data_18995 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18995 _Entry.PDB_ID 2M49 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 18995 _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 20 20 ARG C C 20 177.097 177.097 175.288 1.809 18995 2 1 1 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.770 4.330 18995 3 1 1 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.996 0.004 18995 4 1 1 . 1 1 21 21 GLU N N 21 116.519 116.519 119.599 -3.080 18995 5 1 1 . 1 1 21 21 GLU C C 21 175.055 175.055 175.072 -0.017 18995 6 1 1 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.653 0.947 18995 7 1 1 . 1 1 21 21 GLU CB C 21 35.700 35.700 34.786 0.914 18995 8 1 1 . 1 1 21 21 GLU H H 21 9.468 9.468 9.135 0.333 18995 9 1 1 . 1 1 22 22 GLY N N 22 122.197 122.197 107.852 14.345 18995 10 1 1 . 1 1 22 22 GLY C C 22 180.081 180.081 173.551 6.530 18995 11 1 1 . 1 1 22 22 GLY H H 22 10.096 10.096 9.277 0.819 18995 12 1 1 . 1 1 23 23 ASP N N 23 113.764 113.764 125.846 -12.082 18995 13 1 1 . 1 1 23 23 ASP C C 23 178.957 178.957 175.222 3.735 18995 14 1 1 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.439 2.061 18995 15 1 1 . 1 1 23 23 ASP H H 23 8.115 8.115 9.297 -1.182 18995 16 1 1 . 1 1 24 24 LYS N N 24 131.954 131.954 127.695 4.259 18995 17 1 1 . 1 1 24 24 LYS C C 24 176.539 176.539 175.393 1.146 18995 18 1 1 . 1 1 24 24 LYS CA C 24 58.200 58.200 54.975 3.225 18995 19 1 1 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.287 -1.587 18995 20 1 1 . 1 1 24 24 LYS H H 24 9.484 9.484 8.984 0.500 18995 21 1 1 . 1 1 25 25 HIS N N 25 119.313 119.313 128.538 -9.225 18995 22 1 1 . 1 1 25 25 HIS C C 25 172.815 172.815 174.936 -2.121 18995 23 1 1 . 1 1 25 25 HIS CA C 25 55.500 55.500 55.435 0.065 18995 24 1 1 . 1 1 25 25 HIS CB C 25 30.800 30.800 31.992 -1.192 18995 25 1 1 . 1 1 25 25 HIS H H 25 9.589 9.589 8.836 0.753 18995 26 1 1 . 1 1 26 26 LYS N N 26 115.394 115.394 126.261 -10.867 18995 27 1 1 . 1 1 26 26 LYS C C 26 174.608 174.608 175.522 -0.914 18995 28 1 1 . 1 1 26 26 LYS CA C 26 55.400 55.400 56.949 -1.548 18995 29 1 1 . 1 1 26 26 LYS CB C 26 39.100 39.100 32.143 6.957 18995 30 1 1 . 1 1 26 26 LYS H H 26 7.095 7.095 8.121 -1.026 18995 31 1 1 . 1 1 27 27 LEU N N 27 126.263 126.263 120.195 6.068 18995 32 1 1 . 1 1 27 27 LEU C C 27 175.637 175.637 176.379 -0.742 18995 33 1 1 . 1 1 27 27 LEU CA C 27 52.800 52.800 54.143 -1.343 18995 34 1 1 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.544 1.156 18995 35 1 1 . 1 1 27 27 LEU H H 27 9.595 9.595 7.105 2.490 18995 36 1 1 . 1 1 28 28 LYS N N 28 124.436 124.436 124.525 -0.089 18995 37 1 1 . 1 1 28 28 LYS C C 28 177.395 177.395 176.274 1.121 18995 38 1 1 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.563 -1.363 18995 39 1 1 . 1 1 28 28 LYS H H 28 9.711 9.711 8.755 0.956 18995 40 1 1 . 1 1 29 29 LYS N N 29 121.980 121.980 119.403 2.577 18995 41 1 1 . 1 1 29 29 LYS C C 29 177.400 177.400 174.770 2.630 18995 42 1 1 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.863 6.837 18995 43 1 1 . 1 1 29 29 LYS H H 29 9.084 9.084 7.571 1.513 18995 44 1 1 . 1 1 30 30 SER N N 30 111.519 111.519 113.193 -1.674 18995 45 1 1 . 1 1 30 30 SER C C 30 176.950 176.950 173.232 3.718 18995 46 1 1 . 1 1 30 30 SER CA C 30 61.100 61.100 56.794 4.306 18995 47 1 1 . 1 1 30 30 SER CB C 30 61.300 61.300 65.585 -4.285 18995 48 1 1 . 1 1 30 30 SER H H 30 8.267 8.267 7.148 1.119 18995 49 1 1 . 1 1 31 31 GLU N N 31 123.792 123.792 120.347 3.445 18995 50 1 1 . 1 1 31 31 GLU C C 31 179.463 179.463 176.895 2.568 18995 51 1 1 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.605 4.495 18995 52 1 1 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.370 -2.170 18995 53 1 1 . 1 1 31 31 GLU H H 31 6.603 6.603 9.618 -3.015 18995 54 1 1 . 1 1 32 32 LEU N N 32 121.954 121.954 124.893 -2.939 18995 55 1 1 . 1 1 32 32 LEU C C 32 176.995 176.995 175.632 1.363 18995 56 1 1 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.380 2.520 18995 57 1 1 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.156 0.144 18995 58 1 1 . 1 1 32 32 LEU H H 32 8.936 8.936 9.007 -0.071 18995 59 1 1 . 1 1 33 33 LYS N N 33 118.576 118.576 128.478 -9.902 18995 60 1 1 . 1 1 33 33 LYS C C 33 176.714 176.714 175.141 1.573 18995 61 1 1 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.824 5.676 18995 62 1 1 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.947 -2.047 18995 63 1 1 . 1 1 33 33 LYS H H 33 8.390 8.390 9.248 -0.858 18995 64 1 1 . 1 1 34 34 GLU N N 34 116.152 116.152 127.889 -11.737 18995 65 1 1 . 1 1 34 34 GLU C C 34 177.689 177.689 175.390 2.299 18995 66 1 1 . 1 1 34 34 GLU CA C 34 59.400 59.400 56.023 3.377 18995 67 1 1 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.993 -1.593 18995 68 1 1 . 1 1 34 34 GLU H H 34 7.326 7.326 8.072 -0.746 18995 69 1 1 . 1 1 35 35 LEU N N 35 123.632 123.632 127.562 -3.930 18995 70 1 1 . 1 1 35 35 LEU C C 35 178.845 178.845 176.276 2.569 18995 71 1 1 . 1 1 35 35 LEU CA C 35 59.800 59.800 52.275 7.525 18995 72 1 1 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.622 -1.622 18995 73 1 1 . 1 1 35 35 LEU H H 35 7.978 7.978 8.932 -0.954 18995 74 1 1 . 1 1 36 36 ILE C C 36 178.328 178.328 176.087 2.241 18995 75 1 1 . 1 1 36 36 ILE CA C 36 66.300 66.300 63.241 3.059 18995 76 1 1 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.270 0.430 18995 77 1 1 . 1 1 37 37 ASN N N 37 118.242 118.242 112.897 5.345 18995 78 1 1 . 1 1 37 37 ASN C C 37 177.052 177.052 176.796 0.256 18995 79 1 1 . 1 1 37 37 ASN CA C 37 54.800 54.800 53.356 1.444 18995 80 1 1 . 1 1 37 37 ASN CB C 37 37.500 37.500 37.889 -0.389 18995 81 1 1 . 1 1 37 37 ASN H H 37 8.336 8.336 8.496 -0.160 18995 82 1 1 . 1 1 38 38 ASN N N 38 114.845 114.845 118.871 -4.026 18995 83 1 1 . 1 1 38 38 ASN C C 38 176.578 176.578 174.630 1.948 18995 84 1 1 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.743 2.457 18995 85 1 1 . 1 1 38 38 ASN H H 38 8.213 8.213 8.085 0.128 18995 86 1 1 . 1 1 39 39 GLU N N 39 113.797 113.797 120.780 -6.983 18995 87 1 1 . 1 1 39 39 GLU C C 39 177.689 177.689 174.456 3.233 18995 88 1 1 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.540 -1.340 18995 89 1 1 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.236 0.064 18995 90 1 1 . 1 1 39 39 GLU H H 39 8.522 8.522 8.497 0.025 18995 91 1 1 . 1 1 40 40 LEU N N 40 119.982 119.982 121.478 -1.496 18995 92 1 1 . 