 25 GLY H H 25 10.570 10.570 7.933 2.637 25588 15604 1 20 . 1 1 26 26 THR N N 26 109.100 109.100 118.381 -9.281 25588 15605 1 20 . 1 1 26 26 THR HA H 26 5.271 5.271 4.595 0.676 25588 15606 1 20 . 1 1 26 26 THR C C 26 170.200 170.200 172.825 -2.625 25588 15607 1 20 . 1 1 26 26 THR CA C 26 57.170 57.170 62.307 -5.137 25588 15608 1 20 . 1 1 26 26 THR CB C 26 69.920 69.920 72.653 -2.733 25588 15609 1 20 . 1 1 26 26 THR H H 26 7.661 7.661 8.402 -0.741 25588 15610 1 20 . 1 1 27 27 ILE N N 27 127.100 127.100 126.268 0.832 25588 15611 1 20 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.637 0.334 25588 15612 1 20 . 1 1 27 27 ILE C C 27 173.400 173.400 174.812 -1.412 25588 15613 1 20 . 1 1 27 27 ILE CA C 27 57.820 57.820 60.085 -2.265 25588 15614 1 20 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.669 -2.950 25588 15615 1 20 . 1 1 27 27 ILE H H 27 9.766 9.766 8.310 1.456 25588 15616 1 20 . 1 1 28 28 THR N N 28 116.500 116.500 115.892 0.608 25588 15617 1 20 . 1 1 28 28 THR HA H 28 4.802 4.802 5.017 -0.215 25588 15618 1 20 . 1 1 28 28 THR C C 28 173.900 173.900 176.095 -2.195 25588 15619 1 20 . 1 1 28 28 THR CA C 28 56.980 56.980 59.639 -2.659 25588 15620 1 20 . 1 1 28 28 THR CB C 28 69.730 69.730 72.683 -2.953 25588 15621 1 20 . 1 1 28 28 THR H H 28 8.458 8.458 7.652 0.806 25588 15622 1 20 . 1 1 29 29 THR N N 29 112.900 112.900 114.309 -1.409 25588 15623 1 20 . 1 1 29 29 THR HA H 29 4.169 4.169 3.977 0.192 25588 15624 1 20 . 1 1 29 29 THR C C 29 174.500 174.500 176.448 -1.948 25588 15625 1 20 . 1 1 29 29 THR CA C 29 63.940 63.940 66.422 -2.482 25588 15626 1 20 . 1 1 29 29 THR CB C 29 65.170 65.170 68.590 -3.420 25588 15627 1 20 . 1 1 29 29 THR H H 29 9.066 9.066 8.883 0.183 25588 15628 1 20 . 1 1 30 30 LYS N N 30 120.800 120.800 121.620 -0.820 25588 15629 1 20 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.943 0.168 25588 15630 1 20 . 1 1 30 30 LYS C C 30 177.200 177.200 178.518 -1.318 25588 15631 1 20 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.715 -3.185 25588 15632 1 20 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.089 -2.129 25588 15633 1 20 . 1 1 30 30 LYS H H 30 7.664 7.664 8.319 -0.655 25588 15634 1 20 . 1 1 31 31 GLU N N 31 121.400 121.400 119.326 2.074 25588 15635 1 20 . 1 1 31 31 GLU HA H 31 4.065 4.065 4.046 0.019 25588 15636 1 20 . 1 1 31 31 GLU C C 31 176.500 176.500 179.663 -3.163 25588 15637 1 20 . 1 1 31 31 GLU CA C 31 56.580 56.580 59.054 -2.474 25588 15638 1 20 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.731 -2.571 25588 15639 1 20 . 1 1 31 31 GLU H H 31 7.635 7.635 7.499 0.136 25588 15640 1 20 . 1 1 32 32 LEU N N 32 120.600 120.600 121.786 -1.186 25588 15641 1 20 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.313 -0.231 25588 15642 1 20 . 1 1 32 32 LEU C C 32 176.300 176.300 179.026 -2.726 25588 15643 1 20 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.532 -2.122 25588 15644 1 20 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.849 -1.879 25588 15645 1 20 . 1 1 32 32 LEU H H 32 8.699 8.699 7.874 0.825 25588 15646 1 20 . 1 1 33 33 GLY N N 33 105.600 105.600 104.310 1.290 25588 15647 1 20 . 1 1 33 33 GLY C C 33 172.500 172.500 176.177 -3.677 25588 15648 1 20 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.557 -1.837 25588 15649 1 20 . 1 1 33 33 GLY H H 33 8.616 8.616 8.799 -0.183 25588 15650 1 20 . 1 1 34 34 THR N N 34 118.000 118.000 119.458 -1.458 25588 15651 1 20 . 1 1 34 34 THR HA H 34 3.913 3.913 4.003 -0.090 25588 15652 1 20 . 1 1 34 34 THR C C 34 174.500 174.500 176.412 -1.912 25588 15653 1 20 . 1 1 34 34 THR CA C 34 64.250 64.250 66.445 -2.195 25588 15654 1 20 . 1 1 34 34 THR CB C 34 66.100 66.100 68.523 -2.423 25588 15655 1 20 . 1 1 34 34 THR H H 34 7.867 7.867 7.573 0.294 25588 15656 1 20 . 1 1 35 35 VAL N N 35 122.100 122.100 122.384 -0.284 25588 15657 1 20 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.709 -0.251 25588 15658 1 20 . 1 1 35 35 VAL C C 35 176.500 176.500 177.112 -0.612 25588 15659 1 20 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.861 -2.231 25588 15660 1 20 . 1 1 35 35 VAL CB C 35 28.120 28.120 30.989 -2.869 25588 15661 1 20 . 1 1 35 35 VAL H H 35 7.613 7.613 8.240 -0.627 25588 15662 1 20 . 1 1 36 36 MET N N 36 118.400 118.400 118.179 0.221 25588 15663 1 20 . 1 1 36 36 MET HA H 36 4.095 4.095 4.050 0.045 25588 15664 1 20 . 1 1 36 36 MET C C 36 176.500 176.500 178.322 -1.822 25588 15665 1 20 . 1 1 36 36 MET CA C 36 56.420 56.420 57.668 -1.248 25588 15666 1 20 . 1 1 36 36 MET H H 36 8.440 8.440 7.509 0.931 25588 15667 1 20 . 1 1 37 37 ARG N N 37 119.000 119.000 119.226 -0.226 25588 15668 1 20 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.000 0.801 25588 15669 1 20 . 1 1 37 37 ARG C C 37 178.500 178.500 179.460 -0.960 25588 15670 1 20 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.653 -3.233 25588 15671 1 20 . 1 1 37 37 ARG H H 37 8.474 8.474 8.443 0.031 25588 15672 1 20 . 1 1 38 38 SER N N 38 118.800 118.800 116.557 2.243 25588 15673 1 20 . 1 1 38 38 SER HA H 38 4.380 4.380 4.202 0.178 25588 15674 1 20 . 1 1 38 38 SER C C 38 172.200 172.200 176.312 -4.112 25588 15675 1 20 . 1 1 38 38 SER CA C 38 58.930 58.930 61.420 -2.490 25588 15676 1 20 . 1 1 38 38 SER CB C 38 60.200 60.200 62.998 -2.798 25588 15677 1 20 . 1 1 38 38 SER H H 38 7.899 7.899 7.977 -0.078 25588 15678 1 20 . 1 1 39 39 LEU N N 39 120.600 120.600 118.577 2.023 25588 15679 1 20 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.432 0.063 25588 15680 1 20 . 1 1 39 39 LEU C C 39 174.800 174.800 177.963 -3.163 25588 15681 1 20 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.279 -2.349 25588 15682 1 20 . 1 1 39 39 LEU H H 39 7.364 7.364 7.804 -0.440 25588 15683 1 20 . 1 1 40 40 GLY N N 40 106.800 106.800 108.859 -2.059 25588 15684 1 20 . 1 1 40 40 GLY C C 40 171.700 171.700 174.253 -2.553 25588 15685 1 20 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.408 -3.438 25588 15686 1 20 . 1 1 40 40 GLY H H 40 7.862 7.862 7.932 -0.070 25588 15687 1 20 . 1 1 41 41 GLN N N 41 118.400 118.400 122.629 -4.229 25588 15688 1 20 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.468 0.012 25588 15689 1 20 . 1 1 41 41 GLN C C 41 171.400 171.400 173.309 -1.909 25588 15690 1 20 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.372 -3.482 25588 15691 1 20 . 1 1 41 41 GLN CB C 41 28.080 28.080 31.955 -3.875 25588 15692 1 20 . 1 1 41 41 GLN H H 41 7.788 7.788 8.563 -0.775 25588 15693 1 20 . 1 1 42 42 ASN N N 42 116.300 116.300 122.143 -5.843 25588 15694 1 20 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.394 -0.201 25588 15695 1 20 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.782 -1.162 25588 15696 1 20 . 1 1 42 42 ASN H H 42 8.665 8.665 8.471 0.194 25588 15697 1 20 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.100 0.635 25588 15698 1 20 . 1 1 43 43 PRO C C 43 175.100 175.100 178.521 -3.421 25588 15699 1 20 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.677 -5.897 25588 15700 1 20 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.696 -2.306 25588 15701 1 20 . 1 1 44 44 THR N N 44 112.900 112.900 112.934 -0.034 25588 15702 1 20 . 1 1 44 44 THR HA H 44 4.707 4.707 3.964 0.743 25588 15703 1 20 . 1 1 44 44 THR C C 44 172.600 172.600 176.751 -4.151 25588 15704 1 20 . 1 1 44 44 THR CA C 44 57.830 57.830 66.630 -8.800 25588 15705 1 20 . 1 1 44 44 THR CB C 44 68.490 68.490 68.398 0.092 25588 15706 1 20 . 1 1 44 44 THR H H 44 8.702 8.702 7.946 0.756 25588 15707 1 20 . 1 1 45 45 GLU N N 45 120.800 120.800 120.205 0.595 25588 15708 1 20 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.320 -0.345 25588 15709 1 20 . 1 1 45 45 GLU C C 45 176.300 176.300 178.315 -2.015 25588 15710 1 20 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.209 -0.749 25588 15711 1 20 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.549 -3.129 25588 15712 1 20 . 1 1 45 45 GLU H H 45 8.789 8.789 8.495 0.294 25588 15713 1 20 . 1 1 46 46 ALA N N 46 120.700 120.700 124.087 -3.387 25588 15714 1 20 . 1 1 46 46 ALA HA H 46 4.089 4.089 3.987 0.102 25588 15715 1 20 . 1 1 46 46 ALA C C 46 177.700 177.700 179.564 -1.864 25588 15716 1 20 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.481 -3.071 25588 15717 1 20 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.939 -2.289 25588 15718 1 20 . 1 1 46 46 ALA H H 46 8.241 8.241 8.192 0.049 25588 15719 1 20 . 1 1 47 47 GLU N N 47 118.900 118.900 117.855 1.045 25588 15720 1 20 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.169 -0.167 25588 15721 1 20 . 1 1 47 47 GLU C C 47 177.500 177.500 179.183 -1.683 25588 15722 1 20 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.732 -2.322 25588 15723 1 20 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.728 -2.668 25588 15724 1 20 . 1 1 47 47 GLU H H 47 7.682 7.682 7.924 -0.242 25588 15725 1 20 . 1 1 48 48 LEU N N 48 120.600 120.600 119.741 0.859 25588 15726 1 20 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.077 -0.016 25588 15727 1 20 . 1 1 48 48 LEU C C 48 175.900 175.900 178.683 -2.783 25588 15728 1 20 . 1 1 48 48 LEU CA C 48 55.270 55.270 56.859 -1.589 25588 15729 1 20 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.448 -1.708 25588 15730 1 20 . 1 1 48 48 LEU H H 48 8.169 8.169 7.406 0.763 25588 15731 1 20 . 1 1 49 49 GLN N N 49 118.200 118.200 120.190 -1.990 25588 15732 1 20 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.885 -0.058 25588 15733 1 20 . 1 1 49 49 GLN C C 49 175.900 175.900 178.019 -2.119 25588 15734 1 20 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.275 -3.305 25588 15735 1 20 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.854 -2.334 25588 15736 1 20 . 1 1 49 49 GLN H H 49 8.179 8.179 8.583 -0.404 25588 15737 1 20 . 1 1 50 50 ASP N N 50 119.900 119.900 118.912 0.988 25588 15738 1 20 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.496 -0.113 25588 15739 1 20 . 1 1 50 50 ASP C C 50 175.900 175.900 178.088 -2.188 25588 15740 1 20 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.270 -1.320 25588 15741 1 20 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.691 -2.901 25588 15742 1 20 . 1 1 50 50 ASP H H 50 8.037 8.037 7.639 0.398 25588 15743 1 20 . 1 1 51 51 MET N N 51 119.300 119.300 121.004 -1.704 25588 15744 1 20 . 1 1 51 51 MET HA H 51 4.028 4.028 4.110 -0.082 25588 15745 1 20 . 1 1 51 51 MET C C 51 176.200 176.200 178.230 -2.030 25588 15746 1 20 . 1 1 51 51 MET CA C 51 56.710 56.710 59.240 -2.530 25588 15747 1 20 . 1 1 51 51 MET CB C 51 30.570 30.570 32.768 -2.198 25588 15748 1 20 . 1 1 51 51 MET H H 51 7.855 7.855 7.281 0.574 25588 15749 1 20 . 1 1 52 52 ILE N N 52 118.200 118.200 119.298 -1.098 25588 15750 1 20 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.505 -0.016 25588 15751 1 20 . 1 1 52 52 ILE C C 52 175.100 175.100 177.837 -2.737 25588 15752 1 20 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.813 -3.593 25588 15753 1 20 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.718 1.612 25588 15754 1 20 . 1 1 52 52 ILE H H 52 7.701 7.701 8.881 -1.180 25588 15755 1 20 . 1 1 53 53 ASN N N 53 117.700 117.700 117.763 -0.063 25588 15756 1 20 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.357 0.004 25588 15757 1 20 . 1 1 53 53 ASN C C 53 174.800 174.800 177.553 -2.753 25588 15758 1 20 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.525 -3.235 25588 15759 1 20 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.273 -2.833 25588 15760 1 20 . 1 1 53 53 ASN H H 53 8.529 8.529 7.844 0.685 25588 15761 1 20 . 1 1 54 54 GLU N N 54 116.400 116.400 120.251 -3.851 25588 15762 1 20 . 1 1 54 54 GLU HA H 54 4.021 4.021 3.991 0.030 25588 15763 1 20 . 1 1 54 54 GLU C C 54 175.000 175.000 177.915 -2.915 25588 15764 1 20 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.240 -3.000 25588 15765 1 20 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.864 -2.034 25588 15766 1 20 . 1 1 54 54 GLU H H 54 7.573 7.573 8.009 -0.436 25588 15767 1 20 . 1 1 55 55 VAL N N 55 108.400 108.400 116.967 -8.567 25588 15768 1 20 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.883 0.563 25588 15769 1 20 . 1 1 55 55 VAL C C 55 173.100 173.100 177.851 -4.751 25588 15770 1 20 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.300 -7.210 25588 15771 1 20 . 1 1 55 55 VAL H H 55 7.204 7.204 7.791 -0.587 25588 15772 1 20 . 1 1 56 56 ASP N N 56 126.900 126.900 119.493 7.407 25588 15773 1 20 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.489 0.149 25588 15774 1 20 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.268 -4.218 25588 15775 1 20 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.755 -3.275 25588 15776 1 20 . 1 1 56 56 ASP H H 56 7.649 7.649 8.375 -0.726 25588 15777 1 20 . 1 1 57 57 ALA N N 57 131.900 131.900 120.907 10.993 25588 15778 1 20 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.218 -0.036 25588 15779 1 20 . 1 1 57 57 ALA C C 57 176.000 176.000 177.825 -1.825 25588 15780 1 20 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.080 -1.390 25588 15781 1 20 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.075 -1.175 25588 15782 1 20 . 1 1 57 57 ALA H H 57 8.458 8.458 7.657 0.801 25588 15783 1 20 . 1 1 58 58 ASP N N 58 113.800 113.800 118.555 -4.755 25588 15784 1 20 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.430 0.181 25588 15785 1 20 . 1 1 58 58 ASP C C 58 175.200 175.200 177.113 -1.913 25588 15786 1 20 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.188 -5.148 25588 15787 1 20 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.706 -3.506 25588 15788 1 20 . 1 1 58 58 ASP H H 58 8.125 8.125 7.637 0.488 25588 15789 1 20 . 1 1 59 59 GLY N N 59 108.400 108.400 106.961 1.439 25588 15790 1 20 . 1 1 59 59 GLY C C 59 172.500 172.500 173.399 -0.899 25588 15791 1 20 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.313 -0.653 25588 15792 1 20 . 