1 1 40 40 LEU C C 40 177.212 177.212 175.620 1.592 18995 93 1 1 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.365 0.735 18995 94 1 1 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.355 -1.655 18995 95 1 1 . 1 1 40 40 LEU H H 40 7.552 7.552 8.537 -0.985 18995 96 1 1 . 1 1 41 41 SER N N 41 114.635 114.635 120.474 -5.839 18995 97 1 1 . 1 1 41 41 SER C C 41 175.688 175.688 172.653 3.035 18995 98 1 1 . 1 1 41 41 SER CA C 41 60.800 60.800 56.956 3.844 18995 99 1 1 . 1 1 41 41 SER CB C 41 64.100 64.100 67.248 -3.148 18995 100 1 1 . 1 1 41 41 SER H H 41 7.592 7.592 9.103 -1.511 18995 101 1 1 . 1 1 42 42 HIS N N 42 122.397 122.397 115.879 6.518 18995 102 1 1 . 1 1 42 42 HIS C C 42 175.523 175.523 172.715 2.808 18995 103 1 1 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.249 3.451 18995 104 1 1 . 1 1 42 42 HIS H H 42 10.406 10.406 8.423 1.983 18995 105 1 1 . 1 1 43 43 PHE N N 43 117.618 117.618 122.671 -5.053 18995 106 1 1 . 1 1 43 43 PHE C C 43 177.431 177.431 175.838 1.593 18995 107 1 1 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.605 3.195 18995 108 1 1 . 1 1 43 43 PHE H H 43 7.785 7.785 8.392 -0.607 18995 109 1 1 . 1 1 44 44 LEU N N 44 120.185 120.185 126.664 -6.479 18995 110 1 1 . 1 1 44 44 LEU C C 44 175.829 175.829 176.555 -0.726 18995 111 1 1 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.537 -2.737 18995 112 1 1 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.612 2.388 18995 113 1 1 . 1 1 44 44 LEU H H 44 8.533 8.533 8.822 -0.289 18995 114 1 1 . 1 1 45 45 GLU N N 45 121.499 121.499 121.034 0.465 18995 115 1 1 . 1 1 45 45 GLU C C 45 175.060 175.060 177.422 -2.362 18995 116 1 1 . 1 1 45 45 GLU CA C 45 56.600 56.600 57.059 -0.460 18995 117 1 1 . 1 1 45 45 GLU CB C 45 30.600 30.600 28.525 2.075 18995 118 1 1 . 1 1 45 45 GLU H H 45 8.130 8.130 8.610 -0.480 18995 119 1 1 . 1 1 46 46 GLU N N 46 122.480 122.480 124.959 -2.479 18995 120 1 1 . 1 1 46 46 GLU C C 46 176.861 176.861 176.118 0.743 18995 121 1 1 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.655 -0.855 18995 122 1 1 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.029 1.671 18995 123 1 1 . 1 1 46 46 GLU H H 46 8.123 8.123 8.388 -0.265 18995 124 1 1 . 1 1 47 47 ILE N N 47 127.680 127.680 119.033 8.647 18995 125 1 1 . 1 1 47 47 ILE C C 47 175.931 175.931 175.940 -0.009 18995 126 1 1 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.370 0.730 18995 127 1 1 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.858 0.742 18995 128 1 1 . 1 1 47 47 ILE H H 47 9.897 9.897 7.696 2.201 18995 129 1 1 . 1 1 48 48 LYS N N 48 126.846 126.846 123.548 3.298 18995 130 1 1 . 1 1 48 48 LYS C C 48 175.896 175.896 175.561 0.335 18995 131 1 1 . 1 1 48 48 LYS CA C 48 56.600 56.600 53.855 2.745 18995 132 1 1 . 1 1 48 48 LYS CB C 48 34.700 34.700 33.670 1.030 18995 133 1 1 . 1 1 48 48 LYS H H 48 9.077 9.077 7.481 1.596 18995 134 1 1 . 1 1 49 49 GLU C C 49 179.470 179.470 174.754 4.716 18995 135 1 1 . 1 1 49 49 GLU CA C 49 55.600 55.600 56.469 -0.869 18995 136 1 1 . 1 1 49 49 GLU CB C 49 31.800 31.800 28.158 3.642 18995 137 1 1 . 1 1 50 50 GLN N N 50 125.850 125.850 117.686 8.164 18995 138 1 1 . 1 1 50 50 GLN C C 50 176.883 176.883 175.573 1.310 18995 139 1 1 . 1 1 50 50 GLN CA C 50 58.500 58.500 55.979 2.521 18995 140 1 1 . 1 1 50 50 GLN CB C 50 28.400 28.400 30.719 -2.319 18995 141 1 1 . 1 1 50 50 GLN H H 50 9.041 9.041 8.067 0.974 18995 142 1 1 . 1 1 51 51 GLU N N 51 117.404 117.404 113.726 3.678 18995 143 1 1 . 1 1 51 51 GLU C C 51 178.262 178.262 175.435 2.827 18995 144 1 1 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.848 3.852 18995 145 1 1 . 1 1 51 51 GLU CB C 51 29.300 29.300 30.103 -0.803 18995 146 1 1 . 1 1 51 51 GLU H H 51 9.352 9.352 7.311 2.041 18995 147 1 1 . 1 1 52 52 VAL N N 52 118.888 118.888 122.806 -3.918 18995 148 1 1 . 1 1 52 52 VAL C C 52 177.677 177.677 174.538 3.139 18995 149 1 1 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.576 4.524 18995 150 1 1 . 1 1 52 52 VAL CB C 52 31.700 31.700 30.468 1.232 18995 151 1 1 . 1 1 52 52 VAL H H 52 7.247 7.247 7.809 -0.562 18995 152 1 1 . 1 1 53 53 VAL N N 53 119.906 119.906 123.598 -3.692 18995 153 1 1 . 1 1 53 53 VAL C C 53 176.742 176.742 174.606 2.136 18995 154 1 1 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.768 5.432 18995 155 1 1 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.915 -3.315 18995 156 1 1 . 1 1 53 53 VAL H H 53 7.264 7.264 9.059 -1.795 18995 157 1 1 . 1 1 54 54 ASP N N 54 121.483 121.483 121.221 0.262 18995 158 1 1 . 1 1 54 54 ASP C C 54 178.291 178.291 174.346 3.945 18995 159 1 1 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.255 5.945 18995 160 1 1 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.480 -4.480 18995 161 1 1 . 1 1 54 54 ASP H H 54 8.524 8.524 9.124 -0.600 18995 162 1 1 . 1 1 55 55 LYS N N 55 120.875 120.875 127.920 -7.045 18995 163 1 1 . 1 1 55 55 LYS C C 55 179.054 179.054 176.234 2.820 18995 164 1 1 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.765 3.135 18995 165 1 1 . 1 1 55 55 LYS CB C 55 32.200 32.200 32.140 0.060 18995 166 1 1 . 1 1 55 55 LYS H H 55 7.580 7.580 8.877 -1.297 18995 167 1 1 . 1 1 56 56 VAL N N 56 121.960 121.960 123.670 -1.710 18995 168 1 1 . 1 1 56 56 VAL C C 56 178.221 178.221 175.331 2.890 18995 169 1 1 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.496 5.504 18995 170 1 1 . 1 1 56 56 VAL CB C 56 31.700 31.700 32.972 -1.272 18995 171 1 1 . 1 1 56 56 VAL H H 56 8.279 8.279 8.423 -0.144 18995 172 1 1 . 1 1 57 57 MET N N 57 118.815 118.815 126.773 -7.958 18995 173 1 1 . 1 1 57 57 MET C C 57 176.888 176.888 175.449 1.439 18995 174 1 1 . 1 1 57 57 MET CA C 57 57.900 57.900 54.678 3.222 18995 175 1 1 . 1 1 57 57 MET CB C 57 32.900 32.900 33.132 -0.232 18995 176 1 1 . 1 1 57 57 MET H H 57 8.467 8.467 8.956 -0.489 18995 177 1 1 . 1 1 58 58 GLU N N 58 117.894 117.894 125.326 -7.432 18995 178 1 1 . 1 1 58 58 GLU C C 58 178.510 178.510 176.413 2.097 18995 179 1 1 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.077 2.323 18995 180 1 1 . 1 1 58 58 GLU CB C 58 29.800 29.800 31.034 -1.234 18995 181 1 1 . 1 1 58 58 GLU H H 58 8.073 8.073 8.864 -0.791 18995 182 1 1 . 1 1 59 59 THR N N 59 113.244 113.244 112.823 0.421 18995 183 1 1 . 1 1 59 59 THR C C 59 174.778 174.778 172.704 2.074 18995 184 1 1 . 1 1 59 59 THR CA C 59 65.600 65.600 60.038 5.561 18995 185 1 1 . 1 1 59 59 THR CB C 59 69.600 69.600 71.210 -1.610 18995 186 1 1 . 1 1 59 59 THR H H 59 7.739 7.739 7.437 0.302 18995 187 1 1 . 1 1 60 60 LEU N N 60 119.636 119.636 123.288 -3.652 18995 188 1 1 . 1 1 60 60 LEU C C 60 177.561 177.561 177.295 0.266 18995 189 1 1 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.530 -0.930 18995 190 1 1 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.104 2.196 18995 191 1 1 . 1 1 60 60 LEU H H 60 7.643 7.643 8.685 -1.042 18995 192 1 1 . 1 1 61 61 ASP N N 61 117.424 117.424 124.947 -7.523 18995 193 1 1 . 1 1 61 61 ASP C C 61 175.915 175.915 174.649 1.266 18995 194 1 1 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.855 0.745 18995 195 1 1 . 1 1 61 61 ASP H H 61 7.984 7.984 8.603 -0.619 18995 196 1 1 . 1 1 62 62 ASN N N 62 127.650 127.650 122.802 4.848 18995 197 1 1 . 1 1 62 62 ASN C C 62 175.905 175.905 174.540 1.365 18995 198 1 1 . 1 1 62 62 ASN CA C 62 54.900 54.900 53.043 1.857 18995 199 1 1 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.112 1.288 18995 200 1 1 . 1 1 62 62 ASN H H 62 9.032 9.032 8.048 0.984 18995 201 1 1 . 1 1 63 63 ASP N N 63 116.676 116.676 123.650 -6.974 18995 202 1 1 . 1 1 63 63 ASP C C 63 177.604 177.604 175.214 2.390 18995 203 1 1 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.930 2.470 18995 204 1 1 . 1 1 63 63 ASP CB C 63 40.200 40.200 44.592 -4.392 18995 205 1 1 . 1 1 63 63 ASP H H 63 8.302 8.302 9.583 -1.281 18995 206 1 1 . 1 1 64 64 GLY N N 64 109.334 109.334 112.927 -3.593 18995 207 1 1 . 1 1 64 64 GLY C C 64 174.834 174.834 174.747 0.087 18995 208 1 1 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.232 4.468 18995 209 1 1 . 1 1 64 64 GLY H H 64 7.681 7.681 9.122 -1.441 18995 210 1 1 . 1 1 65 65 ASP N N 65 120.960 120.960 128.180 -7.220 18995 211 1 1 . 1 1 65 65 ASP C C 65 177.010 177.010 174.991 2.019 18995 212 1 1 . 1 1 65 65 ASP CA C 65 53.800 53.800 54.379 -0.579 18995 213 1 1 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.390 -0.090 18995 214 1 1 . 1 1 65 65 ASP H H 65 8.386 8.386 9.392 -1.006 18995 215 1 1 . 1 1 66 66 GLY N N 66 113.875 113.875 117.665 -3.790 18995 216 1 1 . 1 1 66 66 GLY C C 66 172.343 172.343 174.166 -1.823 18995 217 1 1 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.830 3.070 18995 218 1 1 . 1 1 66 66 GLY H H 66 10.212 10.212 9.011 1.201 18995 219 1 1 . 1 1 67 67 GLU N N 67 118.701 118.701 125.546 -6.845 18995 220 1 1 . 1 1 67 67 GLU C C 67 174.711 174.711 176.234 -1.523 18995 221 1 1 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.686 -0.486 18995 222 1 1 . 1 1 67 67 GLU H H 67 7.949 7.949 9.042 -1.093 18995 223 1 1 . 1 1 68 68 CYS N N 68 124.753 124.753 127.140 -2.387 18995 224 1 1 . 1 1 68 68 CYS C C 68 174.411 174.411 176.711 -2.300 18995 225 1 1 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.872 -5.872 18995 226 1 1 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.881 0.219 18995 227 1 1 . 1 1 68 68 CYS H H 68 9.486 9.486 8.884 0.602 18995 228 1 1 . 1 1 69 69 ASP N N 69 132.376 132.376 119.515 12.861 18995 229 1 1 . 1 1 69 69 ASP C C 69 175.307 175.307 175.280 0.027 18995 230 1 1 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.335 -1.035 18995 231 1 1 . 1 1 69 69 ASP CB C 69 40.600 40.600 39.361 1.239 18995 232 1 1 . 1 1 69 69 ASP H H 69 9.911 9.911 8.610 1.301 18995 233 1 1 . 1 1 70 70 PHE N N 70 119.131 119.131 120.212 -1.081 18995 234 1 1 . 1 1 70 70 PHE C C 70 176.482 176.482 175.363 1.119 18995 235 1 1 . 1 1 70 70 PHE CA C 70 62.900 62.900 58.361 4.539 18995 236 1 1 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.377 -1.277 18995 237 1 1 . 1 1 70 70 PHE H H 70 9.075 9.075 8.287 0.788 18995 238 1 1 . 1 1 71 71 GLN N N 71 119.323 119.323 118.102 1.221 18995 239 1 1 . 1 1 71 71 GLN C C 71 179.517 179.517 174.055 5.462 18995 240 1 1 . 1 1 71 71 GLN CA C 71 60.100 60.100 57.049 3.051 18995 241 1 1 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.699 0.501 18995 242 1 1 . 1 1 71 71 GLN H H 71 8.047 8.047 8.369 -0.322 18995 243 1 1 . 1 1 72 72 GLU N N 72 123.228 123.228 116.210 7.018 18995 244 1 1 . 1 1 72 72 GLU C C 72 179.337 179.337 175.367 3.970 18995 245 1 1 . 1 1 72 72 GLU CA C 72 58.900 58.900 55.037 3.863 18995 246 1 1 . 1 1 72 72 GLU CB C 72 30.300 30.300 32.634 -2.334 18995 247 1 1 . 1 1 72 72 GLU H H 72 9.061 9.061 7.301 1.760 18995 248 1 1 . 1 1 73 73 PHE N N 73 123.155 123.155 119.633 3.522 18995 249 1 1 . 1 1 73 73 PHE C C 73 176.497 176.497 175.520 0.977 18995 250 1 1 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.480 3.320 18995 251 1 1 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.844 -1.144 18995 252 1 1 . 1 1 73 73 PHE H H 73 8.863 8.863 9.419 -0.556 18995 253 1 1 . 1 1 74 74 MET N N 74 119.622 119.622 122.522 -2.900 18995 254 1 1 . 1 1 74 74 MET C C 74 178.476 178.476 174.697 3.779 18995 255 1 1 . 1 1 74 74 MET CA C 74 56.200 56.200 55.706 0.494 18995 256 1 1 . 1 1 74 74 MET CB C 74 30.400 30.400 33.603 -3.203 18995 257 1 1 . 1 1 74 74 MET H H 74 8.217 8.217 9.073 -0.856 18995 258 1 1 . 1 1 75 75 ALA N N 75 123.073 123.073 128.843 -5.770 18995 259 1 1 . 1 1 75 75 ALA C C 75 180.129 180.129 175.153 4.976 18995 260 1 1 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.271 4.929 18995 261 1 1 . 1 1 75 75 ALA H H 75 7.490 7.490 9.342 -1.852 18995 262 1 1 . 1 1 76 76 PHE N N 76 122.171 122.171 123.251 -1.080 18995 263 1 1 . 1 1 76 76 PHE C C 76 176.365 176.365 174.929 1.436 18995 264 1 1 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.502 2.298 18995 265 1 1 . 1 1 76 76 PHE CB C 76 38.600 38.600 42.521 -3.921 18995 266 1 1 . 1 1 76 76 PHE H H 76 7.676 7.676 8.182 -0.506 18995 267 1 1 . 1 1 77 77 VAL N N 77 119.765 119.765 123.715 -3.950 18995 268 1 1 . 1 1 77 77 VAL C C 77 179.175 179.175 177.736 1.439 18995 269 1 1 . 1 1 77 77 VAL CA C 77 66.800 66.800 59.933 6.867 18995 270 1 1 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.480 -1.280 18995 271 1 1 . 1 1 77 77 VAL H H 77 8.498 8.498 8.572 -0.074 18995 272 1 1 . 1 1 78 78 ALA N N 78 123.880 123.880 122.441 1.439 18995 273 1 1 . 1 1 78 78 ALA C C 78 178.630 178.630 177.305 1.325 18995 274 1 1 . 1 1 78 78 ALA CA C 78 56.100 56.100 54.980 1.120 18995 275 1 1 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.550 -0.250 18995 276 1 1 . 1 1 78 78 ALA H H 78 8.193 8.193 8.797 -0.604 18995 277 1 1 . 