1 1 59 59 GLY H H 59 7.550 7.550 7.727 -0.177 25588 15793 1 20 . 1 1 60 60 ASN N N 60 120.600 120.600 116.976 3.624 25588 15794 1 20 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.742 -0.255 25588 15795 1 20 . 1 1 60 60 ASN C C 60 174.800 174.800 175.346 -0.546 25588 15796 1 20 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.928 -1.748 25588 15797 1 20 . 1 1 60 60 ASN CB C 60 37.840 37.840 38.995 -1.155 25588 15798 1 20 . 1 1 60 60 ASN H H 60 8.356 8.356 7.771 0.585 25588 15799 1 20 . 1 1 61 61 GLY N N 61 113.300 113.300 107.478 5.822 25588 15800 1 20 . 1 1 61 61 GLY C C 61 171.100 171.100 173.812 -2.712 25588 15801 1 20 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.859 -3.029 25588 15802 1 20 . 1 1 61 61 GLY H H 61 10.610 10.610 8.743 1.867 25588 15803 1 20 . 1 1 62 62 THR N N 62 112.900 112.900 112.022 0.878 25588 15804 1 20 . 1 1 62 62 THR HA H 62 4.756 4.756 5.154 -0.398 25588 15805 1 20 . 1 1 62 62 THR C C 62 170.500 170.500 173.345 -2.845 25588 15806 1 20 . 1 1 62 62 THR CA C 62 57.050 57.050 59.656 -2.606 25588 15807 1 20 . 1 1 62 62 THR CB C 62 69.100 69.100 72.381 -3.281 25588 15808 1 20 . 1 1 62 62 THR H H 62 8.111 8.111 7.576 0.535 25588 15809 1 20 . 1 1 63 63 ILE N N 63 123.900 123.900 122.993 0.907 25588 15810 1 20 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.297 0.855 25588 15811 1 20 . 1 1 63 63 ILE C C 63 172.900 172.900 174.326 -1.426 25588 15812 1 20 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.479 -3.119 25588 15813 1 20 . 1 1 63 63 ILE CB C 63 36.860 36.860 42.005 -5.145 25588 15814 1 20 . 1 1 63 63 ILE H H 63 8.905 8.905 8.892 0.013 25588 15815 1 20 . 1 1 64 64 ASP N N 64 128.200 128.200 126.998 1.202 25588 15816 1 20 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.798 0.544 25588 15817 1 20 . 1 1 64 64 ASP C C 64 173.700 173.700 177.143 -3.443 25588 15818 1 20 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.893 -5.423 25588 15819 1 20 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.441 -1.791 25588 15820 1 20 . 1 1 64 64 ASP H H 64 8.778 8.778 8.825 -0.047 25588 15821 1 20 . 1 1 65 65 PHE N N 65 118.700 118.700 121.889 -3.189 25588 15822 1 20 . 1 1 65 65 PHE CA C 65 61.020 61.020 64.433 -3.413 25588 15823 1 20 . 1 1 65 65 PHE H H 65 8.903 8.903 9.235 -0.332 25588 15824 1 20 . 1 1 66 66 PRO C C 66 177.400 177.400 178.963 -1.563 25588 15825 1 20 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.501 -2.541 25588 15826 1 20 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.298 -3.238 25588 15827 1 20 . 1 1 67 67 GLU N N 67 117.600 117.600 117.294 0.306 25588 15828 1 20 . 1 1 67 67 GLU C C 67 176.100 176.100 178.859 -2.759 25588 15829 1 20 . 1 1 67 67 GLU CA C 67 56.070 56.070 59.349 -3.279 25588 15830 1 20 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.150 -2.400 25588 15831 1 20 . 1 1 67 67 GLU H H 67 7.894 7.894 8.487 -0.593 25588 15832 1 20 . 1 1 68 68 PHE N N 68 123.500 123.500 122.027 1.473 25588 15833 1 20 . 1 1 68 68 PHE C C 68 174.400 174.400 176.846 -2.446 25588 15834 1 20 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.276 -2.666 25588 15835 1 20 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.878 -1.358 25588 15836 1 20 . 1 1 68 68 PHE H H 68 8.826 8.826 8.300 0.526 25588 15837 1 20 . 1 1 69 69 LEU N N 69 119.000 119.000 119.197 -0.197 25588 15838 1 20 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.713 -0.380 25588 15839 1 20 . 1 1 69 69 LEU C C 69 176.600 176.600 179.087 -2.487 25588 15840 1 20 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.453 -3.103 25588 15841 1 20 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.445 -3.265 25588 15842 1 20 . 1 1 69 69 LEU H H 69 8.321 8.321 8.702 -0.381 25588 15843 1 20 . 1 1 70 70 THR N N 70 115.500 115.500 114.953 0.547 25588 15844 1 20 . 1 1 70 70 THR HA H 70 4.317 4.317 3.892 0.425 25588 15845 1 20 . 1 1 70 70 THR C C 70 173.400 173.400 176.357 -2.957 25588 15846 1 20 . 1 1 70 70 THR CA C 70 63.720 63.720 66.596 -2.876 25588 15847 1 20 . 1 1 70 70 THR CB C 70 65.630 65.630 68.489 -2.859 25588 15848 1 20 . 1 1 70 70 THR H H 70 7.476 7.476 7.545 -0.069 25588 15849 1 20 . 1 1 71 71 MET N N 71 121.700 121.700 121.469 0.231 25588 15850 1 20 . 1 1 71 71 MET HA H 71 3.758 3.758 3.948 -0.190 25588 15851 1 20 . 1 1 71 71 MET C C 71 175.600 175.600 177.644 -2.044 25588 15852 1 20 . 1 1 71 71 MET CA C 71 56.370 56.370 59.262 -2.892 25588 15853 1 20 . 1 1 71 71 MET CB C 71 30.590 30.590 32.517 -1.927 25588 15854 1 20 . 1 1 71 71 MET H H 71 7.774 7.774 8.052 -0.278 25588 15855 1 20 . 1 1 72 72 MET N N 72 116.900 116.900 117.178 -0.278 25588 15856 1 20 . 1 1 72 72 MET HA H 72 3.993 3.993 3.938 0.055 25588 15857 1 20 . 1 1 72 72 MET C C 72 175.900 175.900 178.420 -2.520 25588 15858 1 20 . 1 1 72 72 MET CA C 72 53.200 53.200 57.265 -4.065 25588 15859 1 20 . 1 1 72 72 MET CB C 72 28.520 28.520 30.872 -2.352 25588 15860 1 20 . 1 1 72 72 MET H H 72 8.082 8.082 8.189 -0.107 25588 15861 1 20 . 1 1 73 73 ALA N N 73 122.300 122.300 122.386 -0.086 25588 15862 1 20 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.953 0.121 25588 15863 1 20 . 1 1 73 73 ALA C C 73 177.200 177.200 179.352 -2.152 25588 15864 1 20 . 1 1 73 73 ALA CA C 73 51.970 51.970 54.998 -3.028 25588 15865 1 20 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.383 -2.643 25588 15866 1 20 . 1 1 73 73 ALA H H 73 8.149 8.149 8.135 0.014 25588 15867 1 20 . 1 1 74 74 ARG N N 74 116.600 116.600 117.512 -0.912 25588 15868 1 20 . 1 1 74 74 ARG C C 74 175.200 175.200 178.209 -3.009 25588 15869 1 20 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.545 -2.986 25588 15870 1 20 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.310 -2.660 25588 15871 1 20 . 1 1 74 74 ARG H H 74 7.564 7.564 7.503 0.061 25588 15872 1 20 . 1 1 75 75 LYS N N 75 118.800 118.800 116.826 1.974 25588 15873 1 20 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.156 0.039 25588 15874 1 20 . 1 1 75 75 LYS C C 75 175.100 175.100 177.541 -2.441 25588 15875 1 20 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.295 -2.565 25588 15876 1 20 . 1 1 75 75 LYS H H 75 7.668 7.668 8.118 -0.450 25588 15877 1 20 . 1 1 76 76 MET N N 76 118.300 118.300 119.147 -0.847 25588 15878 1 20 . 1 1 76 76 MET HA H 76 4.331 4.331 4.592 -0.261 25588 15879 1 20 . 1 1 76 76 MET C C 76 173.900 173.900 174.954 -1.054 25588 15880 1 20 . 1 1 76 76 MET CA C 76 54.010 54.010 52.893 1.117 25588 15881 1 20 . 1 1 76 76 MET H H 76 7.861 7.861 8.215 -0.354 25588 15882 1 20 . 1 1 77 77 LYS N N 77 120.200 120.200 123.868 -3.668 25588 15883 1 20 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.336 -0.038 25588 15884 1 20 . 1 1 77 77 LYS C C 77 173.800 173.800 176.582 -2.782 25588 15885 1 20 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.622 -1.552 25588 15886 1 20 . 1 1 77 77 LYS CB C 77 30.370 30.370 33.720 -3.350 25588 15887 1 20 . 1 1 77 77 LYS H H 77 7.797 7.797 8.415 -0.618 25588 15888 1 20 . 1 1 78 78 ASP N N 78 121.400 121.400 124.669 -3.269 25588 15889 1 20 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.413 0.260 25588 15890 1 20 . 1 1 78 78 ASP C C 78 173.900 173.900 177.520 -3.620 25588 15891 1 20 . 1 1 78 78 ASP CA C 78 51.900 51.900 54.862 -2.962 25588 15892 1 20 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.747 -3.237 25588 15893 1 20 . 1 1 78 78 ASP H H 78 8.191 8.191 8.608 -0.417 25588 15894 1 20 . 1 1 79 79 THR N N 79 114.600 114.600 111.851 2.749 25588 15895 1 20 . 1 1 79 79 THR HA H 79 4.263 4.263 3.975 0.288 25588 15896 1 20 . 1 1 79 79 THR C C 79 171.900 171.900 175.600 -3.700 25588 15897 1 20 . 1 1 79 79 THR CA C 79 59.510 59.510 65.352 -5.842 25588 15898 1 20 . 1 1 79 79 THR CB C 79 67.090 67.090 68.651 -1.562 25588 15899 1 20 . 1 1 79 79 THR H H 79 8.063 8.063 8.476 -0.413 25588 15900 1 20 . 1 1 80 80 ASP N N 80 123.100 123.100 121.925 1.175 25588 15901 1 20 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.496 0.216 25588 15902 1 20 . 1 1 80 80 ASP C C 80 173.900 173.900 178.198 -4.298 25588 15903 1 20 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.038 -4.138 25588 15904 1 20 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.565 -0.895 25588 15905 1 20 . 1 1 80 80 ASP H H 80 8.423 8.423 8.489 -0.066 25588 15906 1 20 . 1 1 81 81 SER N N 81 116.900 116.900 116.570 0.330 25588 15907 1 20 . 1 1 81 81 SER HA H 81 4.498 4.498 4.096 0.402 25588 15908 1 20 . 1 1 81 81 SER C C 81 172.700 172.700 175.762 -3.062 25588 15909 1 20 . 1 1 81 81 SER CA C 81 56.360 56.360 61.458 -5.098 25588 15910 1 20 . 1 1 81 81 SER CB C 81 61.310 61.310 63.032 -1.722 25588 15911 1 20 . 1 1 81 81 SER H H 81 8.357 8.357 8.268 0.089 25588 15912 1 20 . 1 1 82 82 GLU N N 82 122.800 122.800 122.171 0.629 25588 15913 1 20 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.865 0.263 25588 15914 1 20 . 1 1 82 82 GLU C C 82 175.300 175.300 178.268 -2.968 25588 15915 1 20 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.679 -3.409 25588 15916 1 20 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.491 -2.741 25588 15917 1 20 . 1 1 82 82 GLU H H 82 8.532 8.532 7.766 0.766 25588 15918 1 20 . 1 1 83 83 GLU N N 83 119.400 119.400 117.313 2.087 25588 15919 1 20 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.149 -0.115 25588 15920 1 20 . 1 1 83 83 GLU C C 83 176.000 176.000 179.485 -3.485 25588 15921 1 20 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.857 -1.787 25588 15922 1 20 . 1 1 83 83 GLU H H 83 8.365 8.365 7.665 0.700 25588 15923 1 20 . 1 1 84 84 GLU N N 84 118.700 118.700 120.272 -1.572 25588 15924 1 20 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.117 0.030 25588 15925 1 20 . 1 1 84 84 GLU C C 84 177.000 177.000 179.240 -2.240 25588 15926 1 20 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.799 -2.129 25588 15927 1 20 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.423 -2.623 25588 15928 1 20 . 1 1 84 84 GLU H H 84 8.073 8.073 7.785 0.288 25588 15929 1 20 . 1 1 85 85 ILE N N 85 122.200 122.200 119.116 3.084 25588 15930 1 20 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.763 0.231 25588 15931 1 20 . 1 1 85 85 ILE C C 85 175.300 175.300 177.310 -2.010 25588 15932 1 20 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.137 -2.007 25588 15933 1 20 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.550 -3.050 25588 15934 1 20 . 1 1 85 85 ILE H H 85 8.043 8.043 8.892 -0.849 25588 15935 1 20 . 1 1 86 86 ARG N N 86 121.700 121.700 120.249 1.451 25588 15936 1 20 . 1 1 86 86 ARG C C 86 176.700 176.700 178.326 -1.626 25588 15937 1 20 . 1 1 86 86 ARG CA C 86 57.360 57.360 60.322 -2.962 25588 15938 1 20 . 1 1 86 86 ARG CB C 86 27.050 27.050 30.103 -3.053 25588 15939 1 20 . 1 1 86 86 ARG H H 86 8.415 8.415 8.374 0.041 25588 15940 1 20 . 1 1 87 87 GLU N N 87 118.600 118.600 118.798 -0.198 25588 15941 1 20 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.169 -0.060 25588 15942 1 20 . 1 1 87 87 GLU C C 87 175.900 175.900 178.282 -2.382 25588 15943 1 20 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.921 -2.491 25588 15944 1 20 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.276 -2.727 25588 15945 1 20 . 1 1 87 87 GLU H H 87 8.056 8.056 7.803 0.253 25588 15946 1 20 . 1 1 88 88 ALA N N 88 122.000 122.000 122.304 -0.304 25588 15947 1 20 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.062 0.156 25588 15948 1 20 . 1 1 88 88 ALA C C 88 176.600 176.600 179.466 -2.866 25588 15949 1 20 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.917 -2.467 25588 15950 1 20 . 1 1 88 88 ALA CB C 88 15.300 15.300 17.840 -2.540 25588 15951 1 20 . 1 1 88 88 ALA H H 88 7.934 7.934 7.407 0.527 25588 15952 1 20 . 1 1 89 89 PHE N N 89 118.900 118.900 120.167 -1.267 25588 15953 1 20 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.206 -1.055 25588 15954 1 20 . 1 1 89 89 PHE C C 89 173.800 173.800 177.578 -3.778 25588 15955 1 20 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.965 -2.465 25588 15956 1 20 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.958 -2.588 25588 15957 1 20 . 1 1 89 89 PHE H H 89 8.537 8.537 8.081 0.456 25588 15958 1 20 . 1 1 90 90 ARG N N 90 115.600 115.600 118.887 -3.287 25588 15959 1 20 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.859 0.005 25588 15960 1 20 . 1 1 90 90 ARG C C 90 175.500 175.500 178.199 -2.699 25588 15961 1 20 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.104 -2.994 25588 15962 1 20 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.161 -2.511 25588 15963 1 20 . 1 1 90 90 ARG H H 90 7.656 7.656 7.706 -0.050 25588 15964 1 20 . 1 1 91 91 VAL N N 91 118.300 118.300 118.640 -0.340 25588 15965 1 20 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.696 -0.209 25588 15966 1 20 . 1 1 91 91 VAL C C 91 174.700 174.700 177.912 -3.212 25588 15967 1 20 . 1 1 91 91 VAL CA C 91 63.010 63.010 66.022 -3.012 25588 15968 1 20 . 1 1 91 91 VAL H H 91 7.496 7.496 7.628 -0.132 25588 15969 1 20 . 1 1 92 92 PHE N N 92 116.300 116.300 118.413 -2.113 25588 15970 1 20 . 1 1 92 92 PHE C C 92 174.300 174.300 175.884 -1.584 25588 15971 1 20 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.370 -2.960 25588 15972 1 20 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.687 -2.067 25588 15973 1 20 . 1 1 92 92 PHE H H 92 7.460 7.460 8.505 -1.045 25588 15974 1 20 . 1 1 93 93 ASP N N 93 116.900 116.900 118.130 -1.230 25588 15975 1 20 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.615 -0.111 25588 15976 1 20 . 1 1 93 93 ASP C C 93 174.900 174.900 175.849 -0.949 25588 15977 1 20 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.514 -2.974 25588 15978 1 20 . 1 1 93 93 ASP H H 93 7.821 7.821 8.151 -0.330 25588 15979 1 20 . 1 1 94 94 LYS N N 94 125.900 125.900 124.569 1.331 25588 15980 1 20 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.131 -0.243 25588 15981 1 20 . 1 1 94 94 LYS C C 94 175.700 175.700 177.655 -1.955 25588 15982 1 20 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.457 -2.047 25588 15983 1 20 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.649 -2.479 25588 15984 1 20 . 1 1 94 94 LYS H H 94 7.689 7.689 8.391 -0.702 25588 15985 1 20 . 1 1 95 95 ASP N N 95 114.000 114.000 117.270 -3.270 25588 15986 1 20 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.391 0.163 25588 15987 1 20 . 1 1 95 95 ASP C C 95 175.100 175.100 177.736 -2.636 25588 15988 1 20 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.447 -5.127 25588 15989 1 20 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.266 -3.276 25588 15990 1 20 . 1 1 95 95 ASP H H 95 8.179 8.179 8.163 0.016 25588 15991 1 20 . 1 1 96 96 GLY N N 96 109.300 109.300 109.676 -0.376 25588 15992 1 20 . 1 1 96 96 GLY C C 96 172.500 172.500 175.719 -3.219 25588 15993 1 20 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.527 -2.027 25588 15994 1 20 . 1 1 96 96 GLY H H 96 7.765 7.765 8.196 -0.431 25588 15995 1 20 . 1 1 97 97 ASN N N 97 119.600 119.600 122.524 -2.924 25588 15996 1 20 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.485 0.159 25588 15997 1 20 . 1 1 97 97 ASN C C 97 173.400 173.400 175.698 -2.298 25588 15998 1 20 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.283 -4.213 25588 15999 1 20 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.623 -3.103 25588 16000 1 20 . 1 1 97 97 ASN H H 97 8.302 8.302 8.458 -0.156 25588 16001 1 20 . 1 1 98 98 GLY N N 98 113.000 113.000 105.610 7.390 25588 16002 1 20 . 1 1 98 98 GLY C C 98 169.800 169.800 172.366 -2.566 25588 16003 1 20 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.077 -1.567 25588 16004 1 20 . 1 1 98 98 GLY H H 98 10.620 10.620 7.395 3.225 25588 16005 1 20 . 1 1 99 99 TYR N N 99 115.900 115.900 117.561 -1.661 25588 16006 1 20 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.738 0.298 25588 16007 1 20 . 1 1 99 99 TYR C C 99 171.900 171.900 175.775 -3.875 25588 16008 1 20 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.819 -3.429 25588 16009 1 20 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.232 -0.702 25588 16010 1 20 . 1 1 99 99 TYR H H 99 7.597 7.597 7.835 -0.238 25588 16011 1 20 . 1 1 100 100 ILE N N 100 127.400 127.400 123.748 3.652 25588 16012 1 20 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.470 0.309 25588 16013 1 20 . 1 1 100 100 ILE C C 100 172.900 172.900 176.147 -3.247 25588 16014 1 20 . 1 1 100 100 ILE CA C 100 57.660 57.660 60.748 -3.087 25588 16015 1 20 . 1 1 100 100 ILE CB C 100 35.950 35.950 39.003 -3.053 25588 16016 1 20 . 1 1 100 100 ILE H H 100 10.120 10.120 8.349 1.771 25588 16017 1 20 . 1 1 101 101 SER N N 101 123.800 123.800 123.107 0.693 25588 16018 1 20 . 1 1 101 101 SER C C 101 172.600 172.600 175.565 -2.965 25588 16019 1 20 . 1 1 101 101 SER CA C 101 53.180 53.180 57.064 -3.884 25588 16020 1 20 . 1 1 101 101 SER CB C 101 63.970 63.970 64.741 -0.771 25588 16021 1 20 . 1 1 101 101 SER H H 101 8.944 8.944 8.496 0.448 25588 16022 1 20 . 1 1 102 102 ALA N N 102 122.900 122.900 123.379 -0.479 25588 16023 1 20 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.055 -0.141 25588 16024 1 20 . 1 1 102 102 ALA C C 102 176.700 176.700 178.833 -2.133 25588 16025 1 20 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.405 -2.105 25588 16026 1 20 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.231 -2.781 25588 16027 1 20 . 1 1 102 102 ALA H H 102 9.178 9.178 8.781 0.397 25588 16028 1 20 . 1 1 103 103 ALA N N 103 118.400 118.400 120.605 -2.205 25588 16029 1 20 . 1 1 103 103 ALA C C 103 178.700 178.700 179.706 -1.006 25588 16030 1 20 . 1 1 103 103 ALA CA C 103 52.550 52.550 55.155 -2.605 25588 16031 1 20 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.215 -2.335 25588 16032 1 20 . 1 1 103 103 ALA H H 103 8.205 8.205 8.424 -0.219 25588 16033 1 20 . 1 1 104 104 GLU N N 104 119.700 119.700 118.243 1.457 25588 16034 1 20 . 1 1 104 104 GLU C C 104 176.600 176.600 178.947 -2.347 25588 16035 1 20 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.744 -2.104 25588 16036 1 20 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.590 -2.950 25588 16037 1 20 . 1 1 104 104 GLU H H 104 7.835 7.835 7.772 0.062 25588 16038 1 20 . 1 1 105 105 LEU N N 105 121.000 121.000 121.465 -0.465 25588 16039 1 20 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.110 -0.011 25588 16040 1 20 . 1 1 105 105 LEU C C 105 175.800 175.800 178.105 -2.305 25588 16041 1 20 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.765 -2.105 25588 16042 1 20 . 1 1 105 105 LEU CB C 105 34.560 34.560 42.010 -7.450 25588 16043 1 20 . 1 1 105 105 LEU H H 105 8.571 8.571 7.883 0.688 25588 16044 1 20 . 1 1 106 106 ARG N N 106 117.500 117.500 118.608 -1.108 25588 16045 1 20 . 1 1 106 106 ARG C C 106 176.000 176.000 177.801 -1.801 25588 16046 1 20 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.307 -3.078 25588 16047 1 20 . 1 1 106 106 ARG H H 106 8.522 8.522 8.261 0.261 25588 16048 1 20 . 1 1 107 107 HIS N N 107 119.000 119.000 117.058 1.942 25588 16049 1 20 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.375 -0.089 25588 16050 1 20 . 1 1 107 107 HIS C C 107 174.900 174.900 177.363 -2.463 25588 16051 1 20 . 1 1 107 107 HIS CA C 107 57.090 57.090 60.030 -2.940 25588 16052 1 20 . 1 1 107 107 HIS H H 107 7.889 7.889 7.932 -0.043 25588 16053 1 20 . 1 1 108 108 VAL N N 108 118.900 118.900 120.098 -1.198 25588 16054 1 20 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.647 -0.162 25588 16055 1 20 . 1 1 108 108 VAL C C 108 175.400 175.400 178.151 -2.751 25588 16056 1 20 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.177 -2.656 25588 16057 1 20 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.493 -2.293 25588 16058 1 20 . 1 1 108 108 VAL H H 108 7.958 7.958 7.375 0.583 25588 16059 1 20 . 1 1 109 109 MET N N 109 116.400 116.400 117.956 -1.556 25588 16060 1 20 . 1 1 109 109 MET HA H 109 4.331 4.331 4.171 0.160 25588 16061 1 20 . 1 1 109 109 MET C C 109 176.000 176.000 178.857 -2.857 25588 16062 1 20 . 1 1 109 109 MET CA C 109 54.910 54.910 58.052 -3.142 25588 16063 1 20 . 1 1 109 109 MET CB C 109 28.750 28.750 31.287 -2.537 25588 16064 1 20 . 1 1 109 109 MET H H 109 8.247 8.247 8.479 -0.232 25588 16065 1 20 . 1 1 110 110 THR N N 110 114.900 114.900 115.620 -0.720 25588 16066 1 20 . 1 1 110 110 THR HA H 110 4.152 4.152 4.177 -0.025 25588 16067 1 20 . 1 1 110 110 THR C C 110 175.000 175.000 175.854 -0.854 25588 16068 1 20 . 1 1 110 110 THR CA C 110 63.270 63.270 66.001 -2.731 25588 16069 1 20 . 1 1 110 110 THR CB C 110 66.230 66.230 68.611 -2.381 25588 16070 1 20 . 1 1 110 110 THR H H 110 8.125 8.125 8.007 0.118 25588 16071 1 20 . 1 1 111 111 ASN N N 111 122.200 122.200 118.423 3.777 25588 16072 1 20 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.400 0.037 25588 16073 1 20 . 1 1 111 111 ASN C C 111 173.700 173.700 177.537 -3.837 25588 16074 1 20 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.484 -2.414 25588 16075 1 20 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.450 -2.630 25588 16076 1 20 . 1 1 111 111 ASN H H 111 7.867 7.867 7.449 0.418 25588 16077 1 20 . 1 1 112 112 LEU N N 112 119.100 119.100 118.941 0.159 25588 16078 1 20 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.086 0.247 25588 16079 1 20 . 1 1 112 112 LEU C C 112 174.700 174.700 176.910 -2.210 25588 16080 1 20 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.536 -3.776 25588 16081 1 20 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.650 -3.200 25588 16082 1 20 . 1 1 112 112 LEU H H 112 7.850 7.850 7.347 0.503 25588 16083 1 20 . 1 1 113 113 GLY N N 113 106.800 106.800 104.094 2.706 25588 16084 1 20 . 1 1 113 113 GLY C C 113 171.700 171.700 172.224 -0.524 25588 16085 1 20 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.087 -2.297 25588 16086 1 20 . 1 1 113 113 GLY H H 113 7.830 7.830 7.453 0.377 25588 16087 1 20 . 1 1 114 114 GLU N N 114 120.600 120.600 119.737 0.863 25588 16088 1 20 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.666 -0.266 25588 16089 1 20 . 1 1 114 114 GLU C C 114 172.800 172.800 177.132 -4.332 25588 16090 1 20 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.036 -3.366 25588 16091 1 20 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.259 -2.299 25588 16092 1 20 . 1 1 114 114 GLU H H 114 7.914 7.914 8.668 -0.754 25588 16093 1 20 . 1 1 115 115 LYS N N 115 124.000 124.000 119.602 4.398 25588 16094 1 20 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.149 0.208 25588 16095 1 20 . 1 1 115 115 LYS C C 115 173.000 173.000 176.281 -3.281 25588 16096 1 20 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.501 -5.481 25588 16097 1 20 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.906 -3.496 25588 16098 1 20 . 1 1 115 115 LYS H H 115 8.505 8.505 8.470 0.035 25588 16099 1 20 . 1 1 116 116 LEU N N 116 125.000 125.000 116.935 8.065 25588 16100 1 20 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.579 0.180 25588 16101 1 20 . 1 1 116 116 LEU C C 116 175.300 175.300 176.669 -1.369 25588 16102 1 20 . 1 1 116 116 LEU CA C 116 51.420 51.420 52.788 -1.368 25588 16103 1 20 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.969 -1.859 25588 16104 1 20 . 1 1 116 116 LEU H H 116 8.076 8.076 7.673 0.403 25588 16105 1 20 . 1 1 117 117 THR N N 117 114.500 114.500 111.130 3.370 25588 16106 1 20 . 1 1 117 117 THR HA H 117 4.453 4.453 4.251 0.202 25588 16107 1 20 . 1 1 117 117 THR C C 117 172.800 172.800 174.341 -1.541 25588 16108 1 20 . 1 1 117 117 THR CA C 117 57.970 57.970 61.860 -3.890 25588 16109 1 20 . 1 1 117 117 THR CB C 117 68.610 68.610 69.918 -1.308 25588 16110 1 20 . 1 1 117 117 THR H H 117 9.116 9.116 8.300 0.816 25588 16111 1 20 . 1 1 118 118 ASP N N 118 121.000 121.000 119.051 1.949 25588 16112 1 20 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.645 -0.449 25588 16113 1 20 . 1 1 118 118 ASP C C 118 175.900 175.900 177.721 -1.821 25588 16114 1 20 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.167 -0.807 25588 16115 1 20 . 1 1 118 118 ASP CB C 118 37.110 37.110 41.016 -3.906 25588 16116 1 20 . 1 1 118 118 ASP H H 118 8.847 8.847 8.623 0.224 25588 16117 1 20 . 1 1 119 119 GLU N N 119 119.100 119.100 119.362 -0.262 25588 16118 1 20 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.435 -0.365 25588 16119 1 20 . 1 1 119 119 GLU C C 119 176.500 176.500 177.529 -1.029 25588 16120 1 20 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.611 -1.331 25588 16121 1 20 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.559 -3.129 25588 16122 1 20 . 1 1 119 119 GLU H H 119 8.626 8.626 8.456 0.170 25588 16123 1 20 . 1 1 120 120 GLU N N 120 120.500 120.500 118.461 2.039 25588 16124 1 20 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.045 -0.055 25588 16125 1 20 . 1 1 120 120 GLU C C 120 177.400 177.400 178.687 -1.287 25588 16126 1 20 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.387 -2.797 25588 16127 1 20 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.134 -0.344 25588 16128 1 20 . 1 1 120 120 GLU H H 120 7.724 7.724 8.835 -1.111 25588 16129 1 20 . 1 1 121 121 VAL N N 121 121.100 121.100 115.454 5.646 25588 16130 1 20 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.771 -0.184 25588 16131 1 20 . 1 1 121 121 VAL C C 121 174.600 174.600 177.620 -3.020 25588 16132 1 20 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.823 -1.513 25588 16133 1 20 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.424 -3.044 25588 16134 1 20 . 1 1 121 121 VAL H H 121 8.062 8.062 7.759 0.303 25588 16135 1 20 . 1 1 122 122 ASP N N 122 119.600 119.600 121.470 -1.870 25588 16136 1 20 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.268 0.041 25588 16137 1 20 . 1 1 122 122 ASP C C 122 176.500 176.500 179.039 -2.539 25588 16138 1 20 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.404 -2.404 25588 16139 1 20 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.047 -2.147 25588 16140 1 20 . 1 1 122 122 ASP H H 122 8.007 8.007 7.890 0.117 25588 16141 1 20 . 1 1 123 123 GLU N N 123 119.300 119.300 119.091 0.209 25588 16142 1 20 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.108 -0.110 25588 16143 1 20 . 1 1 123 123 GLU C C 123 175.400 175.400 178.887 -3.487 25588 16144 1 20 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.386 -1.726 25588 16145 1 20 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.467 -2.677 25588 16146 1 20 . 1 1 123 123 GLU H H 123 7.967 7.967 8.060 -0.093 25588 16147 1 20 . 1 1 124 124 MET N N 124 119.600 119.600 121.247 -1.647 25588 16148 1 20 . 1 1 124 124 MET HA H 124 4.033 4.033 4.364 -0.331 25588 16149 1 20 . 1 1 124 124 MET C C 124 176.500 176.500 178.700 -2.200 25588 16150 1 20 . 1 1 124 124 MET CA C 124 56.970 56.970 58.455 -1.485 25588 16151 1 20 . 1 1 124 124 MET CB C 124 30.470 30.470 32.364 -1.894 25588 16152 1 20 . 1 1 124 124 MET H H 124 7.789 7.789 8.162 -0.373 25588 16153 1 20 . 1 1 125 125 ILE N N 125 118.500 118.500 116.731 1.769 25588 16154 1 20 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.798 -0.299 25588 16155 1 20 . 1 1 125 125 ILE C C 125 174.600 174.600 177.376 -2.776 25588 16156 1 20 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.464 -2.274 25588 16157 1 20 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.641 -4.131 25588 16158 1 20 . 1 1 125 125 ILE H H 125 7.940 7.940 8.361 -0.421 25588 16159 1 20 . 1 1 126 126 ARG N N 126 118.300 118.300 119.627 -1.327 25588 16160 1 20 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.098 -0.090 25588 16161 1 20 . 