1 1 79 79 MET N N 79 120.537 120.537 113.793 6.744 18995 278 1 1 . 1 1 79 79 MET C C 79 178.430 178.430 176.805 1.625 18995 279 1 1 . 1 1 79 79 MET CA C 79 59.500 59.500 54.820 4.680 18995 280 1 1 . 1 1 79 79 MET CB C 79 32.800 32.800 31.963 0.837 18995 281 1 1 . 1 1 79 79 MET H H 79 7.883 7.883 7.747 0.136 18995 282 1 1 . 1 1 80 80 VAL N N 80 120.374 120.374 118.566 1.808 18995 283 1 1 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.620 4.580 18995 284 1 1 . 1 1 80 80 VAL H H 80 8.299 8.299 7.590 0.709 18995 285 1 1 . 1 1 82 82 THR C C 82 175.144 175.144 172.309 2.835 18995 286 1 1 . 1 1 82 82 THR CA C 82 65.800 65.800 61.068 4.732 18995 287 1 1 . 1 1 83 83 ALA N N 83 123.244 123.244 122.960 0.284 18995 288 1 1 . 1 1 83 83 ALA C C 83 178.574 178.574 175.262 3.312 18995 289 1 1 . 1 1 83 83 ALA CA C 83 53.900 53.900 49.684 4.216 18995 290 1 1 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.962 -2.962 18995 291 1 1 . 1 1 83 83 ALA H H 83 7.587 7.587 8.522 -0.935 18995 292 1 1 . 1 1 84 84 CYS N N 84 116.910 116.910 117.487 -0.577 18995 293 1 1 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.014 2.786 18995 294 1 1 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.170 -1.270 18995 295 1 1 . 1 1 84 84 CYS H H 84 7.788 7.788 8.499 -0.711 18995 296 1 1 . 1 1 86 86 GLU CA C 86 58.600 58.600 57.631 0.969 18995 297 1 1 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.286 -0.886 18995 298 1 1 . 1 1 87 87 PHE N N 87 118.550 118.550 119.559 -1.009 18995 299 1 1 . 1 1 87 87 PHE C C 87 175.597 175.597 174.332 1.265 18995 300 1 1 . 1 1 87 87 PHE CA C 87 59.100 59.100 57.211 1.889 18995 301 1 1 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.951 -1.551 18995 302 1 1 . 1 1 87 87 PHE H H 87 7.838 7.838 7.619 0.219 18995 303 1 1 . 1 1 88 88 PHE N N 88 118.438 118.438 125.648 -7.210 18995 304 1 1 . 1 1 88 88 PHE C C 88 175.241 175.241 175.715 -0.474 18995 305 1 1 . 1 1 88 88 PHE CA C 88 58.200 58.200 58.328 -0.128 18995 306 1 1 . 1 1 88 88 PHE CB C 88 39.700 39.700 36.994 2.706 18995 307 1 1 . 1 1 88 88 PHE H H 88 7.718 7.718 8.556 -0.838 18995 308 1 1 . 1 1 89 89 GLU N N 89 121.366 121.366 126.412 -5.046 18995 309 1 1 . 1 1 89 89 GLU C C 89 175.437 175.437 176.985 -1.548 18995 310 1 1 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.051 2.549 18995 311 1 1 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.574 -1.274 18995 312 1 1 . 1 1 89 89 GLU H H 89 7.959 7.959 7.893 0.066 18995 313 1 1 . 1 1 90 90 HIS N N 90 120.349 120.349 117.217 3.132 18995 314 1 1 . 1 1 90 90 HIS C C 90 173.652 173.652 176.124 -2.472 18995 315 1 1 . 1 1 90 90 HIS CA C 90 55.800 55.800 58.200 -2.400 18995 316 1 1 . 1 1 90 90 HIS CB C 90 30.100 30.100 28.892 1.208 18995 317 1 1 . 1 1 90 90 HIS H H 90 8.116 8.116 8.712 -0.596 18995 318 1 1 . 1 1 91 91 GLU N N 91 127.965 127.965 118.575 9.390 18995 319 1 1 . 1 1 91 91 GLU H H 91 8.235 8.235 7.637 0.598 18995 320 1 2 . 1 1 20 20 ARG C C 20 177.097 177.097 174.964 2.133 18995 321 1 2 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.652 4.448 18995 322 1 2 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.870 0.130 18995 323 1 2 . 1 1 21 21 GLU N N 21 116.519 116.519 121.136 -4.617 18995 324 1 2 . 1 1 21 21 GLU C C 21 175.055 175.055 175.534 -0.479 18995 325 1 2 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.895 0.705 18995 326 1 2 . 1 1 21 21 GLU CB C 21 35.700 35.700 34.466 1.234 18995 327 1 2 . 1 1 21 21 GLU H H 21 9.468 9.468 9.229 0.239 18995 328 1 2 . 1 1 22 22 GLY N N 22 122.197 122.197 110.050 12.147 18995 329 1 2 . 1 1 22 22 GLY C C 22 180.081 180.081 173.875 6.206 18995 330 1 2 . 1 1 22 22 GLY H H 22 10.096 10.096 9.207 0.889 18995 331 1 2 . 1 1 23 23 ASP N N 23 113.764 113.764 125.835 -12.071 18995 332 1 2 . 1 1 23 23 ASP C C 23 178.957 178.957 175.292 3.665 18995 333 1 2 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.202 2.298 18995 334 1 2 . 1 1 23 23 ASP H H 23 8.115 8.115 9.294 -1.179 18995 335 1 2 . 1 1 24 24 LYS N N 24 131.954 131.954 127.683 4.271 18995 336 1 2 . 1 1 24 24 LYS C C 24 176.539 176.539 175.658 0.881 18995 337 1 2 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.453 2.747 18995 338 1 2 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.017 -1.317 18995 339 1 2 . 1 1 24 24 LYS H H 24 9.484 9.484 8.983 0.501 18995 340 1 2 . 1 1 25 25 HIS N N 25 119.313 119.313 128.983 -9.670 18995 341 1 2 . 1 1 25 25 HIS C C 25 172.815 172.815 174.947 -2.132 18995 342 1 2 . 1 1 25 25 HIS CA C 25 55.500 55.500 55.497 0.003 18995 343 1 2 . 1 1 25 25 HIS CB C 25 30.800 30.800 31.820 -1.020 18995 344 1 2 . 1 1 25 25 HIS H H 25 9.589 9.589 8.965 0.624 18995 345 1 2 . 1 1 26 26 LYS N N 26 115.394 115.394 126.629 -11.235 18995 346 1 2 . 1 1 26 26 LYS C C 26 174.608 174.608 175.657 -1.049 18995 347 1 2 . 1 1 26 26 LYS CA C 26 55.400 55.400 57.641 -2.241 18995 348 1 2 . 1 1 26 26 LYS CB C 26 39.100 39.100 32.231 6.869 18995 349 1 2 . 1 1 26 26 LYS H H 26 7.095 7.095 8.352 -1.257 18995 350 1 2 . 1 1 27 27 LEU N N 27 126.263 126.263 119.756 6.507 18995 351 1 2 . 1 1 27 27 LEU C C 27 175.637 175.637 176.032 -0.395 18995 352 1 2 . 1 1 27 27 LEU CA C 27 52.800 52.800 54.083 -1.283 18995 353 1 2 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.358 1.342 18995 354 1 2 . 1 1 27 27 LEU H H 27 9.595 9.595 7.102 2.493 18995 355 1 2 . 1 1 28 28 LYS N N 28 124.436 124.436 124.402 0.034 18995 356 1 2 . 1 1 28 28 LYS C C 28 177.395 177.395 176.190 1.205 18995 357 1 2 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.377 -1.177 18995 358 1 2 . 1 1 28 28 LYS H H 28 9.711 9.711 8.537 1.174 18995 359 1 2 . 1 1 29 29 LYS N N 29 121.980 121.980 118.974 3.006 18995 360 1 2 . 1 1 29 29 LYS C C 29 177.400 177.400 174.956 2.444 18995 361 1 2 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.957 6.743 18995 362 1 2 . 1 1 29 29 LYS H H 29 9.084 9.084 7.449 1.635 18995 363 1 2 . 1 1 30 30 SER N N 30 111.519 111.519 113.317 -1.798 18995 364 1 2 . 1 1 30 30 SER C C 30 176.950 176.950 173.292 3.658 18995 365 1 2 . 1 1 30 30 SER CA C 30 61.100 61.100 57.029 4.071 18995 366 1 2 . 1 1 30 30 SER CB C 30 61.300 61.300 65.262 -3.962 18995 367 1 2 . 1 1 30 30 SER H H 30 8.267 8.267 7.175 1.092 18995 368 1 2 . 1 1 31 31 GLU N N 31 123.792 123.792 120.000 3.792 18995 369 1 2 . 