1 1 126 126 ARG C C 126 176.800 176.800 178.153 -1.353 25588 16162 1 20 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.006 -1.906 25588 16163 1 20 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.665 -3.095 25588 16164 1 20 . 1 1 126 126 ARG H H 126 8.168 8.168 7.491 0.677 25588 16165 1 20 . 1 1 127 127 GLU N N 127 116.300 116.300 118.955 -2.655 25588 16166 1 20 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.183 -0.200 25588 16167 1 20 . 1 1 127 127 GLU C C 127 174.700 174.700 177.897 -3.197 25588 16168 1 20 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.687 -2.807 25588 16169 1 20 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.755 -2.815 25588 16170 1 20 . 1 1 127 127 GLU H H 127 7.918 7.918 8.395 -0.477 25588 16171 1 20 . 1 1 128 128 ALA N N 128 119.100 119.100 120.858 -1.758 25588 16172 1 20 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.008 0.410 25588 16173 1 20 . 1 1 128 128 ALA CA C 128 49.510 49.510 54.130 -4.620 25588 16174 1 20 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.971 -0.231 25588 16175 1 20 . 1 1 128 128 ALA H H 128 7.354 7.354 7.581 -0.227 25588 16176 1 20 . 1 1 129 129 ASP N N 129 117.400 117.400 118.268 -0.868 25588 16177 1 20 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.643 -0.141 25588 16178 1 20 . 1 1 129 129 ASP C C 129 173.400 173.400 176.528 -3.128 25588 16179 1 20 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.275 -1.865 25588 16180 1 20 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.106 -4.406 25588 16181 1 20 . 1 1 129 129 ASP H H 129 7.871 7.871 7.683 0.188 25588 16182 1 20 . 1 1 130 130 ILE N N 130 128.000 128.000 119.749 8.251 25588 16183 1 20 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.122 -0.205 25588 16184 1 20 . 1 1 130 130 ILE C C 130 175.300 175.300 176.241 -0.941 25588 16185 1 20 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.028 -0.318 25588 16186 1 20 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.378 -1.568 25588 16187 1 20 . 1 1 130 130 ILE H H 130 8.384 8.384 8.408 -0.024 25588 16188 1 20 . 1 1 131 131 ASP N N 131 116.800 116.800 122.342 -5.542 25588 16189 1 20 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.467 0.083 25588 16190 1 20 . 1 1 131 131 ASP C C 131 175.600 175.600 177.759 -2.159 25588 16191 1 20 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.368 -5.148 25588 16192 1 20 . 1 1 131 131 ASP CB C 131 37.230 37.230 40.820 -3.590 25588 16193 1 20 . 1 1 131 131 ASP H H 131 8.281 8.281 8.800 -0.519 25588 16194 1 20 . 1 1 132 132 GLY N N 132 108.500 108.500 108.420 0.080 25588 16195 1 20 . 1 1 132 132 GLY C C 132 172.600 172.600 174.864 -2.264 25588 16196 1 20 . 1 1 132 132 GLY CA C 132 44.850 44.850 45.739 -0.889 25588 16197 1 20 . 1 1 132 132 GLY H H 132 7.575 7.575 8.185 -0.610 25588 16198 1 20 . 1 1 133 133 ASP N N 133 120.800 120.800 118.819 1.981 25588 16199 1 20 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.558 -0.094 25588 16200 1 20 . 1 1 133 133 ASP C C 133 174.900 174.900 176.984 -2.084 25588 16201 1 20 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.731 -2.741 25588 16202 1 20 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.297 -2.707 25588 16203 1 20 . 1 1 133 133 ASP H H 133 8.326 8.326 8.090 0.236 25588 16204 1 20 . 1 1 134 134 GLY N N 134 112.900 112.900 109.046 3.854 25588 16205 1 20 . 1 1 134 134 GLY C C 134 170.200 170.200 173.310 -3.110 25588 16206 1 20 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.983 -2.933 25588 16207 1 20 . 1 1 134 134 GLY H H 134 10.310 10.310 8.418 1.892 25588 16208 1 20 . 1 1 135 135 GLN N N 135 115.400 115.400 122.172 -6.772 25588 16209 1 20 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.602 0.258 25588 16210 1 20 . 1 1 135 135 GLN C C 135 172.100 172.100 173.697 -1.597 25588 16211 1 20 . 1 1 135 135 GLN CA C 135 50.530 50.530 53.957 -3.427 25588 16212 1 20 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.198 -2.178 25588 16213 1 20 . 1 1 135 135 GLN H H 135 7.937 7.937 8.171 -0.234 25588 16214 1 20 . 1 1 136 136 VAL N N 136 125.500 125.500 122.793 2.707 25588 16215 1 20 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.566 0.624 25588 16216 1 20 . 1 1 136 136 VAL C C 136 173.200 173.200 174.881 -1.681 25588 16217 1 20 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.806 -1.706 25588 16218 1 20 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.068 -3.148 25588 16219 1 20 . 1 1 136 136 VAL H H 136 9.112 9.112 8.486 0.626 25588 16220 1 20 . 1 1 137 137 ASN N N 137 129.000 129.000 122.951 6.049 25588 16221 1 20 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.246 -0.014 25588 16222 1 20 . 1 1 137 137 ASN C C 137 172.200 172.200 174.974 -2.774 25588 16223 1 20 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.928 -3.468 25588 16224 1 20 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.868 -6.178 25588 16225 1 20 . 1 1 137 137 ASN H H 137 9.509 9.509 7.862 1.647 25588 16226 1 20 . 1 1 138 138 TYR N N 138 118.400 118.400 122.958 -4.558 25588 16227 1 20 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.441 -1.017 25588 16228 1 20 . 1 1 138 138 TYR C C 138 173.500 173.500 177.107 -3.607 25588 16229 1 20 . 1 1 138 138 TYR CA C 138 60.030 60.030 63.017 -2.987 25588 16230 1 20 . 1 1 138 138 TYR H H 138 8.420 8.420 9.238 -0.818 25588 16231 1 20 . 1 1 139 139 GLU N N 139 118.400 118.400 116.300 2.100 25588 16232 1 20 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.936 -0.295 25588 16233 1 20 . 1 1 139 139 GLU C C 139 177.900 177.900 179.045 -1.145 25588 16234 1 20 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.016 -2.276 25588 16235 1 20 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.546 -2.156 25588 16236 1 20 . 1 1 139 139 GLU H H 139 8.066 8.066 9.207 -1.141 25588 16237 1 20 . 1 1 140 140 GLU N N 140 119.900 119.900 119.637 0.263 25588 16238 1 20 . 1 1 140 140 GLU C C 140 176.700 176.700 178.312 -1.612 25588 16239 1 20 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.107 -2.207 25588 16240 1 20 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.734 -2.534 25588 16241 1 20 . 1 1 140 140 GLU H H 140 8.728 8.728 7.505 1.223 25588 16242 1 20 . 1 1 141 141 PHE N N 141 124.600 124.600 120.741 3.859 25588 16243 1 20 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.155 -0.171 25588 16244 1 20 . 1 1 141 141 PHE C C 141 174.200 174.200 177.500 -3.300 25588 16245 1 20 . 1 1 141 141 PHE CA C 141 58.960 58.960 62.115 -3.155 25588 16246 1 20 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.535 -1.265 25588 16247 1 20 . 1 1 141 141 PHE H H 141 8.920 8.920 7.815 1.105 25588 16248 1 20 . 1 1 142 142 VAL N N 142 119.300 119.300 117.515 1.785 25588 16249 1 20 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.514 -0.393 25588 16250 1 20 . 1 1 142 142 VAL C C 142 176.900 176.900 177.415 -0.515 25588 16251 1 20 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.435 -2.005 25588 16252 1 20 . 1 1 142 142 VAL H H 142 8.536 8.536 7.538 0.998 25588 16253 1 20 . 1 1 143 143 GLN N N 143 118.200 118.200 117.287 0.913 25588 16254 1 20 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.066 -0.215 25588 16255 1 20 . 1 1 143 143 GLN C C 143 175.300 175.300 177.950 -2.650 25588 16256 1 20 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.779 -1.519 25588 16257 1 20 . 1 1 143 143 GLN H H 143 7.404 7.404 7.422 -0.018 25588 16258 1 20 . 1 1 144 144 MET N N 144 119.400 119.400 118.701 0.699 25588 16259 1 20 . 1 1 144 144 MET HA H 144 4.107 4.107 4.242 -0.135 25588 16260 1 20 . 1 1 144 144 MET C C 144 175.400 175.400 176.726 -1.326 25588 16261 1 20 . 1 1 144 144 MET CA C 144 55.500 55.500 58.301 -2.801 25588 16262 1 20 . 1 1 144 144 MET CB C 144 30.460 30.460 33.617 -3.157 25588 16263 1 20 . 1 1 144 144 MET H H 144 7.878 7.878 7.890 -0.012 25588 16264 1 20 . 1 1 145 145 MET N N 145 115.000 115.000 118.437 -3.437 25588 16265 1 20 . 1 1 145 145 MET HA H 145 4.281 4.281 4.478 -0.197 25588 16266 1 20 . 1 1 145 145 MET C C 145 174.900 174.900 174.777 0.123 25588 16267 1 20 . 1 1 145 145 MET CA C 145 52.740 52.740 56.197 -3.457 25588 16268 1 20 . 1 1 145 145 MET H H 145 7.852 7.852 7.923 -0.071 25588 16269 1 20 . 1 1 146 146 THR N N 146 111.100 111.100 120.319 -9.219 25588 16270 1 20 . 1 1 146 146 THR HA H 146 4.306 4.306 4.449 -0.143 25588 16271 1 20 . 1 1 146 146 THR C C 146 171.600 171.600 173.277 -1.677 25588 16272 1 20 . 1 1 146 146 THR CA C 146 59.830 59.830 62.572 -2.742 25588 16273 1 20 . 1 1 146 146 THR CB C 146 67.510 67.510 69.646 -2.136 25588 16274 1 20 . 1 1 146 146 THR H H 146 7.571 7.571 8.413 -0.842 25588 16275 1 20 . 1 1 147 147 ALA N N 147 126.300 126.300 129.399 -3.099 25588 16276 1 20 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.038 0.262 25588 16277 1 20 . 1 1 147 147 ALA C C 147 174.000 174.000 176.909 -2.909 25588 16278 1 20 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.314 -4.124 25588 16279 1 20 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.413 -2.933 25588 16280 1 20 . 1 1 147 147 ALA H H 147 7.723 7.723 8.085 -0.362 25588 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 143 3.074 -0.265 3.073 25588 2 1 1 "Average Difference" HA 142 0.327 -0.015 0.327 25588 3 1 1 "Average Difference" C 142 2.529 2.352 0.932 25588 4 1 1 "Average Difference" CA 146 3.068 2.779 1.306 25588 5 1 1 "Average Difference" CB 118 2.845 2.609 1.138 25588 6 1 1 "Average Difference" HN 144 0.700 -0.166 0.682 25588 7 1 2 "Average Difference" N 143 3.142 -0.257 3.142 25588 8 1 2 "Average Difference" HA 142 0.327 -0.022 0.328 25588 9 1 2 "Average Difference" C 142 2.513 2.340 0.917 25588 10 1 2 "Average Difference" CA 146 3.085 2.798 1.304 25588 11 1 2 "Average Difference" CB 118 2.855 2.632 1.111 25588 12 1 2 "Average Difference" HN 144 0.680 -0.143 0.667 25588 13 1 3 "Average Difference" N 143 2.972 -0.264 2.971 25588 14 1 3 "Average Difference" HA 142 0.327 -0.044 0.325 25588 15 1 3 "Average Difference" C 142 2.537 2.367 0.916 25588 16 1 3 "Average Difference" CA 146 3.062 2.789 1.268 25588 17 1 3 "Average Difference" CB 118 2.810 2.559 1.166 25588 18 1 3 "Average Difference" HN 144 0.717 -0.151 0.704 25588 19 1 4 "Average Difference" N 143 3.062 -0.230 3.065 25588 20 1 4 "Average Difference" HA 142 0.339 -0.034 0.339 25588 21 1 4 "Average Difference" C 142 2.556 2.385 0.922 25588 22 1 4 "Average Difference" CA 146 3.108 2.827 1.297 25588 23 1 4 "Average Difference" CB 118 2.825 2.589 1.135 25588 24 1 4 "Average Difference" HN 144 0.716 -0.169 0.698 25588 25 1 5 "Average Difference" N 143 3.112 -0.254 3.112 25588 26 1 5 "Average Difference" HA 142 0.309 -0.038 0.308 25588 27 1 5 "Average Difference" C 142 2.538 2.348 0.967 25588 28 1 5 "Average Difference" CA 146 3.040 2.730 1.343 25588 29 1 5 "Average Difference" CB 118 2.823 2.586 1.136 25588 30 1 5 "Average Difference" HN 144 0.717 -0.140 0.706 25588 31 1 6 "Average Difference" N 143 3.073 -0.271 3.072 25588 32 1 6 "Average Difference" HA 142 0.327 -0.015 0.328 25588 33 1 6 "Average Difference" C 142 2.533 2.356 0.933 25588 34 1 6 "Average Difference" CA 146 3.068 2.778 1.305 25588 35 1 6 "Average Difference" CB 118 2.842 2.606 1.138 25588 36 1 6 "Average Difference" HN 144 0.699 -0.164 0.682 25588 37 1 7 "Average Difference" N 143 3.075 -0.308 3.070 25588 38 1 7 "Average Difference" HA 142 0.335 -0.026 0.335 25588 39 1 7 "Average Difference" C 142 2.510 2.326 0.945 25588 40 1 7 "Average Difference" CA 146 3.084 2.785 1.328 25588 41 1 7 "Average Difference" CB 118 2.861 2.635 1.120 25588 42 1 7 "Average Difference" HN 144 0.700 -0.160 0.683 25588 43 1 8 "Average Difference" N 143 3.142 -0.257 3.142 25588 44 1 8 "Average Difference" HA 142 0.327 -0.022 0.328 25588 45 1 8 "Average Difference" C 142 2.513 2.340 0.917 25588 46 1 8 "Average Difference" CA 146 3.085 2.798 1.304 25588 47 1 8 "Average Difference" CB 118 2.855 2.632 1.111 25588 48 1 8 "Average Difference" HN 144 0.680 -0.143 0.667 25588 49 1 9 "Average Difference" N 143 3.112 -0.253 3.112 25588 50 1 9 "Average Difference" HA 142 0.309 -0.038 0.308 25588 51 1 9 "Average Difference" C 142 2.538 2.348 0.967 25588 52 1 9 "Average Difference" CA 146 3.041 2.730 1.343 25588 53 1 9 "Average Difference" CB 118 2.823 2.586 1.136 25588 54 1 9 "Average Difference" HN 144 0.717 -0.140 0.706 25588 55 1 10 "Average Difference" N 143 2.976 -0.365 2.963 25588 56 1 10 "Average Difference" HA 142 0.319 -0.046 0.317 25588 57 1 10 "Average Difference" C 142 2.519 2.332 0.955 25588 58 1 10 "Average Difference" CA 146 3.085 2.785 1.330 25588 59 1 10 "Average Difference" CB 118 2.837 2.582 1.180 25588 60 1 10 "Average Difference" HN 144 0.696 -0.170 0.678 25588 61 1 11 "Average Difference" N 143 3.074 -0.265 3.073 25588 62 1 11 "Average Difference" HA 142 0.327 -0.015 0.327 25588 63 1 11 "Average Difference" C 142 2.529 2.352 0.933 25588 64 1 11 "Average Difference" CA 146 3.068 2.778 1.306 25588 65 1 11 "Average Difference" CB 118 2.845 2.609 1.138 25588 66 1 11 "Average Difference" HN 144 0.700 -0.166 0.682 25588 67 1 12 "Average Difference" N 143 3.075 -0.308 3.070 25588 68 1 12 "Average Difference" HA 142 0.335 -0.026 0.335 25588 69 1 12 "Average Difference" C 142 2.509 2.326 0.945 25588 70 1 12 "Average Difference" CA 146 3.084 2.785 1.328 25588 71 1 12 "Average Difference" CB 118 2.861 2.635 1.120 25588 72 1 12 "Average Difference" HN 144 0.699 -0.160 0.683 25588 73 1 13 "Average Difference" N 143 2.973 -0.367 2.961 25588 74 1 13 "Average Difference" HA 142 0.319 -0.046 0.317 25588 75 1 13 "Average Difference" C 142 2.520 2.334 0.953 25588 76 1 13 "Average Difference" CA 146 3.085 2.786 1.330 25588 77 1 13 "Average Difference" CB 118 2.837 2.582 1.180 25588 78 1 13 "Average Difference" HN 144 0.696 -0.170 0.678 25588 79 1 14 "Average Difference" N 143 3.005 -0.354 2.995 25588 80 1 14 "Average Difference" HA 142 0.336 -0.030 0.336 25588 81 1 14 "Average Difference" C 142 2.520 2.343 0.933 25588 82 1 14 "Average Difference" CA 146 3.111 2.806 1.349 25588 83 1 14 "Average Difference" CB 118 2.873 2.612 1.202 25588 84 1 14 "Average Difference" HN 144 0.681 -0.148 0.667 25588 85 1 15 "Average Difference" N 143 3.142 -0.104 3.151 25588 86 1 15 "Average Difference" HA 142 0.331 -0.025 0.332 25588 87 1 15 "Average Difference" C 142 2.521 2.349 0.919 25588 88 1 15 "Average Difference" CA 146 3.115 2.815 1.339 25588 89 1 15 "Average Difference" CB 118 2.868 2.629 1.151 25588 90 1 15 "Average Difference" HN 144 0.694 -0.120 0.686 25588 91 1 16 "Average Difference" N 143 3.073 -0.271 3.072 25588 92 1 16 "Average Difference" HA 142 0.327 -0.015 0.328 25588 93 1 16 "Average Difference" C 142 2.532 2.356 0.933 25588 94 1 16 "Average Difference" CA 146 3.068 2.778 1.305 25588 95 1 16 "Average Difference" CB 118 2.842 2.606 1.138 25588 96 1 16 "Average Difference" HN 144 0.699 -0.164 0.682 25588 97 1 17 "Average Difference" N 143 3.075 -0.308 3.071 25588 98 1 17 "Average Difference" HA 142 0.335 -0.026 0.335 25588 99 1 17 "Average Difference" C 142 2.509 2.326 0.945 25588 100 1 17 "Average Difference" CA 146 3.084 2.785 1.328 25588 101 1 17 "Average Difference" CB 118 2.861 2.635 1.120 25588 102 1 17 "Average Difference" HN 144 0.700 -0.160 0.684 25588 103 1 18 "Average Difference" N 143 2.973 -0.367 2.961 25588 104 1 18 "Average Difference" HA 142 0.319 -0.046 0.317 25588 105 1 18 "Average Difference" C 142 2.520 2.334 0.953 25588 106 1 18 "Average Difference" CA 146 3.085 2.786 1.330 25588 107 1 18 "Average Difference" CB 118 2.836 2.582 1.180 25588 108 1 18 "Average Difference" HN 144 0.696 -0.170 0.678 25588 109 1 19 "Average Difference" N 143 3.005 -0.354 2.994 25588 110 1 19 "Average Difference" HA 142 0.336 -0.030 0.336 25588 111 1 19 "Average Difference" C 142 2.520 2.343 0.933 25588 112 1 19 "Average Difference" CA 146 3.111 2.806 1.349 25588 113 1 19 "Average Difference" CB 118 2.873 2.612 1.202 25588 114 1 19 "Average Difference" HN 144 0.681 -0.148 0.667 25588 115 1 20 "Average Difference" N 143 3.142 -0.104 3.151 25588 116 1 20 "Average Difference" HA 142 0.331 -0.025 0.332 25588 117 1 20 "Average Difference" C 142 2.521 2.349 0.919 25588 118 1 20 "Average Difference" CA 146 3.115 2.815 1.339 25588 119 1 20 "Average Difference" CB 118 2.868 2.629 1.151 25588 120 1 20 "Average Difference" HN 144 0.694 -0.120 0.686 25588 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 25588 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP N N 2 118.400 118.400 121.424 -3.024 25588 2 1 . 1 1 2 2 ASP HA H 2 4.614 4.614 4.740 -0.126 25588 3 1 . 1 1 2 2 ASP C C 2 173.000 173.000 176.292 -3.292 25588 4 1 . 1 1 2 2 ASP CA C 2 52.020 52.020 54.026 -2.006 25588 5 1 . 1 1 2 2 ASP CB C 2 38.820 38.820 41.389 -2.569 25588 6 1 . 1 1 2 2 ASP H H 2 8.311 8.311 8.377 -0.066 25588 7 1 . 1 1 3 3 GLN HA H 3 4.354 4.354 4.227 0.127 25588 8 1 . 1 1 3 3 GLN C C 3 173.000 173.000 175.675 -2.675 25588 9 1 . 1 1 3 3 GLN CA C 3 52.910 52.910 56.234 -3.324 25588 10 1 . 1 1 3 3 GLN CB C 3 27.150 27.150 29.671 -2.521 25588 11 1 . 1 1 3 3 GLN H H 3 8.321 8.321 8.609 -0.288 25588 12 1 . 1 1 4 4 LEU N N 4 123.200 123.200 121.168 2.032 25588 13 1 . 1 1 4 4 LEU HA H 4 4.650 4.650 4.705 -0.055 25588 14 1 . 1 1 4 4 LEU C C 4 175.100 175.100 175.754 -0.654 25588 15 1 . 1 1 4 4 LEU CA C 4 51.790 51.790 54.283 -2.493 25588 16 1 . 1 1 4 4 LEU CB C 4 40.860 40.860 43.271 -2.410 25588 17 1 . 1 1 4 4 LEU H H 4 8.268 8.268 8.128 0.140 25588 18 1 . 1 1 5 5 THR N N 5 113.000 113.000 116.308 -3.308 25588 19 1 . 1 1 5 5 THR HA H 5 4.754 4.754 4.607 0.147 25588 20 1 . 1 1 5 5 THR C C 5 172.800 172.800 174.891 -2.091 25588 21 1 . 1 1 5 5 THR CA C 5 57.880 57.880 60.148 -2.268 25588 22 1 . 1 1 5 5 THR CB C 5 68.480 68.480 71.551 -3.071 25588 23 1 . 1 1 5 5 THR H H 5 8.682 8.682 8.087 0.595 25588 24 1 . 1 1 6 6 GLU N N 6 120.500 120.500 122.116 -1.616 25588 25 1 . 1 1 6 6 GLU HA H 6 3.963 3.963 4.024 -0.061 25588 26 1 . 1 1 6 6 GLU C C 6 176.800 176.800 178.184 -1.384 25588 27 1 . 1 1 6 6 GLU CA C 6 57.430 57.430 59.342 -1.912 25588 28 1 . 1 1 6 6 GLU CB C 6 26.520 26.520 29.550 -3.030 25588 29 1 . 1 1 6 6 GLU H H 6 8.990 8.990 8.976 0.014 25588 30 1 . 1 1 7 7 GLU N N 7 119.600 119.600 118.651 0.949 25588 31 1 . 1 1 7 7 GLU HA H 7 4.069 4.069 4.002 0.067 25588 32 1 . 1 1 7 7 GLU C C 7 176.500 176.500 179.022 -2.522 25588 33 1 . 1 1 7 7 GLU CA C 7 57.380 57.380 59.409 -2.029 25588 34 1 . 1 1 7 7 GLU CB C 7 26.430 26.430 29.280 -2.850 25588 35 1 . 1 1 7 7 GLU H H 7 8.668 8.668 8.670 -0.002 25588 36 1 . 1 1 8 8 GLN N N 8 120.100 120.100 118.117 1.983 25588 37 1 . 1 1 8 8 GLN HA H 8 3.869 3.869 4.158 -0.289 25588 38 1 . 1 1 8 8 GLN C C 8 175.700 175.700 178.846 -3.146 25588 39 1 . 1 1 8 8 GLN CA C 8 55.950 55.950 58.583 -2.633 25588 40 1 . 1 1 8 8 GLN CB C 8 26.810 26.810 28.808 -1.998 25588 41 1 . 1 1 8 8 GLN H H 8 7.721 7.721 7.578 0.143 25588 42 1 . 1 1 9 9 ILE N N 9 119.600 119.600 119.877 -0.277 25588 43 1 . 1 1 9 9 ILE HA H 9 3.712 3.712 3.849 -0.137 25588 44 1 . 1 1 9 9 ILE C C 9 175.100 175.100 177.874 -2.774 25588 45 1 . 1 1 9 9 ILE CA C 9 63.530 63.530 64.593 -1.063 25588 46 1 . 1 1 9 9 ILE CB C 9 35.080 35.080 37.836 -2.756 25588 47 1 . 1 1 9 9 ILE H H 9 8.373 8.373 7.435 0.938 25588 48 1 . 1 1 10 10 ALA N N 10 121.300 121.300 122.188 -0.888 25588 49 1 . 1 1 10 10 ALA C C 10 178.400 178.400 179.213 -0.813 25588 50 1 . 1 1 10 10 ALA CA C 10 52.790 52.790 55.279 -2.489 25588 51 1 . 1 1 10 10 ALA CB C 10 15.360 15.360 17.921 -2.561 25588 52 1 . 1 1 10 10 ALA H H 10 7.984 7.984 8.358 -0.374 25588 53 1 . 1 1 11 11 GLU N N 11 119.500 119.500 119.319 0.181 25588 54 1 . 1 1 11 11 GLU HA H 11 4.147 4.147 3.881 0.266 25588 55 1 . 1 1 11 11 GLU C C 11 177.900 177.900 179.119 -1.219 25588 56 1 . 1 1 11 11 GLU CA C 11 56.670 56.670 59.217 -2.547 25588 57 1 . 1 1 11 11 GLU CB C 11 26.500 26.500 29.258 -2.758 25588 58 1 . 1 1 11 11 GLU H H 11 7.779 7.779 7.795 -0.016 25588 59 1 . 1 1 12 12 PHE N N 12 120.200 120.200 117.921 2.279 25588 60 1 . 1 1 12 12 PHE HA H 12 5.020 5.020 4.296 0.724 25588 61 1 . 1 1 12 12 PHE C C 12 176.100 176.100 177.913 -1.813 25588 62 1 . 1 1 12 12 PHE CA C 12 56.610 56.610 61.229 -4.619 25588 63 1 . 1 1 12 12 PHE CB C 12 35.280 35.280 38.775 -3.495 25588 64 1 . 1 1 12 12 PHE H H 12 8.562 8.562 7.954 0.608 25588 65 1 . 1 1 13 13 LYS N N 13 123.500 123.500 119.962 3.538 25588 66 1 . 1 1 13 13 LYS HA H 13 3.989 3.989 4.075 -0.085 25588 67 1 . 1 1 13 13 LYS C C 13 176.700 176.700 179.244 -2.544 25588 68 1 . 1 1 13 13 LYS CA C 13 57.520 57.520 59.716 -2.196 25588 69 1 . 1 1 13 13 LYS CB C 13 29.310 29.310 32.371 -3.061 25588 70 1 . 1 1 13 13 LYS H H 13 9.161 9.161 7.649 1.512 25588 71 1 . 1 1 14 14 GLU N N 14 120.400 120.400 118.555 1.845 25588 72 1 . 1 1 14 14 GLU HA H 14 4.125 4.125 4.174 -0.049 25588 73 1 . 1 1 14 14 GLU C C 14 176.800 176.800 178.987 -2.187 25588 74 1 . 1 1 14 14 GLU CA C 14 56.730 56.730 58.823 -2.093 25588 75 1 . 1 1 14 14 GLU CB C 14 26.600 26.600 29.423 -2.823 25588 76 1 . 1 1 14 14 GLU H H 14 7.786 7.786 8.499 -0.713 25588 77 1 . 1 1 15 15 ALA N N 15 122.600 122.600 121.877 0.723 25588 78 1 . 1 1 15 15 ALA HA H 15 4.283 4.283 4.001 0.282 25588 79 1 . 1 1 15 15 ALA C C 15 176.400 176.400 179.187 -2.787 25588 80 1 . 1 1 15 15 ALA CA C 15 52.590 52.590 54.659 -2.069 25588 81 1 . 1 1 15 15 ALA CB C 15 15.540 15.540 18.055 -2.515 25588 82 1 . 1 1 15 15 ALA H H 15 7.981 7.981 8.121 -0.140 25588 83 1 . 1 1 16 16 PHE N N 16 119.400 119.400 118.833 0.567 25588 84 1 . 1 1 16 16 PHE HA H 16 3.206 3.206 4.388 -1.182 25588 85 1 . 1 1 16 16 PHE C C 16 174.600 174.600 177.213 -2.613 25588 86 1 . 1 1 16 16 PHE CA C 16 59.360 59.360 61.487 -2.127 25588 87 1 . 1 1 16 16 PHE CB C 16 37.040 37.040 39.247 -2.207 25588 88 1 . 1 1 16 16 PHE H H 16 8.796 8.796 7.904 0.892 25588 89 1 . 1 1 17 17 SER N N 17 112.600 112.600 114.384 -1.784 25588 90 1 . 1 1 17 17 SER HA H 17 4.028 4.028 4.245 -0.217 25588 91 1 . 1 1 17 17 SER C C 17 172.400 172.400 176.021 -3.621 25588 92 1 . 1 1 17 17 SER CA C 17 58.820 58.820 60.903 -2.083 25588 93 1 . 1 1 17 17 SER CB C 17 60.680 60.680 63.270 -2.590 25588 94 1 . 1 1 17 17 SER H H 17 7.898 7.898 7.905 -0.007 25588 95 1 . 1 1 18 18 LEU N N 18 121.000 121.000 123.777 -2.777 25588 96 1 . 1 1 18 18 LEU HA H 18 3.995 3.995 3.954 0.041 25588 97 1 . 1 1 18 18 LEU C C 18 175.300 175.300 177.835 -2.535 25588 98 1 . 1 1 18 18 LEU CA C 18 54.490 54.490 57.704 -3.214 25588 99 1 . 1 1 18 18 LEU CB C 18 38.870 38.870 41.487 -2.617 25588 100 1 . 1 1 18 18 LEU H H 18 7.426 7.426 7.290 0.136 25588 101 1 . 1 1 19 19 PHE N N 19 115.200 115.200 115.614 -0.414 25588 102 1 . 1 1 19 19 PHE C C 19 174.100 174.100 178.142 -4.042 25588 103 1 . 1 1 19 19 PHE CA C 19 56.640 56.640 61.344 -4.704 25588 104 1 . 1 1 19 19 PHE CB C 19 38.250 38.250 38.383 -0.133 25588 105 1 . 1 1 19 19 PHE H H 19 7.309 7.309 7.660 -0.351 25588 106 1 . 1 1 20 20 ASP N N 20 117.700 117.700 118.517 -0.817 25588 107 1 . 1 1 20 20 ASP HA H 20 4.540 4.540 4.573 -0.033 25588 108 1 . 1 1 20 20 ASP C C 20 174.500 174.500 178.143 -3.643 25588 109 1 . 1 1 20 20 ASP CA C 20 49.720 49.720 54.661 -4.941 25588 110 1 . 1 1 20 20 ASP CB C 20 36.200 36.200 40.889 -4.689 25588 111 1 . 1 1 20 20 ASP H H 20 7.814 7.814 7.833 -0.019 25588 112 1 . 1 1 21 21 LYS N N 21 124.400 124.400 119.238 5.162 25588 113 1 . 1 1 21 21 LYS HA H 21 3.954 3.954 3.896 0.058 25588 114 1 . 1 1 21 21 LYS C C 21 175.500 175.500 177.641 -2.141 25588 115 1 . 1 1 21 21 LYS CA C 21 55.890 55.890 59.052 -3.162 25588 116 1 . 1 1 21 21 LYS CB C 21 30.060 30.060 32.257 -2.197 25588 117 1 . 1 1 21 21 LYS H H 21 7.652 7.652 7.704 -0.052 25588 118 1 . 1 1 22 22 ASP N N 22 113.900 113.900 116.867 -2.967 25588 119 1 . 1 1 22 22 ASP HA H 22 4.585 4.585 4.379 0.206 25588 120 1 . 1 1 22 22 ASP C C 22 175.000 175.000 177.077 -2.077 25588 121 1 . 1 1 22 22 ASP CA C 22 50.130 50.130 55.664 -5.534 25588 122 1 . 1 1 22 22 ASP CB C 22 36.910 36.910 40.969 -4.059 25588 123 1 . 1 1 22 22 ASP H H 22 8.056 8.056 7.762 0.294 25588 124 1 . 1 1 23 23 GLY N N 23 109.200 109.200 108.965 0.235 25588 125 1 . 1 1 23 23 GLY C C 23 172.300 172.300 173.646 -1.346 25588 126 1 . 1 1 23 23 GLY CA C 23 44.590 44.590 44.529 0.061 25588 127 1 . 1 1 23 23 GLY H H 23 7.660 7.660 7.703 -0.043 25588 128 1 . 1 1 24 24 ASP N N 24 118.600 118.600 118.630 -0.030 25588 129 1 . 1 1 24 24 ASP HA H 24 4.617 4.617 4.519 0.098 25588 130 1 . 1 1 24 24 ASP C C 24 174.200 174.200 175.889 -1.689 25588 131 1 . 1 1 24 24 ASP CA C 24 49.970 49.970 55.315 -5.344 25588 132 1 . 1 1 24 24 ASP CB C 24 35.090 35.090 41.008 -5.918 25588 133 1 . 1 1 24 24 ASP H H 24 8.052 8.052 8.411 -0.359 25588 134 1 . 1 1 25 25 GLY N N 25 113.400 113.400 107.821 5.579 25588 135 1 . 1 1 25 25 GLY C C 25 170.600 170.600 173.100 -2.500 25588 136 1 . 1 1 25 25 GLY CA C 25 43.160 43.160 45.041 -1.881 25588 137 1 . 1 1 25 25 GLY H H 25 10.570 10.570 7.902 2.668 25588 138 1 . 1 1 26 26 THR N N 26 109.100 109.100 117.417 -8.317 25588 139 1 . 1 1 26 26 THR HA H 26 5.271 5.271 4.457 0.814 25588 140 1 . 1 1 26 26 THR C C 26 170.200 170.200 172.667 -2.467 25588 141 1 . 1 1 26 26 THR CA C 26 57.170 57.170 62.074 -4.904 25588 142 1 . 1 1 26 26 THR CB C 26 69.920 69.920 72.506 -2.586 25588 143 1 . 1 1 26 26 THR H H 26 7.661 7.661 8.129 -0.468 25588 144 1 . 1 1 27 27 ILE N N 27 127.100 127.100 126.258 0.842 25588 145 1 . 1 1 27 27 ILE HA H 27 4.971 4.971 4.642 0.329 25588 146 1 . 1 1 27 27 ILE C C 27 173.400 173.400 174.917 -1.517 25588 147 1 . 1 1 27 27 ILE CA C 27 57.820 57.820 59.988 -2.168 25588 148 1 . 1 1 27 27 ILE CB C 27 36.720 36.720 39.213 -2.493 25588 149 1 . 1 1 27 27 ILE H H 27 9.766 9.766 8.213 1.553 25588 150 1 . 1 1 28 28 THR N N 28 116.500 116.500 116.543 -0.043 25588 151 1 . 1 1 28 28 THR HA H 28 4.802 4.802 4.951 -0.149 25588 152 1 . 1 1 28 28 THR C C 28 173.900 173.900 176.084 -2.184 25588 153 1 . 1 1 28 28 THR CA C 28 56.980 56.980 59.697 -2.717 25588 154 1 . 1 1 28 28 THR CB C 28 69.730 69.730 72.072 -2.342 25588 155 1 . 1 1 28 28 THR H H 28 8.458 8.458 8.105 0.353 25588 156 1 . 1 1 29 29 THR N N 29 112.900 112.900 113.280 -0.380 25588 157 1 . 1 1 29 29 THR HA H 29 4.169 4.169 4.016 0.153 25588 158 1 . 1 1 29 29 THR C C 29 174.500 174.500 176.541 -2.041 25588 159 1 . 1 1 29 29 THR CA C 29 63.940 63.940 66.302 -2.362 25588 160 1 . 1 1 29 29 THR CB C 29 65.170 65.170 68.595 -3.425 25588 161 1 . 1 1 29 29 THR H H 29 9.066 9.066 8.741 0.325 25588 162 1 . 1 1 30 30 LYS N N 30 120.800 120.800 121.654 -0.854 25588 163 1 . 1 1 30 30 LYS HA H 30 4.111 4.111 3.957 0.154 25588 164 1 . 1 1 30 30 LYS C C 30 177.200 177.200 178.847 -1.647 25588 165 1 . 1 1 30 30 LYS CA C 30 56.530 56.530 59.469 -2.939 25588 166 1 . 1 1 30 30 LYS CB C 30 29.960 29.960 32.195 -2.235 25588 167 1 . 1 1 30 30 LYS H H 30 7.664 7.664 7.767 -0.103 25588 168 1 . 1 1 31 31 GLU N N 31 121.400 121.400 119.089 2.311 25588 169 1 . 1 1 31 31 GLU HA H 31 4.065 4.065 3.968 0.097 25588 170 1 . 1 1 31 31 GLU C C 31 176.500 176.500 179.216 -2.716 25588 171 1 . 1 1 31 31 GLU CA C 31 56.580 56.580 58.936 -2.356 25588 172 1 . 1 1 31 31 GLU CB C 31 27.160 27.160 29.680 -2.520 25588 173 1 . 1 1 31 31 GLU H H 31 7.635 7.635 7.451 0.184 25588 174 1 . 1 1 32 32 LEU N N 32 120.600 120.600 121.259 -0.659 25588 175 1 . 1 1 32 32 LEU HA H 32 4.082 4.082 4.237 -0.155 25588 176 1 . 1 1 32 32 LEU C C 32 176.300 176.300 178.739 -2.440 25588 177 1 . 1 1 32 32 LEU CA C 32 55.410 55.410 57.344 -1.934 25588 178 1 . 1 1 32 32 LEU CB C 32 39.970 39.970 41.883 -1.913 25588 179 1 . 1 1 32 32 LEU H H 32 8.699 8.699 7.701 0.998 25588 180 1 . 