1 1 31 31 GLU C C 31 179.463 179.463 176.890 2.573 18995 370 1 2 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.240 4.859 18995 371 1 2 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.110 -1.910 18995 372 1 2 . 1 1 31 31 GLU H H 31 6.603 6.603 9.474 -2.871 18995 373 1 2 . 1 1 32 32 LEU N N 32 121.954 121.954 124.671 -2.717 18995 374 1 2 . 1 1 32 32 LEU C C 32 176.995 176.995 175.783 1.212 18995 375 1 2 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.370 2.530 18995 376 1 2 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.153 0.147 18995 377 1 2 . 1 1 32 32 LEU H H 32 8.936 8.936 8.873 0.063 18995 378 1 2 . 1 1 33 33 LYS N N 33 118.576 118.576 128.729 -10.153 18995 379 1 2 . 1 1 33 33 LYS C C 33 176.714 176.714 175.129 1.585 18995 380 1 2 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.851 5.649 18995 381 1 2 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.135 -1.235 18995 382 1 2 . 1 1 33 33 LYS H H 33 8.390 8.390 9.287 -0.896 18995 383 1 2 . 1 1 34 34 GLU N N 34 116.152 116.152 128.355 -12.203 18995 384 1 2 . 1 1 34 34 GLU C C 34 177.689 177.689 175.429 2.260 18995 385 1 2 . 1 1 34 34 GLU CA C 34 59.400 59.400 55.991 3.409 18995 386 1 2 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.708 -1.308 18995 387 1 2 . 1 1 34 34 GLU H H 34 7.326 7.326 8.132 -0.806 18995 388 1 2 . 1 1 35 35 LEU N N 35 123.632 123.632 127.580 -3.948 18995 389 1 2 . 1 1 35 35 LEU C C 35 178.845 178.845 176.477 2.368 18995 390 1 2 . 1 1 35 35 LEU CA C 35 59.800 59.800 52.510 7.290 18995 391 1 2 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.322 -1.321 18995 392 1 2 . 1 1 35 35 LEU H H 35 7.978 7.978 9.051 -1.073 18995 393 1 2 . 1 1 36 36 ILE C C 36 178.328 178.328 175.808 2.520 18995 394 1 2 . 1 1 36 36 ILE CA C 36 66.300 66.300 62.974 3.326 18995 395 1 2 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.296 0.404 18995 396 1 2 . 1 1 37 37 ASN N N 37 118.242 118.242 112.346 5.896 18995 397 1 2 . 1 1 37 37 ASN C C 37 177.052 177.052 176.655 0.397 18995 398 1 2 . 1 1 37 37 ASN CA C 37 54.800 54.800 52.930 1.870 18995 399 1 2 . 1 1 37 37 ASN CB C 37 37.500 37.500 38.088 -0.588 18995 400 1 2 . 1 1 37 37 ASN H H 37 8.336 8.336 8.381 -0.045 18995 401 1 2 . 1 1 38 38 ASN N N 38 114.845 114.845 119.347 -4.502 18995 402 1 2 . 1 1 38 38 ASN C C 38 176.578 176.578 174.630 1.948 18995 403 1 2 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.834 2.366 18995 404 1 2 . 1 1 38 38 ASN H H 38 8.213 8.213 8.178 0.035 18995 405 1 2 . 1 1 39 39 GLU N N 39 113.797 113.797 121.032 -7.235 18995 406 1 2 . 1 1 39 39 GLU C C 39 177.689 177.689 174.431 3.258 18995 407 1 2 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.891 -1.691 18995 408 1 2 . 1 1 39 39 GLU CB C 39 31.300 31.300 30.823 0.477 18995 409 1 2 . 1 1 39 39 GLU H H 39 8.522 8.522 7.851 0.671 18995 410 1 2 . 1 1 40 40 LEU N N 40 119.982 119.982 123.374 -3.392 18995 411 1 2 . 1 1 40 40 LEU C C 40 177.212 177.212 175.423 1.789 18995 412 1 2 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.527 0.573 18995 413 1 2 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.148 -1.448 18995 414 1 2 . 1 1 40 40 LEU H H 40 7.552 7.552 8.458 -0.906 18995 415 1 2 . 1 1 41 41 SER N N 41 114.635 114.635 120.413 -5.778 18995 416 1 2 . 1 1 41 41 SER C C 41 175.688 175.688 172.392 3.296 18995 417 1 2 . 1 1 41 41 SER CA C 41 60.800 60.800 56.491 4.309 18995 418 1 2 . 1 1 41 41 SER CB C 41 64.100 64.100 65.780 -1.680 18995 419 1 2 . 1 1 41 41 SER H H 41 7.592 7.592 8.943 -1.351 18995 420 1 2 . 1 1 42 42 HIS N N 42 122.397 122.397 115.418 6.979 18995 421 1 2 . 1 1 42 42 HIS C C 42 175.523 175.523 172.855 2.668 18995 422 1 2 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.064 3.636 18995 423 1 2 . 1 1 42 42 HIS H H 42 10.406 10.406 8.237 2.169 18995 424 1 2 . 1 1 43 43 PHE N N 43 117.618 117.618 120.639 -3.021 18995 425 1 2 . 1 1 43 43 PHE C C 43 177.431 177.431 175.128 2.303 18995 426 1 2 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.988 2.812 18995 427 1 2 . 1 1 43 43 PHE H H 43 7.785 7.785 8.395 -0.610 18995 428 1 2 . 1 1 44 44 LEU N N 44 120.185 120.185 124.747 -4.562 18995 429 1 2 . 1 1 44 44 LEU C C 44 175.829 175.829 176.433 -0.604 18995 430 1 2 . 1 1 44 44 LEU CA C 44 53.800 53.800 55.535 -1.735 18995 431 1 2 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.588 2.412 18995 432 1 2 . 1 1 44 44 LEU H H 44 8.533 8.533 8.627 -0.094 18995 433 1 2 . 1 1 45 45 GLU N N 45 121.499 121.499 118.901 2.598 18995 434 1 2 . 1 1 45 45 GLU C C 45 175.060 175.060 177.465 -2.405 18995 435 1 2 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.728 -0.129 18995 436 1 2 . 1 1 45 45 GLU CB C 45 30.600 30.600 28.735 1.865 18995 437 1 2 . 1 1 45 45 GLU H H 45 8.130 8.130 8.164 -0.034 18995 438 1 2 . 1 1 46 46 GLU N N 46 122.480 122.480 125.474 -2.994 18995 439 1 2 . 1 1 46 46 GLU C C 46 176.861 176.861 176.166 0.695 18995 440 1 2 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.799 -0.999 18995 441 1 2 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.262 1.438 18995 442 1 2 . 1 1 46 46 GLU H H 46 8.123 8.123 8.749 -0.626 18995 443 1 2 . 1 1 47 47 ILE N N 47 127.680 127.680 119.086 8.594 18995 444 1 2 . 1 1 47 47 ILE C C 47 175.931 175.931 175.718 0.213 18995 445 1 2 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.090 1.010 18995 446 1 2 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.956 0.644 18995 447 1 2 . 1 1 47 47 ILE H H 47 9.897 9.897 7.755 2.142 18995 448 1 2 . 1 1 48 48 LYS N N 48 126.846 126.846 124.158 2.688 18995 449 1 2 . 1 1 48 48 LYS C C 48 175.896 175.896 176.063 -0.167 18995 450 1 2 . 1 1 48 48 LYS CA C 48 56.600 56.600 54.090 2.510 18995 451 1 2 . 1 1 48 48 LYS CB C 48 34.700 34.700 33.834 0.866 18995 452 1 2 . 1 1 48 48 LYS H H 48 9.077 9.077 7.455 1.622 18995 453 1 2 . 1 1 49 49 GLU C C 49 179.470 179.470 176.775 2.695 18995 454 1 2 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.346 -1.746 18995 455 1 2 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.606 2.194 18995 456 1 2 . 1 1 50 50 GLN N N 50 125.850 125.850 119.866 5.984 18995 457 1 2 . 1 1 50 50 GLN C C 50 176.883 176.883 177.119 -0.236 18995 458 1 2 . 1 1 50 50 GLN CA C 50 58.500 58.500 57.434 1.066 18995 459 1 2 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.385 0.015 18995 460 1 2 . 1 1 50 50 GLN H H 50 9.041 9.041 8.860 0.181 18995 461 1 2 . 1 1 51 51 GLU N N 51 117.404 117.404 112.489 4.915 18995 462 1 2 . 