1 1 33 33 GLY N N 33 105.600 105.600 104.385 1.214 25588 181 1 . 1 1 33 33 GLY C C 33 172.500 172.500 176.173 -3.673 25588 182 1 . 1 1 33 33 GLY CA C 33 45.720 45.720 47.524 -1.804 25588 183 1 . 1 1 33 33 GLY H H 33 8.616 8.616 8.764 -0.148 25588 184 1 . 1 1 34 34 THR N N 34 118.000 118.000 119.241 -1.241 25588 185 1 . 1 1 34 34 THR HA H 34 3.913 3.913 3.979 -0.066 25588 186 1 . 1 1 34 34 THR C C 34 174.500 174.500 176.395 -1.895 25588 187 1 . 1 1 34 34 THR CA C 34 64.250 64.250 66.413 -2.163 25588 188 1 . 1 1 34 34 THR CB C 34 66.100 66.100 68.537 -2.437 25588 189 1 . 1 1 34 34 THR H H 34 7.867 7.867 7.395 0.472 25588 190 1 . 1 1 35 35 VAL N N 35 122.100 122.100 121.642 0.458 25588 191 1 . 1 1 35 35 VAL HA H 35 3.458 3.458 3.669 -0.211 25588 192 1 . 1 1 35 35 VAL C C 35 176.500 176.500 177.169 -0.669 25588 193 1 . 1 1 35 35 VAL CA C 35 63.630 63.630 65.900 -2.270 25588 194 1 . 1 1 35 35 VAL CB C 35 28.120 28.120 31.026 -2.906 25588 195 1 . 1 1 35 35 VAL H H 35 7.613 7.613 7.942 -0.329 25588 196 1 . 1 1 36 36 MET N N 36 118.400 118.400 117.613 0.787 25588 197 1 . 1 1 36 36 MET HA H 36 4.095 4.095 4.044 0.051 25588 198 1 . 1 1 36 36 MET C C 36 176.500 176.500 178.007 -1.507 25588 199 1 . 1 1 36 36 MET CA C 36 56.420 56.420 57.688 -1.268 25588 200 1 . 1 1 36 36 MET H H 36 8.440 8.440 7.464 0.976 25588 201 1 . 1 1 37 37 ARG N N 37 119.000 119.000 118.447 0.553 25588 202 1 . 1 1 37 37 ARG HA H 37 4.801 4.801 4.037 0.764 25588 203 1 . 1 1 37 37 ARG C C 37 178.500 178.500 179.344 -0.844 25588 204 1 . 1 1 37 37 ARG CA C 37 56.420 56.420 59.390 -2.969 25588 205 1 . 1 1 37 37 ARG H H 37 8.474 8.474 8.098 0.376 25588 206 1 . 1 1 38 38 SER N N 38 118.800 118.800 115.817 2.983 25588 207 1 . 1 1 38 38 SER HA H 38 4.380 4.380 4.228 0.152 25588 208 1 . 1 1 38 38 SER C C 38 172.200 172.200 175.991 -3.791 25588 209 1 . 1 1 38 38 SER CA C 38 58.930 58.930 61.204 -2.274 25588 210 1 . 1 1 38 38 SER CB C 38 60.200 60.200 62.843 -2.643 25588 211 1 . 1 1 38 38 SER H H 38 7.899 7.899 7.963 -0.064 25588 212 1 . 1 1 39 39 LEU N N 39 120.600 120.600 118.911 1.689 25588 213 1 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.516 -0.021 25588 214 1 . 1 1 39 39 LEU C C 39 174.800 174.800 177.418 -2.618 25588 215 1 . 1 1 39 39 LEU CA C 39 51.930 51.930 54.106 -2.176 25588 216 1 . 1 1 39 39 LEU H H 39 7.364 7.364 7.497 -0.133 25588 217 1 . 1 1 40 40 GLY N N 40 106.800 106.800 108.897 -2.097 25588 218 1 . 1 1 40 40 GLY C C 40 171.700 171.700 174.249 -2.549 25588 219 1 . 1 1 40 40 GLY CA C 40 42.970 42.970 46.255 -3.285 25588 220 1 . 1 1 40 40 GLY H H 40 7.862 7.862 7.945 -0.083 25588 221 1 . 1 1 41 41 GLN N N 41 118.400 118.400 122.056 -3.656 25588 222 1 . 1 1 41 41 GLN HA H 41 4.480 4.480 4.250 0.230 25588 223 1 . 1 1 41 41 GLN C C 41 171.400 171.400 173.602 -2.202 25588 224 1 . 1 1 41 41 GLN CA C 41 51.890 51.890 55.680 -3.790 25588 225 1 . 1 1 41 41 GLN CB C 41 28.080 28.080 30.424 -2.343 25588 226 1 . 1 1 41 41 GLN H H 41 7.788 7.788 8.464 -0.676 25588 227 1 . 1 1 42 42 ASN N N 42 116.300 116.300 122.337 -6.037 25588 228 1 . 1 1 42 42 ASN HA H 42 5.193 5.193 5.351 -0.158 25588 229 1 . 1 1 42 42 ASN CA C 42 48.620 48.620 49.817 -1.197 25588 230 1 . 1 1 42 42 ASN H H 42 8.665 8.665 8.366 0.299 25588 231 1 . 1 1 43 43 PRO HA H 43 4.735 4.735 4.072 0.663 25588 232 1 . 1 1 43 43 PRO C C 43 175.100 175.100 178.440 -3.340 25588 233 1 . 1 1 43 43 PRO CA C 43 59.780 59.780 65.701 -5.921 25588 234 1 . 1 1 43 43 PRO CB C 43 29.390 29.390 31.664 -2.274 25588 235 1 . 1 1 44 44 THR N N 44 112.900 112.900 113.050 -0.150 25588 236 1 . 1 1 44 44 THR HA H 44 4.707 4.707 3.950 0.757 25588 237 1 . 1 1 44 44 THR C C 44 172.600 172.600 176.777 -4.177 25588 238 1 . 1 1 44 44 THR CA C 44 57.830 57.830 66.537 -8.707 25588 239 1 . 1 1 44 44 THR CB C 44 68.490 68.490 68.372 0.118 25588 240 1 . 1 1 44 44 THR H H 44 8.702 8.702 7.908 0.794 25588 241 1 . 1 1 45 45 GLU N N 45 120.800 120.800 120.143 0.657 25588 242 1 . 1 1 45 45 GLU HA H 45 3.975 3.975 4.299 -0.324 25588 243 1 . 1 1 45 45 GLU C C 45 176.300 176.300 178.395 -2.095 25588 244 1 . 1 1 45 45 GLU CA C 45 57.460 57.460 58.269 -0.809 25588 245 1 . 1 1 45 45 GLU CB C 45 26.420 26.420 29.576 -3.156 25588 246 1 . 1 1 45 45 GLU H H 45 8.789 8.789 8.502 0.287 25588 247 1 . 1 1 46 46 ALA N N 46 120.700 120.700 123.942 -3.242 25588 248 1 . 1 1 46 46 ALA HA H 46 4.089 4.089 4.027 0.062 25588 249 1 . 1 1 46 46 ALA C C 46 177.700 177.700 179.626 -1.926 25588 250 1 . 1 1 46 46 ALA CA C 46 52.410 52.410 55.388 -2.978 25588 251 1 . 1 1 46 46 ALA CB C 46 15.650 15.650 17.966 -2.316 25588 252 1 . 1 1 46 46 ALA H H 46 8.241 8.241 8.193 0.048 25588 253 1 . 1 1 47 47 GLU N N 47 118.900 118.900 117.967 0.933 25588 254 1 . 1 1 47 47 GLU HA H 47 4.002 4.002 4.155 -0.153 25588 255 1 . 1 1 47 47 GLU C C 47 177.500 177.500 179.296 -1.796 25588 256 1 . 1 1 47 47 GLU CA C 47 56.410 56.410 58.752 -2.342 25588 257 1 . 1 1 47 47 GLU CB C 47 27.060 27.060 29.684 -2.623 25588 258 1 . 1 1 47 47 GLU H H 47 7.682 7.682 7.868 -0.186 25588 259 1 . 1 1 48 48 LEU N N 48 120.600 120.600 120.114 0.486 25588 260 1 . 1 1 48 48 LEU HA H 48 4.061 4.061 4.027 0.035 25588 261 1 . 1 1 48 48 LEU C C 48 175.900 175.900 178.713 -2.813 25588 262 1 . 1 1 48 48 LEU CA C 48 55.270 55.270 57.035 -1.765 25588 263 1 . 1 1 48 48 LEU CB C 48 39.740 39.740 41.535 -1.795 25588 264 1 . 1 1 48 48 LEU H H 48 8.169 8.169 7.458 0.711 25588 265 1 . 1 1 49 49 GLN N N 49 118.200 118.200 119.786 -1.586 25588 266 1 . 1 1 49 49 GLN HA H 49 3.827 3.827 3.848 -0.021 25588 267 1 . 1 1 49 49 GLN C C 49 175.900 175.900 177.854 -1.954 25588 268 1 . 1 1 49 49 GLN CA C 49 55.970 55.970 59.258 -3.288 25588 269 1 . 1 1 49 49 GLN CB C 49 25.520 25.520 27.832 -2.312 25588 270 1 . 1 1 49 49 GLN H H 49 8.179 8.179 8.505 -0.326 25588 271 1 . 1 1 50 50 ASP N N 50 119.900 119.900 118.905 0.995 25588 272 1 . 1 1 50 50 ASP HA H 50 4.383 4.383 4.450 -0.067 25588 273 1 . 1 1 50 50 ASP C C 50 175.900 175.900 178.214 -2.314 25588 274 1 . 1 1 50 50 ASP CA C 50 54.950 54.950 56.671 -1.721 25588 275 1 . 1 1 50 50 ASP CB C 50 37.790 37.790 40.653 -2.864 25588 276 1 . 1 1 50 50 ASP H H 50 8.037 8.037 7.686 0.351 25588 277 1 . 1 1 51 51 MET N N 51 119.300 119.300 120.623 -1.323 25588 278 1 . 1 1 51 51 MET HA H 51 4.028 4.028 4.107 -0.079 25588 279 1 . 1 1 51 51 MET C C 51 176.200 176.200 178.257 -2.057 25588 280 1 . 1 1 51 51 MET CA C 51 56.710 56.710 59.100 -2.390 25588 281 1 . 1 1 51 51 MET CB C 51 30.570 30.570 32.717 -2.147 25588 282 1 . 1 1 51 51 MET H H 51 7.855 7.855 7.287 0.568 25588 283 1 . 1 1 52 52 ILE N N 52 118.200 118.200 119.476 -1.276 25588 284 1 . 1 1 52 52 ILE HA H 52 3.489 3.489 3.506 -0.017 25588 285 1 . 1 1 52 52 ILE C C 52 175.100 175.100 177.887 -2.787 25588 286 1 . 1 1 52 52 ILE CA C 52 62.220 62.220 65.746 -3.526 25588 287 1 . 1 1 52 52 ILE CB C 52 39.330 39.330 37.690 1.640 25588 288 1 . 1 1 52 52 ILE H H 52 7.701 7.701 8.833 -1.132 25588 289 1 . 1 1 53 53 ASN N N 53 117.700 117.700 117.657 0.043 25588 290 1 . 1 1 53 53 ASN HA H 53 4.361 4.361 4.369 -0.008 25588 291 1 . 1 1 53 53 ASN C C 53 174.800 174.800 177.556 -2.756 25588 292 1 . 1 1 53 53 ASN CA C 53 53.290 53.290 56.431 -3.141 25588 293 1 . 1 1 53 53 ASN CB C 53 35.440 35.440 38.069 -2.629 25588 294 1 . 1 1 53 53 ASN H H 53 8.529 8.529 7.876 0.653 25588 295 1 . 1 1 54 54 GLU N N 54 116.400 116.400 120.427 -4.027 25588 296 1 . 1 1 54 54 GLU HA H 54 4.021 4.021 4.024 -0.004 25588 297 1 . 1 1 54 54 GLU C C 54 175.000 175.000 178.325 -3.325 25588 298 1 . 1 1 54 54 GLU CA C 54 56.240 56.240 59.327 -3.087 25588 299 1 . 1 1 54 54 GLU CB C 54 27.830 27.830 29.802 -1.972 25588 300 1 . 1 1 54 54 GLU H H 54 7.573 7.573 7.914 -0.341 25588 301 1 . 1 1 55 55 VAL N N 55 108.400 108.400 117.776 -9.376 25588 302 1 . 1 1 55 55 VAL HA H 55 4.446 4.446 3.883 0.563 25588 303 1 . 1 1 55 55 VAL C C 55 173.100 173.100 177.711 -4.611 25588 304 1 . 1 1 55 55 VAL CA C 55 58.090 58.090 65.199 -7.109 25588 305 1 . 1 1 55 55 VAL H H 55 7.204 7.204 7.729 -0.525 25588 306 1 . 1 1 56 56 ASP N N 56 126.900 126.900 119.732 7.168 25588 307 1 . 1 1 56 56 ASP HA H 56 4.638 4.638 4.540 0.098 25588 308 1 . 1 1 56 56 ASP CA C 56 51.050 51.050 55.042 -3.992 25588 309 1 . 1 1 56 56 ASP CB C 56 37.480 37.480 40.862 -3.382 25588 310 1 . 1 1 56 56 ASP H H 56 7.649 7.649 8.323 -0.674 25588 311 1 . 1 1 57 57 ALA N N 57 131.900 131.900 121.086 10.814 25588 312 1 . 1 1 57 57 ALA HA H 57 4.182 4.182 4.204 -0.022 25588 313 1 . 1 1 57 57 ALA C C 57 176.000 176.000 177.809 -1.809 25588 314 1 . 1 1 57 57 ALA CA C 57 51.690 51.690 53.226 -1.536 25588 315 1 . 1 1 57 57 ALA CB C 57 16.900 16.900 18.105 -1.205 25588 316 1 . 1 1 57 57 ALA H H 57 8.458 8.458 7.855 0.603 25588 317 1 . 1 1 58 58 ASP N N 58 113.800 113.800 118.405 -4.605 25588 318 1 . 1 1 58 58 ASP HA H 58 4.611 4.611 4.417 0.194 25588 319 1 . 1 1 58 58 ASP C C 58 175.200 175.200 177.039 -1.839 25588 320 1 . 1 1 58 58 ASP CA C 58 50.040 50.040 55.460 -5.420 25588 321 1 . 1 1 58 58 ASP CB C 58 37.200 37.200 40.692 -3.492 25588 322 1 . 1 1 58 58 ASP H H 58 8.125 8.125 7.659 0.466 25588 323 1 . 1 1 59 59 GLY N N 59 108.400 108.400 106.385 2.015 25588 324 1 . 1 1 59 59 GLY C C 59 172.500 172.500 173.360 -0.860 25588 325 1 . 1 1 59 59 GLY CA C 59 44.660 44.660 45.252 -0.592 25588 326 1 . 1 1 59 59 GLY H H 59 7.550 7.550 7.804 -0.254 25588 327 1 . 1 1 60 60 ASN N N 60 120.600 120.600 117.048 3.552 25588 328 1 . 1 1 60 60 ASN HA H 60 4.487 4.487 4.737 -0.250 25588 329 1 . 1 1 60 60 ASN C C 60 174.800 174.800 174.891 -0.091 25588 330 1 . 1 1 60 60 ASN CA C 60 51.180 51.180 52.644 -1.464 25588 331 1 . 1 1 60 60 ASN CB C 60 37.840 37.840 39.317 -1.477 25588 332 1 . 1 1 60 60 ASN H H 60 8.356 8.356 8.093 0.263 25588 333 1 . 1 1 61 61 GLY N N 61 113.300 113.300 106.950 6.350 25588 334 1 . 1 1 61 61 GLY C C 61 171.100 171.100 173.786 -2.686 25588 335 1 . 1 1 61 61 GLY CA C 61 42.830 42.830 45.815 -2.985 25588 336 1 . 1 1 61 61 GLY H H 61 10.610 10.610 8.738 1.872 25588 337 1 . 1 1 62 62 THR N N 62 112.900 112.900 112.012 0.888 25588 338 1 . 1 1 62 62 THR HA H 62 4.756 4.756 4.964 -0.208 25588 339 1 . 1 1 62 62 THR C C 62 170.500 170.500 173.306 -2.806 25588 340 1 . 1 1 62 62 THR CA C 62 57.050 57.050 59.680 -2.630 25588 341 1 . 1 1 62 62 THR CB C 62 69.100 69.100 72.147 -3.047 25588 342 1 . 1 1 62 62 THR H H 62 8.111 8.111 7.716 0.395 25588 343 1 . 1 1 63 63 ILE N N 63 123.900 123.900 123.704 0.196 25588 344 1 . 1 1 63 63 ILE HA H 63 5.152 5.152 4.310 0.842 25588 345 1 . 1 1 63 63 ILE C C 63 172.900 172.900 174.547 -1.647 25588 346 1 . 1 1 63 63 ILE CA C 63 57.360 57.360 60.332 -2.972 25588 347 1 . 1 1 63 63 ILE CB C 63 36.860 36.860 41.555 -4.695 25588 348 1 . 1 1 63 63 ILE H H 63 8.905 8.905 8.833 0.072 25588 349 1 . 1 1 64 64 ASP N N 64 128.200 128.200 126.660 1.540 25588 350 1 . 1 1 64 64 ASP HA H 64 5.342 5.342 4.728 0.614 25588 351 1 . 1 1 64 64 ASP C C 64 173.700 173.700 177.076 -3.376 25588 352 1 . 1 1 64 64 ASP CA C 64 49.470 49.470 54.437 -4.967 25588 353 1 . 1 1 64 64 ASP CB C 64 39.650 39.650 41.634 -1.984 25588 354 1 . 1 1 64 64 ASP H H 64 8.778 8.778 8.611 0.167 25588 355 1 . 1 1 65 65 PHE N N 65 118.700 118.700 120.407 -1.707 25588 356 1 . 1 1 65 65 PHE CA C 65 61.020 61.020 63.387 -2.367 25588 357 1 . 1 1 65 65 PHE H H 65 8.903 8.903 8.963 -0.060 25588 358 1 . 1 1 66 66 PRO C C 66 177.400 177.400 178.786 -1.386 25588 359 1 . 1 1 66 66 PRO CA C 66 63.960 63.960 66.336 -2.376 25588 360 1 . 1 1 66 66 PRO CB C 66 28.060 28.060 31.366 -3.306 25588 361 1 . 1 1 67 67 GLU N N 67 117.600 117.600 117.180 0.420 25588 362 1 . 1 1 67 67 GLU C C 67 176.100 176.100 178.810 -2.710 25588 363 1 . 1 1 67 67 GLU CA C 67 56.070 56.070 58.979 -2.909 25588 364 1 . 1 1 67 67 GLU CB C 67 26.750 26.750 29.269 -2.519 25588 365 1 . 1 1 67 67 GLU H H 67 7.894 7.894 8.640 -0.746 25588 366 1 . 1 1 68 68 PHE N N 68 123.500 123.500 122.315 1.185 25588 367 1 . 1 1 68 68 PHE C C 68 174.400 174.400 176.828 -2.428 25588 368 1 . 1 1 68 68 PHE CA C 68 58.610 58.610 61.622 -3.012 25588 369 1 . 1 1 68 68 PHE CB C 68 37.520 37.520 38.944 -1.424 25588 370 1 . 1 1 68 68 PHE H H 68 8.826 8.826 8.014 0.812 25588 371 1 . 1 1 69 69 LEU N N 69 119.000 119.000 118.539 0.461 25588 372 1 . 1 1 69 69 LEU HA H 69 3.334 3.334 3.804 -0.470 25588 373 1 . 1 1 69 69 LEU C C 69 176.600 176.600 179.046 -2.446 25588 374 1 . 1 1 69 69 LEU CA C 69 55.350 55.350 58.238 -2.888 25588 375 1 . 1 1 69 69 LEU CB C 69 38.180 38.180 41.553 -3.373 25588 376 1 . 1 1 69 69 LEU H H 69 8.321 8.321 8.413 -0.092 25588 377 1 . 1 1 70 70 THR N N 70 115.500 115.500 115.250 0.250 25588 378 1 . 1 1 70 70 THR HA H 70 4.317 4.317 3.911 0.405 25588 379 1 . 1 1 70 70 THR C C 70 173.400 173.400 176.321 -2.921 25588 380 1 . 1 1 70 70 THR CA C 70 63.720 63.720 66.740 -3.020 25588 381 1 . 1 1 70 70 THR CB C 70 65.630 65.630 68.567 -2.937 25588 382 1 . 1 1 70 70 THR H H 70 7.476 7.476 7.601 -0.125 25588 383 1 . 1 1 71 71 MET N N 71 121.700 121.700 121.495 0.205 25588 384 1 . 1 1 71 71 MET HA H 71 3.758 3.758 3.977 -0.219 25588 385 1 . 1 1 71 71 MET C C 71 175.600 175.600 177.688 -2.088 25588 386 1 . 1 1 71 71 MET CA C 71 56.370 56.370 59.244 -2.874 25588 387 1 . 1 1 71 71 MET CB C 71 30.590 30.590 32.570 -1.980 25588 388 1 . 1 1 71 71 MET H H 71 7.774 7.774 8.389 -0.615 25588 389 1 . 1 1 72 72 MET N N 72 116.900 116.900 117.250 -0.350 25588 390 1 . 1 1 72 72 MET HA H 72 3.993 3.993 3.970 0.023 25588 391 1 . 1 1 72 72 MET C C 72 175.900 175.900 178.417 -2.517 25588 392 1 . 1 1 72 72 MET CA C 72 53.200 53.200 57.344 -4.144 25588 393 1 . 1 1 72 72 MET CB C 72 28.520 28.520 30.930 -2.410 25588 394 1 . 1 1 72 72 MET H H 72 8.082 8.082 8.101 -0.019 25588 395 1 . 1 1 73 73 ALA N N 73 122.300 122.300 122.565 -0.265 25588 396 1 . 1 1 73 73 ALA HA H 73 4.074 4.074 3.951 0.123 25588 397 1 . 1 1 73 73 ALA C C 73 177.200 177.200 179.274 -2.074 25588 398 1 . 1 1 73 73 ALA CA C 73 51.970 51.970 55.000 -3.030 25588 399 1 . 1 1 73 73 ALA CB C 73 15.740 15.740 18.387 -2.648 25588 400 1 . 1 1 73 73 ALA H H 73 8.149 8.149 7.991 0.158 25588 401 1 . 1 1 74 74 ARG N N 74 116.600 116.600 117.111 -0.511 25588 402 1 . 1 1 74 74 ARG C C 74 175.200 175.200 178.524 -3.324 25588 403 1 . 1 1 74 74 ARG CA C 74 55.560 55.560 58.723 -3.163 25588 404 1 . 1 1 74 74 ARG CB C 74 27.650 27.650 30.302 -2.652 25588 405 1 . 1 1 74 74 ARG H H 74 7.564 7.564 7.653 -0.089 25588 406 1 . 1 1 75 75 LYS N N 75 118.800 118.800 117.242 1.558 25588 407 1 . 1 1 75 75 LYS HA H 75 4.195 4.195 4.138 0.057 25588 408 1 . 1 1 75 75 LYS C C 75 175.100 175.100 177.525 -2.425 25588 409 1 . 1 1 75 75 LYS CA C 75 54.730 54.730 57.615 -2.885 25588 410 1 . 1 1 75 75 LYS H H 75 7.668 7.668 8.020 -0.352 25588 411 1 . 1 1 76 76 MET N N 76 118.300 118.300 118.183 0.117 25588 412 1 . 1 1 76 76 MET HA H 76 4.331 4.331 4.562 -0.231 25588 413 1 . 1 1 76 76 MET C C 76 173.900 173.900 174.918 -1.018 25588 414 1 . 1 1 76 76 MET CA C 76 54.010 54.010 53.251 0.759 25588 415 1 . 1 1 76 76 MET H H 76 7.861 7.861 8.066 -0.205 25588 416 1 . 1 1 77 77 LYS N N 77 120.200 120.200 123.130 -2.930 25588 417 1 . 1 1 77 77 LYS HA H 77 4.298 4.298 4.376 -0.078 25588 418 1 . 1 1 77 77 LYS C C 77 173.800 173.800 176.580 -2.780 25588 419 1 . 1 1 77 77 LYS CA C 77 54.070 54.070 55.620 -1.550 25588 420 1 . 1 1 77 77 LYS CB C 77 30.370 30.370 34.040 -3.670 25588 421 1 . 1 1 77 77 LYS H H 77 7.797 7.797 8.364 -0.567 25588 422 1 . 1 1 78 78 ASP N N 78 121.400 121.400 123.558 -2.158 25588 423 1 . 1 1 78 78 ASP HA H 78 4.673 4.673 4.422 0.251 25588 424 1 . 1 1 78 78 ASP C C 78 173.900 173.900 177.573 -3.673 25588 425 1 . 1 1 78 78 ASP CA C 78 51.900 51.900 55.101 -3.201 25588 426 1 . 1 1 78 78 ASP CB C 78 38.510 38.510 41.430 -2.920 25588 427 1 . 1 1 78 78 ASP H H 78 8.191 8.191 8.584 -0.393 25588 428 1 . 1 1 79 79 THR N N 79 114.600 114.600 110.275 4.325 25588 429 1 . 1 1 79 79 THR HA H 79 4.263 4.263 4.088 0.175 25588 430 1 . 1 1 79 79 THR C C 79 171.900 171.900 175.605 -3.705 25588 431 1 . 1 1 79 79 THR CA C 79 59.510 59.510 64.973 -5.463 25588 432 1 . 1 1 79 79 THR CB C 79 67.090 67.090 68.791 -1.701 25588 433 1 . 1 1 79 79 THR H H 79 8.063 8.063 8.395 -0.332 25588 434 1 . 1 1 80 80 ASP N N 80 123.100 123.100 121.988 1.112 25588 435 1 . 1 1 80 80 ASP HA H 80 4.712 4.712 4.524 0.188 25588 436 1 . 1 1 80 80 ASP C C 80 173.900 173.900 178.100 -4.200 25588 437 1 . 1 1 80 80 ASP CA C 80 51.900 51.900 56.255 -4.355 25588 438 1 . 1 1 80 80 ASP CB C 80 38.670 38.670 39.682 -1.012 25588 439 1 . 1 1 80 80 ASP H H 80 8.423 8.423 8.636 -0.213 25588 440 1 . 1 1 81 81 SER N N 81 116.900 116.900 116.261 0.639 25588 441 1 . 1 1 81 81 SER HA H 81 4.498 4.498 4.131 0.367 25588 442 1 . 1 1 81 81 SER C C 81 172.700 172.700 175.876 -3.176 25588 443 1 . 1 1 81 81 SER CA C 81 56.360 56.360 61.310 -4.950 25588 444 1 . 1 1 81 81 SER CB C 81 61.310 61.310 62.919 -1.609 25588 445 1 . 1 1 81 81 SER H H 81 8.357 8.357 7.813 0.543 25588 446 1 . 1 1 82 82 GLU N N 82 122.800 122.800 122.355 0.445 25588 447 1 . 1 1 82 82 GLU HA H 82 4.128 4.128 3.863 0.265 25588 448 1 . 1 1 82 82 GLU C C 82 175.300 175.300 178.529 -3.229 25588 449 1 . 1 1 82 82 GLU CA C 82 56.270 56.270 59.703 -3.433 25588 450 1 . 1 1 82 82 GLU CB C 82 26.750 26.750 29.473 -2.723 25588 451 1 . 1 1 82 82 GLU H H 82 8.532 8.532 7.848 0.684 25588 452 1 . 1 1 83 83 GLU N N 83 119.400 119.400 117.295 2.105 25588 453 1 . 1 1 83 83 GLU HA H 83 4.034 4.034 4.135 -0.101 25588 454 1 . 1 1 83 83 GLU C C 83 176.000 176.000 179.233 -3.233 25588 455 1 . 1 1 83 83 GLU CA C 83 57.070 57.070 58.904 -1.834 25588 456 1 . 1 1 83 83 GLU H H 83 8.365 8.365 7.763 0.602 25588 457 1 . 1 1 84 84 GLU N N 84 118.700 118.700 119.830 -1.130 25588 458 1 . 1 1 84 84 GLU HA H 84 4.147 4.147 4.129 0.018 25588 459 1 . 1 1 84 84 GLU C C 84 177.000 177.000 179.351 -2.351 25588 460 1 . 1 1 84 84 GLU CA C 84 56.670 56.670 58.702 -2.032 25588 461 1 . 1 1 84 84 GLU CB C 84 26.800 26.800 29.512 -2.712 25588 462 1 . 1 1 84 84 GLU H H 84 8.073 8.073 7.600 0.473 25588 463 1 . 1 1 85 85 ILE N N 85 122.200 122.200 119.332 2.868 25588 464 1 . 1 1 85 85 ILE HA H 85 3.994 3.994 3.708 0.286 25588 465 1 . 1 1 85 85 ILE C C 85 175.300 175.300 177.469 -2.169 25588 466 1 . 1 1 85 85 ILE CA C 85 62.130 62.130 64.211 -2.081 25588 467 1 . 1 1 85 85 ILE CB C 85 34.500 34.500 37.499 -2.999 25588 468 1 . 1 1 85 85 ILE H H 85 8.043 8.043 8.867 -0.824 25588 469 1 . 1 1 86 86 ARG N N 86 121.700 121.700 119.944 1.756 25588 470 1 . 1 1 86 86 ARG C C 86 176.700 176.700 178.696 -1.996 25588 471 1 . 1 1 86 86 ARG CA C 86 57.360 57.360 59.781 -2.421 25588 472 1 . 1 1 86 86 ARG CB C 86 27.050 27.050 29.723 -2.673 25588 473 1 . 1 1 86 86 ARG H H 86 8.415 8.415 7.983 0.432 25588 474 1 . 1 1 87 87 GLU N N 87 118.600 118.600 119.354 -0.754 25588 475 1 . 1 1 87 87 GLU HA H 87 4.109 4.109 4.148 -0.039 25588 476 1 . 1 1 87 87 GLU C C 87 175.900 175.900 177.891 -1.991 25588 477 1 . 1 1 87 87 GLU CA C 87 56.430 56.430 58.880 -2.451 25588 478 1 . 1 1 87 87 GLU CB C 87 26.550 26.550 29.287 -2.737 25588 479 1 . 1 1 87 87 GLU H H 87 8.056 8.056 7.834 0.222 25588 480 1 . 1 1 88 88 ALA N N 88 122.000 122.000 121.110 0.890 25588 481 1 . 1 1 88 88 ALA HA H 88 4.218 4.218 4.191 0.027 25588 482 1 . 1 1 88 88 ALA C C 88 176.600 176.600 179.191 -2.591 25588 483 1 . 1 1 88 88 ALA CA C 88 52.450 52.450 54.213 -1.763 25588 484 1 . 1 1 88 88 ALA CB C 88 15.300 15.300 18.006 -2.706 25588 485 1 . 1 1 88 88 ALA H H 88 7.934 7.934 7.438 0.496 25588 486 1 . 1 1 89 89 PHE N N 89 118.900 118.900 120.562 -1.662 25588 487 1 . 1 1 89 89 PHE HA H 89 3.151 3.151 4.184 -1.033 25588 488 1 . 1 1 89 89 PHE C C 89 173.800 173.800 177.124 -3.324 25588 489 1 . 1 1 89 89 PHE CA C 89 59.500 59.500 61.489 -1.989 25588 490 1 . 1 1 89 89 PHE CB C 89 36.370 36.370 38.973 -2.603 25588 491 1 . 1 1 89 89 PHE H H 89 8.537 8.537 7.902 0.635 25588 492 1 . 1 1 90 90 ARG N N 90 115.600 115.600 118.838 -3.238 25588 493 1 . 1 1 90 90 ARG HA H 90 3.864 3.864 3.758 0.106 25588 494 1 . 1 1 90 90 ARG C C 90 175.500 175.500 178.087 -2.587 25588 495 1 . 1 1 90 90 ARG CA C 90 56.110 56.110 59.150 -3.040 25588 496 1 . 1 1 90 90 ARG CB C 90 27.650 27.650 30.074 -2.424 25588 497 1 . 1 1 90 90 ARG H H 90 7.656 7.656 7.836 -0.180 25588 498 1 . 1 1 91 91 VAL N N 91 118.300 118.300 118.374 -0.074 25588 499 1 . 1 1 91 91 VAL HA H 91 3.487 3.487 3.702 -0.215 25588 500 1 . 1 1 91 91 VAL C C 91 174.700 174.700 178.000 -3.300 25588 501 1 . 1 1 91 91 VAL CA C 91 63.010 63.010 65.954 -2.944 25588 502 1 . 1 1 91 91 VAL H H 91 7.496 7.496 7.496 0.000 25588 503 1 . 1 1 92 92 PHE N N 92 116.300 116.300 118.675 -2.375 25588 504 1 . 1 1 92 92 PHE C C 92 174.300 174.300 175.971 -1.671 25588 505 1 . 1 1 92 92 PHE CA C 92 57.410 57.410 60.458 -3.048 25588 506 1 . 1 1 92 92 PHE CB C 92 37.620 37.620 39.730 -2.110 25588 507 1 . 1 1 92 92 PHE H H 92 7.460 7.460 8.364 -0.904 25588 508 1 . 1 1 93 93 ASP N N 93 116.900 116.900 117.291 -0.392 25588 509 1 . 1 1 93 93 ASP HA H 93 4.504 4.504 4.687 -0.183 25588 510 1 . 1 1 93 93 ASP C C 93 174.900 174.900 175.667 -0.767 25588 511 1 . 1 1 93 93 ASP CA C 93 49.540 49.540 52.634 -3.094 25588 512 1 . 1 1 93 93 ASP H H 93 7.821 7.821 8.009 -0.188 25588 513 1 . 1 1 94 94 LYS N N 94 125.900 125.900 124.406 1.494 25588 514 1 . 1 1 94 94 LYS HA H 94 3.888 3.888 4.079 -0.191 25588 515 1 . 1 1 94 94 LYS C C 94 175.700 175.700 177.558 -1.858 25588 516 1 . 1 1 94 94 LYS CA C 94 56.410 56.410 58.546 -2.136 25588 517 1 . 1 1 94 94 LYS CB C 94 30.170 30.170 32.578 -2.408 25588 518 1 . 1 1 94 94 LYS H H 94 7.689 7.689 8.418 -0.729 25588 519 1 . 1 1 95 95 ASP N N 95 114.000 114.000 116.377 -2.376 25588 520 1 . 1 1 95 95 ASP HA H 95 4.554 4.554 4.380 0.174 25588 521 1 . 1 1 95 95 ASP C C 95 175.100 175.100 178.019 -2.919 25588 522 1 . 1 1 95 95 ASP CA C 95 50.320 50.320 55.406 -5.086 25588 523 1 . 1 1 95 95 ASP CB C 95 36.990 36.990 40.564 -3.574 25588 524 1 . 1 1 95 95 ASP H H 95 8.179 8.179 8.081 0.098 25588 525 1 . 1 1 96 96 GLY N N 96 109.300 109.300 109.789 -0.489 25588 526 1 . 1 1 96 96 GLY C C 96 172.500 172.500 175.495 -2.995 25588 527 1 . 1 1 96 96 GLY CA C 96 44.500 44.500 46.776 -2.276 25588 528 1 . 1 1 96 96 GLY H H 96 7.765 7.765 8.447 -0.682 25588 529 1 . 1 1 97 97 ASN N N 97 119.600 119.600 122.937 -3.337 25588 530 1 . 1 1 97 97 ASN HA H 97 4.644 4.644 4.558 0.086 25588 531 1 . 1 1 97 97 ASN C C 97 173.400 173.400 175.379 -1.979 25588 532 1 . 1 1 97 97 ASN CA C 97 50.070 50.070 54.064 -3.994 25588 533 1 . 1 1 97 97 ASN CB C 97 35.520 35.520 38.925 -3.405 25588 534 1 . 1 1 97 97 ASN H H 97 8.302 8.302 8.513 -0.211 25588 535 1 . 1 1 98 98 GLY N N 98 113.000 113.000 105.836 7.164 25588 536 1 . 1 1 98 98 GLY C C 98 169.800 169.800 172.252 -2.452 25588 537 1 . 1 1 98 98 GLY CA C 98 42.510 42.510 44.020 -1.511 25588 538 1 . 1 1 98 98 GLY H H 98 10.620 10.620 7.479 3.141 25588 539 1 . 1 1 99 99 TYR N N 99 115.900 115.900 117.778 -1.878 25588 540 1 . 1 1 99 99 TYR HA H 99 5.036 5.036 4.728 0.308 25588 541 1 . 1 1 99 99 TYR C C 99 171.900 171.900 175.818 -3.918 25588 542 1 . 1 1 99 99 TYR CA C 99 53.390 53.390 56.813 -3.423 25588 543 1 . 1 1 99 99 TYR CB C 99 40.530 40.530 41.131 -0.601 25588 544 1 . 1 1 99 99 TYR H H 99 7.597 7.597 7.907 -0.310 25588 545 1 . 1 1 100 100 ILE N N 100 127.400 127.400 123.847 3.553 25588 546 1 . 1 1 100 100 ILE HA H 100 4.779 4.779 4.357 0.422 25588 547 1 . 1 1 100 100 ILE C C 100 172.900 172.900 176.296 -3.396 25588 548 1 . 1 1 100 100 ILE CA C 100 57.660 57.660 61.230 -3.570 25588 549 1 . 1 1 100 100 ILE CB C 100 35.950 35.950 38.736 -2.786 25588 550 1 . 1 1 100 100 ILE H H 100 10.120 10.120 8.382 1.738 25588 551 1 . 1 1 101 101 SER N N 101 123.800 123.800 123.241 0.559 25588 552 1 . 1 1 101 101 SER C C 101 172.600 172.600 175.669 -3.069 25588 553 1 . 1 1 101 101 SER CA C 101 53.180 53.180 56.949 -3.769 25588 554 1 . 1 1 101 101 SER CB C 101 63.970 63.970 65.215 -1.245 25588 555 1 . 1 1 101 101 SER H H 101 8.944 8.944 8.329 0.615 25588 556 1 . 1 1 102 102 ALA N N 102 122.900 122.900 123.920 -1.020 25588 557 1 . 1 1 102 102 ALA HA H 102 3.914 3.914 4.051 -0.137 25588 558 1 . 1 1 102 102 ALA C C 102 176.700 176.700 178.971 -2.271 25588 559 1 . 1 1 102 102 ALA CA C 102 53.300 53.300 55.364 -2.064 25588 560 1 . 1 1 102 102 ALA CB C 102 15.450 15.450 18.305 -2.855 25588 561 1 . 1 1 102 102 ALA H H 102 9.178 9.178 8.960 0.218 25588 562 1 . 1 1 103 103 ALA N N 103 118.400 118.400 121.110 -2.710 25588 563 1 . 1 1 103 103 ALA C C 103 178.700 178.700 179.815 -1.115 25588 564 1 . 1 1 103 103 ALA CA C 103 52.550 52.550 54.999 -2.449 25588 565 1 . 1 1 103 103 ALA CB C 103 15.880 15.880 18.268 -2.388 25588 566 1 . 1 1 103 103 ALA H H 103 8.205 8.205 8.125 0.080 25588 567 1 . 1 1 104 104 GLU N N 104 119.700 119.700 118.507 1.193 25588 568 1 . 1 1 104 104 GLU C C 104 176.600 176.600 178.969 -2.369 25588 569 1 . 1 1 104 104 GLU CA C 104 56.640 56.640 58.885 -2.245 25588 570 1 . 1 1 104 104 GLU CB C 104 26.640 26.640 29.637 -2.997 25588 571 1 . 1 1 104 104 GLU H H 104 7.835 7.835 7.703 0.132 25588 572 1 . 1 1 105 105 LEU N N 105 121.000 121.000 121.275 -0.275 25588 573 1 . 1 1 105 105 LEU HA H 105 4.099 4.099 4.074 0.025 25588 574 1 . 1 1 105 105 LEU C C 105 175.800 175.800 178.116 -2.316 25588 575 1 . 1 1 105 105 LEU CA C 105 55.660 55.660 57.793 -2.133 25588 576 1 . 1 1 105 105 LEU CB C 105 34.560 34.560 41.955 -7.394 25588 577 1 . 1 1 105 105 LEU H H 105 8.571 8.571 8.152 0.419 25588 578 1 . 1 1 106 106 ARG N N 106 117.500 117.500 118.748 -1.248 25588 579 1 . 1 1 106 106 ARG C C 106 176.000 176.000 177.946 -1.946 25588 580 1 . 1 1 106 106 ARG CA C 106 57.230 57.230 60.297 -3.067 25588 581 1 . 1 1 106 106 ARG H H 106 8.522 8.522 8.101 0.421 25588 582 1 . 1 1 107 107 HIS N N 107 119.000 119.000 117.408 1.592 25588 583 1 . 1 1 107 107 HIS HA H 107 4.286 4.286 4.336 -0.050 25588 584 1 . 1 1 107 107 HIS C C 107 174.900 174.900 177.463 -2.563 25588 585 1 . 1 1 107 107 HIS CA C 107 57.090 57.090 59.760 -2.670 25588 586 1 . 1 1 107 107 HIS H H 107 7.889 7.889 7.862 0.027 25588 587 1 . 1 1 108 108 VAL N N 108 118.900 118.900 119.810 -0.910 25588 588 1 . 1 1 108 108 VAL HA H 108 3.485 3.485 3.647 -0.162 25588 589 1 . 1 1 108 108 VAL C C 108 175.400 175.400 178.139 -2.739 25588 590 1 . 1 1 108 108 VAL CA C 108 63.520 63.520 66.336 -2.816 25588 591 1 . 1 1 108 108 VAL CB C 108 29.200 29.200 31.486 -2.286 25588 592 1 . 1 1 108 108 VAL H H 108 7.958 7.958 7.473 0.485 25588 593 1 . 1 1 109 109 MET N N 109 116.400 116.400 117.938 -1.538 25588 594 1 . 1 1 109 109 MET HA H 109 4.331 4.331 4.191 0.140 25588 595 1 . 1 1 109 109 MET C C 109 176.000 176.000 178.799 -2.799 25588 596 1 . 1 1 109 109 MET CA C 109 54.910 54.910 57.822 -2.912 25588 597 1 . 1 1 109 109 MET CB C 109 28.750 28.750 31.263 -2.513 25588 598 1 . 1 1 109 109 MET H H 109 8.247 8.247 8.393 -0.146 25588 599 1 . 1 1 110 110 THR N N 110 114.900 114.900 115.431 -0.531 25588 600 1 . 1 1 110 110 THR HA H 110 4.152 4.152 4.078 0.074 25588 601 1 . 1 1 110 110 THR C C 110 175.000 175.000 175.992 -0.992 25588 602 1 . 1 1 110 110 THR CA C 110 63.270 63.270 66.012 -2.742 25588 603 1 . 1 1 110 110 THR CB C 110 66.230 66.230 68.436 -2.206 25588 604 1 . 1 1 110 110 THR H H 110 8.125 8.125 8.091 0.034 25588 605 1 . 1 1 111 111 ASN N N 111 122.200 122.200 118.383 3.817 25588 606 1 . 1 1 111 111 ASN HA H 111 4.437 4.437 4.434 0.003 25588 607 1 . 1 1 111 111 ASN C C 111 173.700 173.700 177.451 -3.751 25588 608 1 . 1 1 111 111 ASN CA C 111 53.070 53.070 55.410 -2.340 25588 609 1 . 