1 1 51 51 GLU C C 51 178.262 178.262 175.325 2.937 18995 463 1 2 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.727 3.973 18995 464 1 2 . 1 1 51 51 GLU CB C 51 29.300 29.300 29.866 -0.566 18995 465 1 2 . 1 1 51 51 GLU H H 51 9.352 9.352 7.441 1.911 18995 466 1 2 . 1 1 52 52 VAL N N 52 118.888 118.888 122.141 -3.253 18995 467 1 2 . 1 1 52 52 VAL C C 52 177.677 177.677 174.575 3.102 18995 468 1 2 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.748 4.353 18995 469 1 2 . 1 1 52 52 VAL CB C 52 31.700 31.700 31.202 0.498 18995 470 1 2 . 1 1 52 52 VAL H H 52 7.247 7.247 7.205 0.042 18995 471 1 2 . 1 1 53 53 VAL N N 53 119.906 119.906 123.472 -3.566 18995 472 1 2 . 1 1 53 53 VAL C C 53 176.742 176.742 174.663 2.079 18995 473 1 2 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.615 5.585 18995 474 1 2 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.755 -3.155 18995 475 1 2 . 1 1 53 53 VAL H H 53 7.264 7.264 8.508 -1.244 18995 476 1 2 . 1 1 54 54 ASP N N 54 121.483 121.483 120.959 0.524 18995 477 1 2 . 1 1 54 54 ASP C C 54 178.291 178.291 174.642 3.649 18995 478 1 2 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.380 5.820 18995 479 1 2 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.314 -4.314 18995 480 1 2 . 1 1 54 54 ASP H H 54 8.524 8.524 9.094 -0.570 18995 481 1 2 . 1 1 55 55 LYS N N 55 120.875 120.875 128.083 -7.208 18995 482 1 2 . 1 1 55 55 LYS C C 55 179.054 179.054 175.964 3.090 18995 483 1 2 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.479 3.421 18995 484 1 2 . 1 1 55 55 LYS CB C 55 32.200 32.200 31.835 0.365 18995 485 1 2 . 1 1 55 55 LYS H H 55 7.580 7.580 9.091 -1.511 18995 486 1 2 . 1 1 56 56 VAL N N 56 121.960 121.960 123.370 -1.410 18995 487 1 2 . 1 1 56 56 VAL C C 56 178.221 178.221 175.183 3.038 18995 488 1 2 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.376 5.624 18995 489 1 2 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.165 -1.465 18995 490 1 2 . 1 1 56 56 VAL H H 56 8.279 8.279 8.491 -0.212 18995 491 1 2 . 1 1 57 57 MET N N 57 118.815 118.815 126.828 -8.013 18995 492 1 2 . 1 1 57 57 MET C C 57 176.888 176.888 175.538 1.350 18995 493 1 2 . 1 1 57 57 MET CA C 57 57.900 57.900 54.609 3.291 18995 494 1 2 . 1 1 57 57 MET CB C 57 32.900 32.900 32.939 -0.039 18995 495 1 2 . 1 1 57 57 MET H H 57 8.467 8.467 8.992 -0.525 18995 496 1 2 . 1 1 58 58 GLU N N 58 117.894 117.894 125.990 -8.096 18995 497 1 2 . 1 1 58 58 GLU C C 58 178.510 178.510 176.589 1.921 18995 498 1 2 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.484 1.916 18995 499 1 2 . 1 1 58 58 GLU CB C 58 29.800 29.800 30.741 -0.941 18995 500 1 2 . 1 1 58 58 GLU H H 58 8.073 8.073 8.789 -0.716 18995 501 1 2 . 1 1 59 59 THR N N 59 113.244 113.244 112.511 0.733 18995 502 1 2 . 1 1 59 59 THR C C 59 174.778 174.778 172.620 2.158 18995 503 1 2 . 1 1 59 59 THR CA C 59 65.600 65.600 60.047 5.553 18995 504 1 2 . 1 1 59 59 THR CB C 59 69.600 69.600 71.433 -1.833 18995 505 1 2 . 1 1 59 59 THR H H 59 7.739 7.739 7.523 0.216 18995 506 1 2 . 1 1 60 60 LEU N N 60 119.636 119.636 123.792 -4.156 18995 507 1 2 . 1 1 60 60 LEU C C 60 177.561 177.561 177.432 0.129 18995 508 1 2 . 1 1 60 60 LEU CA C 60 55.600 55.600 57.107 -1.507 18995 509 1 2 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.350 1.950 18995 510 1 2 . 1 1 60 60 LEU H H 60 7.643 7.643 8.768 -1.125 18995 511 1 2 . 1 1 61 61 ASP N N 61 117.424 117.424 125.155 -7.731 18995 512 1 2 . 1 1 61 61 ASP C C 61 175.915 175.915 174.819 1.096 18995 513 1 2 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.889 0.711 18995 514 1 2 . 1 1 61 61 ASP H H 61 7.984 7.984 8.741 -0.757 18995 515 1 2 . 1 1 62 62 ASN N N 62 127.650 127.650 121.413 6.237 18995 516 1 2 . 1 1 62 62 ASN C C 62 175.905 175.905 174.309 1.596 18995 517 1 2 . 1 1 62 62 ASN CA C 62 54.900 54.900 52.973 1.927 18995 518 1 2 . 1 1 62 62 ASN CB C 62 40.400 40.400 40.152 0.248 18995 519 1 2 . 1 1 62 62 ASN H H 62 9.032 9.032 8.324 0.708 18995 520 1 2 . 1 1 63 63 ASP N N 63 116.676 116.676 123.254 -6.578 18995 521 1 2 . 1 1 63 63 ASP C C 63 177.604 177.604 174.883 2.721 18995 522 1 2 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.782 2.618 18995 523 1 2 . 1 1 63 63 ASP CB C 63 40.200 40.200 45.014 -4.814 18995 524 1 2 . 1 1 63 63 ASP H H 63 8.302 8.302 9.701 -1.399 18995 525 1 2 . 1 1 64 64 GLY N N 64 109.334 109.334 110.911 -1.577 18995 526 1 2 . 1 1 64 64 GLY C C 64 174.834 174.834 174.768 0.066 18995 527 1 2 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.409 4.291 18995 528 1 2 . 1 1 64 64 GLY H H 64 7.681 7.681 9.182 -1.501 18995 529 1 2 . 1 1 65 65 ASP N N 65 120.960 120.960 127.214 -6.254 18995 530 1 2 . 1 1 65 65 ASP C C 65 177.010 177.010 174.787 2.223 18995 531 1 2 . 1 1 65 65 ASP CA C 65 53.800 53.800 54.061 -0.261 18995 532 1 2 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.915 -0.615 18995 533 1 2 . 1 1 65 65 ASP H H 65 8.386 8.386 9.062 -0.676 18995 534 1 2 . 1 1 66 66 GLY N N 66 113.875 113.875 117.203 -3.328 18995 535 1 2 . 1 1 66 66 GLY C C 66 172.343 172.343 174.012 -1.669 18995 536 1 2 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.758 3.142 18995 537 1 2 . 1 1 66 66 GLY H H 66 10.212 10.212 8.789 1.423 18995 538 1 2 . 1 1 67 67 GLU N N 67 118.701 118.701 125.179 -6.478 18995 539 1 2 . 1 1 67 67 GLU C C 67 174.711 174.711 176.308 -1.597 18995 540 1 2 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.914 -0.714 18995 541 1 2 . 1 1 67 67 GLU H H 67 7.949 7.949 8.964 -1.015 18995 542 1 2 . 1 1 68 68 CYS N N 68 124.753 124.753 126.066 -1.313 18995 543 1 2 . 1 1 68 68 CYS C C 68 174.411 174.411 175.826 -1.415 18995 544 1 2 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.201 -5.201 18995 545 1 2 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.841 0.259 18995 546 1 2 . 1 1 68 68 CYS H H 68 9.486 9.486 8.705 0.781 18995 547 1 2 . 1 1 69 69 ASP N N 69 132.376 132.376 116.786 15.590 18995 548 1 2 . 1 1 69 69 ASP C C 69 175.307 175.307 176.448 -1.141 18995 549 1 2 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.945 -1.645 18995 550 1 2 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.280 -0.680 18995 551 1 2 . 1 1 69 69 ASP H H 69 9.911 9.911 8.335 1.576 18995 552 1 2 . 1 1 70 70 PHE N N 70 119.131 119.131 120.236 -1.105 18995 553 1 2 . 1 1 70 70 PHE C C 70 176.482 176.482 175.546 0.936 18995 554 1 2 . 