1 1 111 111 ASN CB C 111 35.820 35.820 38.505 -2.685 25588 610 1 . 1 1 111 111 ASN H H 111 7.867 7.867 7.531 0.336 25588 611 1 . 1 1 112 112 LEU N N 112 119.100 119.100 119.257 -0.157 25588 612 1 . 1 1 112 112 LEU HA H 112 4.333 4.333 4.091 0.242 25588 613 1 . 1 1 112 112 LEU C C 112 174.700 174.700 176.810 -2.110 25588 614 1 . 1 1 112 112 LEU CA C 112 52.760 52.760 56.475 -3.715 25588 615 1 . 1 1 112 112 LEU CB C 112 39.450 39.450 42.663 -3.213 25588 616 1 . 1 1 112 112 LEU H H 112 7.850 7.850 7.324 0.526 25588 617 1 . 1 1 113 113 GLY N N 113 106.800 106.800 104.087 2.713 25588 618 1 . 1 1 113 113 GLY C C 113 171.700 171.700 172.263 -0.563 25588 619 1 . 1 1 113 113 GLY CA C 113 42.790 42.790 45.069 -2.279 25588 620 1 . 1 1 113 113 GLY H H 113 7.830 7.830 7.455 0.375 25588 621 1 . 1 1 114 114 GLU N N 114 120.600 120.600 119.596 1.004 25588 622 1 . 1 1 114 114 GLU HA H 114 4.400 4.400 4.647 -0.247 25588 623 1 . 1 1 114 114 GLU C C 114 172.800 172.800 177.172 -4.372 25588 624 1 . 1 1 114 114 GLU CA C 114 52.670 52.670 56.114 -3.444 25588 625 1 . 1 1 114 114 GLU CB C 114 27.960 27.960 30.504 -2.544 25588 626 1 . 1 1 114 114 GLU H H 114 7.914 7.914 8.675 -0.761 25588 627 1 . 1 1 115 115 LYS N N 115 124.000 124.000 120.017 3.983 25588 628 1 . 1 1 115 115 LYS HA H 115 4.357 4.357 4.123 0.234 25588 629 1 . 1 1 115 115 LYS C C 115 173.000 173.000 176.371 -3.371 25588 630 1 . 1 1 115 115 LYS CA C 115 53.020 53.020 58.391 -5.371 25588 631 1 . 1 1 115 115 LYS CB C 115 29.410 29.410 32.752 -3.342 25588 632 1 . 1 1 115 115 LYS H H 115 8.505 8.505 8.440 0.065 25588 633 1 . 1 1 116 116 LEU N N 116 125.000 125.000 116.991 8.009 25588 634 1 . 1 1 116 116 LEU HA H 116 4.759 4.759 4.560 0.199 25588 635 1 . 1 1 116 116 LEU C C 116 175.300 175.300 176.738 -1.438 25588 636 1 . 1 1 116 116 LEU CA C 116 51.420 51.420 53.066 -1.646 25588 637 1 . 1 1 116 116 LEU CB C 116 42.110 42.110 43.848 -1.738 25588 638 1 . 1 1 116 116 LEU H H 116 8.076 8.076 7.645 0.431 25588 639 1 . 1 1 117 117 THR N N 117 114.500 114.500 110.797 3.703 25588 640 1 . 1 1 117 117 THR HA H 117 4.453 4.453 4.246 0.207 25588 641 1 . 1 1 117 117 THR C C 117 172.800 172.800 174.342 -1.542 25588 642 1 . 1 1 117 117 THR CA C 117 57.970 57.970 61.902 -3.931 25588 643 1 . 1 1 117 117 THR CB C 117 68.610 68.610 69.901 -1.291 25588 644 1 . 1 1 117 117 THR H H 117 9.116 9.116 8.270 0.846 25588 645 1 . 1 1 118 118 ASP N N 118 121.000 121.000 119.331 1.669 25588 646 1 . 1 1 118 118 ASP HA H 118 4.196 4.196 4.633 -0.437 25588 647 1 . 1 1 118 118 ASP C C 118 175.900 175.900 177.607 -1.707 25588 648 1 . 1 1 118 118 ASP CA C 118 55.360 55.360 56.315 -0.955 25588 649 1 . 1 1 118 118 ASP CB C 118 37.110 37.110 40.966 -3.856 25588 650 1 . 1 1 118 118 ASP H H 118 8.847 8.847 8.654 0.193 25588 651 1 . 1 1 119 119 GLU N N 119 119.100 119.100 119.382 -0.282 25588 652 1 . 1 1 119 119 GLU HA H 119 4.070 4.070 4.429 -0.359 25588 653 1 . 1 1 119 119 GLU C C 119 176.500 176.500 177.513 -1.013 25588 654 1 . 1 1 119 119 GLU CA C 119 57.280 57.280 58.657 -1.377 25588 655 1 . 1 1 119 119 GLU CB C 119 26.430 26.430 29.602 -3.172 25588 656 1 . 1 1 119 119 GLU H H 119 8.626 8.626 8.427 0.199 25588 657 1 . 1 1 120 120 GLU N N 120 120.500 120.500 118.515 1.985 25588 658 1 . 1 1 120 120 GLU HA H 120 3.990 3.990 4.057 -0.067 25588 659 1 . 1 1 120 120 GLU C C 120 177.400 177.400 178.684 -1.284 25588 660 1 . 1 1 120 120 GLU CA C 120 56.590 56.590 59.360 -2.770 25588 661 1 . 1 1 120 120 GLU CB C 120 27.790 27.790 28.118 -0.328 25588 662 1 . 1 1 120 120 GLU H H 120 7.724 7.724 8.845 -1.121 25588 663 1 . 1 1 121 121 VAL N N 121 121.100 121.100 115.069 6.031 25588 664 1 . 1 1 121 121 VAL HA H 121 3.587 3.587 3.803 -0.216 25588 665 1 . 1 1 121 121 VAL C C 121 174.600 174.600 177.671 -3.071 25588 666 1 . 1 1 121 121 VAL CA C 121 64.310 64.310 65.419 -1.109 25588 667 1 . 1 1 121 121 VAL CB C 121 28.380 28.380 31.243 -2.863 25588 668 1 . 1 1 121 121 VAL H H 121 8.062 8.062 7.919 0.143 25588 669 1 . 1 1 122 122 ASP N N 122 119.600 119.600 121.546 -1.946 25588 670 1 . 1 1 122 122 ASP HA H 122 4.309 4.309 4.338 -0.029 25588 671 1 . 1 1 122 122 ASP C C 122 176.500 176.500 178.509 -2.009 25588 672 1 . 1 1 122 122 ASP CA C 122 55.000 55.000 57.308 -2.308 25588 673 1 . 1 1 122 122 ASP CB C 122 37.900 37.900 40.164 -2.264 25588 674 1 . 1 1 122 122 ASP H H 122 8.007 8.007 7.776 0.231 25588 675 1 . 1 1 123 123 GLU N N 123 119.300 119.300 118.347 0.953 25588 676 1 . 1 1 123 123 GLU HA H 123 3.998 3.998 4.172 -0.174 25588 677 1 . 1 1 123 123 GLU C C 123 175.400 175.400 178.550 -3.150 25588 678 1 . 1 1 123 123 GLU CA C 123 56.660 56.660 58.207 -1.547 25588 679 1 . 1 1 123 123 GLU CB C 123 26.790 26.790 29.907 -3.117 25588 680 1 . 1 1 123 123 GLU H H 123 7.967 7.967 8.153 -0.186 25588 681 1 . 1 1 124 124 MET N N 124 119.600 119.600 120.840 -1.240 25588 682 1 . 1 1 124 124 MET HA H 124 4.033 4.033 4.344 -0.311 25588 683 1 . 1 1 124 124 MET C C 124 176.500 176.500 178.502 -2.002 25588 684 1 . 1 1 124 124 MET CA C 124 56.970 56.970 58.286 -1.316 25588 685 1 . 1 1 124 124 MET CB C 124 30.470 30.470 32.425 -1.955 25588 686 1 . 1 1 124 124 MET H H 124 7.789 7.789 8.188 -0.399 25588 687 1 . 1 1 125 125 ILE N N 125 118.500 118.500 116.559 1.941 25588 688 1 . 1 1 125 125 ILE HA H 125 3.499 3.499 3.761 -0.262 25588 689 1 . 1 1 125 125 ILE C C 125 174.600 174.600 177.432 -2.832 25588 690 1 . 1 1 125 125 ILE CA C 125 61.190 61.190 63.665 -2.475 25588 691 1 . 1 1 125 125 ILE CB C 125 33.510 33.510 37.520 -4.010 25588 692 1 . 1 1 125 125 ILE H H 125 7.940 7.940 7.899 0.041 25588 693 1 . 1 1 126 126 ARG N N 126 118.300 118.300 119.413 -1.113 25588 694 1 . 1 1 126 126 ARG HA H 126 4.008 4.008 4.105 -0.097 25588 695 1 . 1 1 126 126 ARG C C 126 176.800 176.800 178.350 -1.550 25588 696 1 . 1 1 126 126 ARG CA C 126 57.100 57.100 59.156 -2.057 25588 697 1 . 1 1 126 126 ARG CB C 126 27.570 27.570 30.510 -2.940 25588 698 1 . 1 1 126 126 ARG H H 126 8.168 8.168 7.557 0.611 25588 699 1 . 1 1 127 127 GLU N N 127 116.300 116.300 119.460 -3.160 25588 700 1 . 1 1 127 127 GLU HA H 127 3.983 3.983 4.170 -0.187 25588 701 1 . 1 1 127 127 GLU C C 127 174.700 174.700 177.595 -2.895 25588 702 1 . 1 1 127 127 GLU CA C 127 55.880 55.880 58.418 -2.538 25588 703 1 . 1 1 127 127 GLU CB C 127 26.940 26.940 29.560 -2.620 25588 704 1 . 1 1 127 127 GLU H H 127 7.918 7.918 8.165 -0.247 25588 705 1 . 1 1 128 128 ALA N N 128 119.100 119.100 120.438 -1.338 25588 706 1 . 1 1 128 128 ALA HA H 128 4.418 4.418 4.067 0.351 25588 707 1 . 1 1 128 128 ALA CA C 128 49.510 49.510 53.932 -4.422 25588 708 1 . 1 1 128 128 ALA CB C 128 18.740 18.740 18.837 -0.097 25588 709 1 . 1 1 128 128 ALA H H 128 7.354 7.354 7.606 -0.252 25588 710 1 . 1 1 129 129 ASP N N 129 117.400 117.400 117.816 -0.416 25588 711 1 . 1 1 129 129 ASP HA H 129 4.502 4.502 4.660 -0.158 25588 712 1 . 1 1 129 129 ASP C C 129 173.400 173.400 176.799 -3.399 25588 713 1 . 1 1 129 129 ASP CA C 129 51.410 51.410 53.092 -1.682 25588 714 1 . 1 1 129 129 ASP CB C 129 37.700 37.700 42.231 -4.531 25588 715 1 . 1 1 129 129 ASP H H 129 7.871 7.871 7.600 0.271 25588 716 1 . 1 1 130 130 ILE N N 130 128.000 128.000 119.948 8.052 25588 717 1 . 1 1 130 130 ILE HA H 130 3.917 3.917 4.066 -0.149 25588 718 1 . 1 1 130 130 ILE C C 130 175.300 175.300 176.347 -1.047 25588 719 1 . 1 1 130 130 ILE CA C 130 60.710 60.710 61.923 -1.213 25588 720 1 . 1 1 130 130 ILE CB C 130 35.810 35.810 37.563 -1.753 25588 721 1 . 1 1 130 130 ILE H H 130 8.384 8.384 8.414 -0.030 25588 722 1 . 1 1 131 131 ASP N N 131 116.800 116.800 121.762 -4.962 25588 723 1 . 1 1 131 131 ASP HA H 131 4.550 4.550 4.486 0.064 25588 724 1 . 1 1 131 131 ASP C C 131 175.600 175.600 177.651 -2.051 25588 725 1 . 1 1 131 131 ASP CA C 131 51.220 51.220 56.177 -4.957 25588 726 1 . 1 1 131 131 ASP CB C 131 37.230 37.230 41.125 -3.895 25588 727 1 . 1 1 131 131 ASP H H 131 8.281 8.281 8.403 -0.122 25588 728 1 . 1 1 132 132 GLY N N 132 108.500 108.500 107.272 1.228 25588 729 1 . 1 1 132 132 GLY C C 132 172.600 172.600 174.906 -2.306 25588 730 1 . 1 1 132 132 GLY CA C 132 44.850 44.850 46.057 -1.207 25588 731 1 . 1 1 132 132 GLY H H 132 7.575 7.575 8.557 -0.982 25588 732 1 . 1 1 133 133 ASP N N 133 120.800 120.800 118.763 2.037 25588 733 1 . 1 1 133 133 ASP HA H 133 4.464 4.464 4.579 -0.115 25588 734 1 . 1 1 133 133 ASP C C 133 174.900 174.900 177.017 -2.117 25588 735 1 . 1 1 133 133 ASP CA C 133 50.990 50.990 53.336 -2.346 25588 736 1 . 1 1 133 133 ASP CB C 133 37.590 37.590 40.619 -3.029 25588 737 1 . 1 1 133 133 ASP H H 133 8.326 8.326 7.996 0.330 25588 738 1 . 1 1 134 134 GLY N N 134 112.900 112.900 109.018 3.882 25588 739 1 . 1 1 134 134 GLY C C 134 170.200 170.200 173.003 -2.803 25588 740 1 . 1 1 134 134 GLY CA C 134 43.050 43.050 45.513 -2.463 25588 741 1 . 1 1 134 134 GLY H H 134 10.310 10.310 8.057 2.253 25588 742 1 . 1 1 135 135 GLN N N 135 115.400 115.400 121.060 -5.660 25588 743 1 . 1 1 135 135 GLN HA H 135 4.860 4.860 4.867 -0.007 25588 744 1 . 1 1 135 135 GLN C C 135 172.100 172.100 173.644 -1.544 25588 745 1 . 1 1 135 135 GLN CA C 135 50.530 50.530 54.291 -3.761 25588 746 1 . 1 1 135 135 GLN CB C 135 30.020 30.020 32.660 -2.640 25588 747 1 . 1 1 135 135 GLN H H 135 7.937 7.937 8.149 -0.212 25588 748 1 . 1 1 136 136 VAL N N 136 125.500 125.500 122.496 3.004 25588 749 1 . 1 1 136 136 VAL HA H 136 5.190 5.190 4.644 0.546 25588 750 1 . 1 1 136 136 VAL C C 136 173.200 173.200 174.650 -1.450 25588 751 1 . 1 1 136 136 VAL CA C 136 59.100 59.100 60.760 -1.660 25588 752 1 . 1 1 136 136 VAL CB C 136 30.920 30.920 34.516 -3.596 25588 753 1 . 1 1 136 136 VAL H H 136 9.112 9.112 8.619 0.493 25588 754 1 . 1 1 137 137 ASN N N 137 129.000 129.000 122.865 6.135 25588 755 1 . 1 1 137 137 ASN HA H 137 5.232 5.232 5.256 -0.024 25588 756 1 . 1 1 137 137 ASN C C 137 172.200 172.200 174.968 -2.768 25588 757 1 . 1 1 137 137 ASN CA C 137 48.460 48.460 51.955 -3.495 25588 758 1 . 1 1 137 137 ASN CB C 137 35.690 35.690 41.867 -6.177 25588 759 1 . 1 1 137 137 ASN H H 137 9.509 9.509 8.183 1.326 25588 760 1 . 1 1 138 138 TYR N N 138 118.400 118.400 122.980 -4.580 25588 761 1 . 1 1 138 138 TYR HA H 138 3.424 3.424 4.272 -0.848 25588 762 1 . 1 1 138 138 TYR C C 138 173.500 173.500 177.103 -3.603 25588 763 1 . 1 1 138 138 TYR CA C 138 60.030 60.030 62.543 -2.513 25588 764 1 . 1 1 138 138 TYR H H 138 8.420 8.420 9.240 -0.820 25588 765 1 . 1 1 139 139 GLU N N 139 118.400 118.400 117.599 0.801 25588 766 1 . 1 1 139 139 GLU HA H 139 3.641 3.641 3.797 -0.156 25588 767 1 . 1 1 139 139 GLU C C 139 177.900 177.900 178.931 -1.031 25588 768 1 . 1 1 139 139 GLU CA C 139 57.740 57.740 60.046 -2.306 25588 769 1 . 1 1 139 139 GLU CB C 139 26.390 26.390 28.696 -2.306 25588 770 1 . 1 1 139 139 GLU H H 139 8.066 8.066 8.936 -0.870 25588 771 1 . 1 1 140 140 GLU N N 140 119.900 119.900 119.474 0.426 25588 772 1 . 1 1 140 140 GLU C C 140 176.700 176.700 178.648 -1.948 25588 773 1 . 1 1 140 140 GLU CA C 140 55.900 55.900 58.630 -2.730 25588 774 1 . 1 1 140 140 GLU CB C 140 27.200 27.200 29.384 -2.184 25588 775 1 . 1 1 140 140 GLU H H 140 8.728 8.728 8.141 0.587 25588 776 1 . 1 1 141 141 PHE N N 141 124.600 124.600 120.258 4.342 25588 777 1 . 1 1 141 141 PHE HA H 141 3.984 3.984 4.123 -0.139 25588 778 1 . 1 1 141 141 PHE C C 141 174.200 174.200 177.549 -3.349 25588 779 1 . 1 1 141 141 PHE CA C 141 58.960 58.960 61.985 -3.025 25588 780 1 . 1 1 141 141 PHE CB C 141 37.270 37.270 38.548 -1.278 25588 781 1 . 1 1 141 141 PHE H H 141 8.920 8.920 7.887 1.033 25588 782 1 . 1 1 142 142 VAL N N 142 119.300 119.300 117.715 1.585 25588 783 1 . 1 1 142 142 VAL HA H 142 3.121 3.121 3.519 -0.398 25588 784 1 . 1 1 142 142 VAL C C 142 176.900 176.900 177.350 -0.450 25588 785 1 . 1 1 142 142 VAL CA C 142 64.430 64.430 66.328 -1.898 25588 786 1 . 1 1 142 142 VAL H H 142 8.536 8.536 7.342 1.194 25588 787 1 . 1 1 143 143 GLN N N 143 118.200 118.200 116.912 1.288 25588 788 1 . 1 1 143 143 GLN HA H 143 3.851 3.851 4.033 -0.182 25588 789 1 . 1 1 143 143 GLN C C 143 175.300 175.300 178.084 -2.784 25588 790 1 . 1 1 143 143 GLN CA C 143 56.260 56.260 57.605 -1.346 25588 791 1 . 1 1 143 143 GLN H H 143 7.404 7.404 7.371 0.033 25588 792 1 . 1 1 144 144 MET N N 144 119.400 119.400 118.496 0.904 25588 793 1 . 1 1 144 144 MET HA H 144 4.107 4.107 4.163 -0.056 25588 794 1 . 1 1 144 144 MET C C 144 175.400 175.400 176.616 -1.216 25588 795 1 . 1 1 144 144 MET CA C 144 55.500 55.500 58.183 -2.683 25588 796 1 . 1 1 144 144 MET CB C 144 30.460 30.460 33.405 -2.945 25588 797 1 . 1 1 144 144 MET H H 144 7.878 7.878 7.839 0.039 25588 798 1 . 1 1 145 145 MET N N 145 115.000 115.000 117.350 -2.350 25588 799 1 . 1 1 145 145 MET HA H 145 4.281 4.281 4.589 -0.308 25588 800 1 . 1 1 145 145 MET C C 145 174.900 174.900 174.659 0.241 25588 801 1 . 1 1 145 145 MET CA C 145 52.740 52.740 55.572 -2.832 25588 802 1 . 1 1 145 145 MET H H 145 7.852 7.852 7.563 0.289 25588 803 1 . 1 1 146 146 THR N N 146 111.100 111.100 117.456 -6.356 25588 804 1 . 1 1 146 146 THR HA H 146 4.306 4.306 4.453 -0.147 25588 805 1 . 1 1 146 146 THR C C 146 171.600 171.600 173.696 -2.096 25588 806 1 . 1 1 146 146 THR CA C 146 59.830 59.830 62.032 -2.202 25588 807 1 . 1 1 146 146 THR CB C 146 67.510 67.510 69.073 -1.563 25588 808 1 . 1 1 146 146 THR H H 146 7.571 7.571 8.301 -0.730 25588 809 1 . 1 1 147 147 ALA N N 147 126.300 126.300 127.537 -1.236 25588 810 1 . 1 1 147 147 ALA HA H 147 4.300 4.300 4.074 0.226 25588 811 1 . 1 1 147 147 ALA C C 147 174.000 174.000 176.949 -2.949 25588 812 1 . 1 1 147 147 ALA CA C 147 50.190 50.190 54.174 -3.984 25588 813 1 . 1 1 147 147 ALA CB C 147 16.480 16.480 19.430 -2.950 25588 814 1 . 1 1 147 147 ALA H H 147 7.723 7.723 8.050 -0.327 25588 stop_ save_