1 1 70 70 PHE CA C 70 62.900 62.900 58.049 4.851 18995 555 1 2 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.476 -1.376 18995 556 1 2 . 1 1 70 70 PHE H H 70 9.075 9.075 7.219 1.856 18995 557 1 2 . 1 1 71 71 GLN N N 71 119.323 119.323 117.200 2.123 18995 558 1 2 . 1 1 71 71 GLN C C 71 179.517 179.517 174.123 5.394 18995 559 1 2 . 1 1 71 71 GLN CA C 71 60.100 60.100 57.102 2.998 18995 560 1 2 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.705 0.495 18995 561 1 2 . 1 1 71 71 GLN H H 71 8.047 8.047 8.406 -0.359 18995 562 1 2 . 1 1 72 72 GLU N N 72 123.228 123.228 115.656 7.572 18995 563 1 2 . 1 1 72 72 GLU C C 72 179.337 179.337 175.123 4.214 18995 564 1 2 . 1 1 72 72 GLU CA C 72 58.900 58.900 55.023 3.877 18995 565 1 2 . 1 1 72 72 GLU CB C 72 30.300 30.300 33.095 -2.795 18995 566 1 2 . 1 1 72 72 GLU H H 72 9.061 9.061 7.295 1.766 18995 567 1 2 . 1 1 73 73 PHE N N 73 123.155 123.155 118.698 4.457 18995 568 1 2 . 1 1 73 73 PHE C C 73 176.497 176.497 175.458 1.039 18995 569 1 2 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.587 3.213 18995 570 1 2 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.872 -1.172 18995 571 1 2 . 1 1 73 73 PHE H H 73 8.863 8.863 9.399 -0.536 18995 572 1 2 . 1 1 74 74 MET N N 74 119.622 119.622 122.529 -2.907 18995 573 1 2 . 1 1 74 74 MET C C 74 178.476 178.476 174.689 3.787 18995 574 1 2 . 1 1 74 74 MET CA C 74 56.200 56.200 55.562 0.638 18995 575 1 2 . 1 1 74 74 MET CB C 74 30.400 30.400 33.541 -3.141 18995 576 1 2 . 1 1 74 74 MET H H 74 8.217 8.217 9.046 -0.829 18995 577 1 2 . 1 1 75 75 ALA N N 75 123.073 123.073 129.036 -5.963 18995 578 1 2 . 1 1 75 75 ALA C C 75 180.129 180.129 175.227 4.902 18995 579 1 2 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.263 4.937 18995 580 1 2 . 1 1 75 75 ALA H H 75 7.490 7.490 9.380 -1.890 18995 581 1 2 . 1 1 76 76 PHE N N 76 122.171 122.171 123.020 -0.849 18995 582 1 2 . 1 1 76 76 PHE C C 76 176.365 176.365 175.039 1.326 18995 583 1 2 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.540 2.260 18995 584 1 2 . 1 1 76 76 PHE CB C 76 38.600 38.600 42.562 -3.962 18995 585 1 2 . 1 1 76 76 PHE H H 76 7.676 7.676 8.254 -0.578 18995 586 1 2 . 1 1 77 77 VAL N N 77 119.765 119.765 124.020 -4.255 18995 587 1 2 . 1 1 77 77 VAL C C 77 179.175 179.175 177.544 1.631 18995 588 1 2 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.308 6.492 18995 589 1 2 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.358 -1.158 18995 590 1 2 . 1 1 77 77 VAL H H 77 8.498 8.498 8.688 -0.190 18995 591 1 2 . 1 1 78 78 ALA N N 78 123.880 123.880 123.211 0.669 18995 592 1 2 . 1 1 78 78 ALA C C 78 178.630 178.630 177.680 0.950 18995 593 1 2 . 1 1 78 78 ALA CA C 78 56.100 56.100 55.284 0.816 18995 594 1 2 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.673 -0.373 18995 595 1 2 . 1 1 78 78 ALA H H 78 8.193 8.193 8.843 -0.650 18995 596 1 2 . 1 1 79 79 MET N N 79 120.537 120.537 114.541 5.996 18995 597 1 2 . 1 1 79 79 MET C C 79 178.430 178.430 176.795 1.635 18995 598 1 2 . 1 1 79 79 MET CA C 79 59.500 59.500 54.903 4.597 18995 599 1 2 . 1 1 79 79 MET CB C 79 32.800 32.800 32.465 0.335 18995 600 1 2 . 1 1 79 79 MET H H 79 7.883 7.883 7.867 0.016 18995 601 1 2 . 1 1 80 80 VAL N N 80 120.374 120.374 119.549 0.825 18995 602 1 2 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.565 4.635 18995 603 1 2 . 1 1 80 80 VAL H H 80 8.299 8.299 7.967 0.332 18995 604 1 2 . 1 1 82 82 THR C C 82 175.144 175.144 172.745 2.399 18995 605 1 2 . 1 1 82 82 THR CA C 82 65.800 65.800 61.309 4.490 18995 606 1 2 . 1 1 83 83 ALA N N 83 123.244 123.244 122.815 0.429 18995 607 1 2 . 1 1 83 83 ALA C C 83 178.574 178.574 175.208 3.366 18995 608 1 2 . 1 1 83 83 ALA CA C 83 53.900 53.900 50.057 3.842 18995 609 1 2 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.750 -2.750 18995 610 1 2 . 1 1 83 83 ALA H H 83 7.587 7.587 8.741 -1.154 18995 611 1 2 . 1 1 84 84 CYS N N 84 116.910 116.910 117.636 -0.726 18995 612 1 2 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.108 2.692 18995 613 1 2 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.065 -1.165 18995 614 1 2 . 1 1 84 84 CYS H H 84 7.788 7.788 8.451 -0.663 18995 615 1 2 . 1 1 86 86 GLU CA C 86 58.600 58.600 57.861 0.739 18995 616 1 2 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.166 -0.766 18995 617 1 2 . 1 1 87 87 PHE N N 87 118.550 118.550 119.757 -1.207 18995 618 1 2 . 1 1 87 87 PHE C C 87 175.597 175.597 174.779 0.818 18995 619 1 2 . 1 1 87 87 PHE CA C 87 59.100 59.100 57.281 1.819 18995 620 1 2 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.135 -0.735 18995 621 1 2 . 1 1 87 87 PHE H H 87 7.838 7.838 7.629 0.209 18995 622 1 2 . 1 1 88 88 PHE N N 88 118.438 118.438 126.111 -7.673 18995 623 1 2 . 1 1 88 88 PHE C C 88 175.241 175.241 175.977 -0.736 18995 624 1 2 . 1 1 88 88 PHE CA C 88 58.200 58.200 57.990 0.210 18995 625 1 2 . 1 1 88 88 PHE CB C 88 39.700 39.700 37.254 2.446 18995 626 1 2 . 1 1 88 88 PHE H H 88 7.718 7.718 8.532 -0.814 18995 627 1 2 . 1 1 89 89 GLU N N 89 121.366 121.366 126.320 -4.954 18995 628 1 2 . 1 1 89 89 GLU C C 89 175.437 175.437 177.110 -1.673 18995 629 1 2 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.191 2.409 18995 630 1 2 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.571 -1.271 18995 631 1 2 . 1 1 89 89 GLU H H 89 7.959 7.959 7.951 0.008 18995 632 1 2 . 1 1 90 90 HIS N N 90 120.349 120.349 116.655 3.694 18995 633 1 2 . 1 1 90 90 HIS C C 90 173.652 173.652 176.024 -2.372 18995 634 1 2 . 1 1 90 90 HIS CA C 90 55.800 55.800 58.459 -2.659 18995 635 1 2 . 1 1 90 90 HIS CB C 90 30.100 30.100 29.071 1.029 18995 636 1 2 . 1 1 90 90 HIS H H 90 8.116 8.116 8.733 -0.617 18995 637 1 2 . 1 1 91 91 GLU N N 91 127.965 127.965 118.639 9.326 18995 638 1 2 . 1 1 91 91 GLU H H 91 8.235 8.235 7.739 0.496 18995 639 1 3 . 1 1 20 20 ARG C C 20 177.097 177.097 175.078 2.019 18995 640 1 3 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.838 4.262 18995 641 1 3 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.788 0.212 18995 642 1 3 . 1 1 21 21 GLU N N 21 116.519 116.519 121.161 -4.642 18995 643 1 3 . 1 1 21 21 GLU C C 21 175.055 175.055 175.574 -0.519 18995 644 1 3 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.596 1.004 18995 645 1 3 . 1 1 21 21 GLU CB C 21 35.700 35.700 34.220 1.480 18995 646 1 3 . 1 1 21 21 GLU H H 21 9.468 9.468 9.105 0.363 18995 647 1 3 . 1 1 22 22 GLY N N 22 122.197 122.197 110.545 11.652 18995 648 1 3 . 1 1 22 22 GLY C C 22 180.081 180.081 173.763 6.318 18995 649 1 3 . 1 1 22 22 GLY H H 22 10.096 10.096 9.243 0.853 18995 650 1 3 . 1 1 23 23 ASP N N 23 113.764 113.764 126.207 -12.443 18995 651 1 3 . 1 1 23 23 ASP C C 23 178.957 178.957 175.380 3.577 18995 652 1 3 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.495 2.006 18995 653 1 3 . 1 1 23 23 ASP H H 23 8.115 8.115 9.309 -1.194 18995 654 1 3 . 1 1 24 24 LYS N N 24 131.954 131.954 128.039 3.915 18995 655 1 3 . 1 1 24 24 LYS C C 24 176.539 176.539 175.329 1.210 18995 656 1 3 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.126 3.074 18995 657 1 3 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.633 -1.933 18995 658 1 3 . 1 1 24 24 LYS H H 24 9.484 9.484 9.163 0.321 18995 659 1 3 . 1 1 25 25 HIS N N 25 119.313 119.313 128.186 -8.873 18995 660 1 3 . 1 1 25 25 HIS C C 25 172.815 172.815 174.177 -1.362 18995 661 1 3 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.087 1.413 18995 662 1 3 . 1 1 25 25 HIS CB C 25 30.800 30.800 32.064 -1.264 18995 663 1 3 . 1 1 25 25 HIS H H 25 9.589 9.589 9.001 0.588 18995 664 1 3 . 1 1 26 26 LYS N N 26 115.394 115.394 127.893 -12.499 18995 665 1 3 . 1 1 26 26 LYS C C 26 174.608 174.608 174.252 0.356 18995 666 1 3 . 1 1 26 26 LYS CA C 26 55.400 55.400 55.661 -0.261 18995 667 1 3 . 1 1 26 26 LYS CB C 26 39.100 39.100 30.712 8.388 18995 668 1 3 . 1 1 26 26 LYS H H 26 7.095 7.095 8.085 -0.990 18995 669 1 3 . 1 1 27 27 LEU N N 27 126.263 126.263 121.174 5.089 18995 670 1 3 . 1 1 27 27 LEU C C 27 175.637 175.637 175.836 -0.199 18995 671 1 3 . 1 1 27 27 LEU CA C 27 52.800 52.800 54.438 -1.638 18995 672 1 3 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.129 1.571 18995 673 1 3 . 1 1 27 27 LEU H H 27 9.595 9.595 7.263 2.332 18995 674 1 3 . 1 1 28 28 LYS N N 28 124.436 124.436 121.304 3.132 18995 675 1 3 . 1 1 28 28 LYS C C 28 177.395 177.395 176.104 1.291 18995 676 1 3 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.295 -1.095 18995 677 1 3 . 1 1 28 28 LYS H H 28 9.711 9.711 8.418 1.293 18995 678 1 3 . 1 1 29 29 LYS N N 29 121.980 121.980 118.954 3.026 18995 679 1 3 . 1 1 29 29 LYS C C 29 177.400 177.400 174.624 2.776 18995 680 1 3 . 1 1 29 29 LYS CA C 29 62.700 62.700 56.013 6.687 18995 681 1 3 . 1 1 29 29 LYS H H 29 9.084 9.084 7.571 1.513 18995 682 1 3 . 1 1 30 30 SER N N 30 111.519 111.519 114.296 -2.777 18995 683 1 3 . 1 1 30 30 SER C C 30 176.950 176.950 172.611 4.339 18995 684 1 3 . 1 1 30 30 SER CA C 30 61.100 61.100 56.574 4.526 18995 685 1 3 . 1 1 30 30 SER CB C 30 61.300 61.300 67.299 -5.999 18995 686 1 3 . 1 1 30 30 SER H H 30 8.267 8.267 7.178 1.089 18995 687 1 3 . 1 1 31 31 GLU N N 31 123.792 123.792 119.991 3.801 18995 688 1 3 . 1 1 31 31 GLU C C 31 179.463 179.463 176.693 2.770 18995 689 1 3 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.242 4.858 18995 690 1 3 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.709 -2.510 18995 691 1 3 . 1 1 31 31 GLU H H 31 6.603 6.603 9.602 -2.999 18995 692 1 3 . 1 1 32 32 LEU N N 32 121.954 121.954 125.174 -3.220 18995 693 1 3 . 1 1 32 32 LEU C C 32 176.995 176.995 175.546 1.449 18995 694 1 3 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.461 2.439 18995 695 1 3 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.377 -0.077 18995 696 1 3 . 1 1 32 32 LEU H H 32 8.936 8.936 9.001 -0.065 18995 697 1 3 . 1 1 33 33 LYS N N 33 118.576 118.576 128.468 -9.892 18995 698 1 3 . 1 1 33 33 LYS C C 33 176.714 176.714 174.976 1.738 18995 699 1 3 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.735 5.765 18995 700 1 3 . 1 1 33 33 LYS CB C 33 32.900 32.900 35.273 -2.373 18995 701 1 3 . 1 1 33 33 LYS H H 33 8.390 8.390 9.330 -0.940 18995 702 1 3 . 1 1 34 34 GLU N N 34 116.152 116.152 128.192 -12.040 18995 703 1 3 . 1 1 34 34 GLU C C 34 177.689 177.689 175.777 1.912 18995 704 1 3 . 1 1 34 34 GLU CA C 34 59.400 59.400 55.797 3.603 18995 705 1 3 . 1 1 34 34 GLU CB C 34 29.400 29.400 31.320 -1.920 18995 706 1 3 . 1 1 34 34 GLU H H 34 7.326 7.326 8.312 -0.986 18995 707 1 3 . 1 1 35 35 LEU N N 35 123.632 123.632 128.439 -4.807 18995 708 1 3 . 1 1 35 35 LEU C C 35 178.845 178.845 176.334 2.511 18995 709 1 3 . 1 1 35 35 LEU CA C 35 59.800 59.800 52.360 7.440 18995 710 1 3 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.025 -1.024 18995 711 1 3 . 1 1 35 35 LEU H H 35 7.978 7.978 9.152 -1.174 18995 712 1 3 . 1 1 36 36 ILE C C 36 178.328 178.328 175.691 2.637 18995 713 1 3 . 1 1 36 36 ILE CA C 36 66.300 66.300 63.390 2.910 18995 714 1 3 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.080 0.620 18995 715 1 3 . 1 1 37 37 ASN N N 37 118.242 118.242 112.159 6.083 18995 716 1 3 . 1 1 37 37 ASN C C 37 177.052 177.052 176.499 0.553 18995 717 1 3 . 1 1 37 37 ASN CA C 37 54.800 54.800 52.486 2.314 18995 718 1 3 . 1 1 37 37 ASN CB C 37 37.500 37.500 37.500 0.000 18995 719 1 3 . 1 1 37 37 ASN H H 37 8.336 8.336 8.337 -0.001 18995 720 1 3 . 1 1 38 38 ASN N N 38 114.845 114.845 118.551 -3.706 18995 721 1 3 . 1 1 38 38 ASN C C 38 176.578 176.578 174.762 1.816 18995 722 1 3 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.748 2.452 18995 723 1 3 . 1 1 38 38 ASN H H 38 8.213 8.213 7.985 0.228 18995 724 1 3 . 1 1 39 39 GLU N N 39 113.797 113.797 120.691 -6.894 18995 725 1 3 . 1 1 39 39 GLU C C 39 177.689 177.689 174.321 3.368 18995 726 1 3 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.452 -1.252 18995 727 1 3 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.183 0.117 18995 728 1 3 . 1 1 39 39 GLU H H 39 8.522 8.522 8.546 -0.024 18995 729 1 3 . 1 1 40 40 LEU N N 40 119.982 119.982 123.170 -3.188 18995 730 1 3 . 1 1 40 40 LEU C C 40 177.212 177.212 175.583 1.629 18995 731 1 3 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.314 0.786 18995 732 1 3 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.153 -1.453 18995 733 1 3 . 1 1 40 40 LEU H H 40 7.552 7.552 8.474 -0.922 18995 734 1 3 . 1 1 41 41 SER N N 41 114.635 114.635 120.002 -5.367 18995 735 1 3 . 1 1 41 41 SER C C 41 175.688 175.688 172.616 3.072 18995 736 1 3 . 1 1 41 41 SER CA C 41 60.800 60.800 57.134 3.666 18995 737 1 3 . 1 1 41 41 SER CB C 41 64.100 64.100 66.966 -2.866 18995 738 1 3 . 1 1 41 41 SER H H 41 7.592 7.592 9.049 -1.457 18995 739 1 3 . 1 1 42 42 HIS N N 42 122.397 122.397 115.682 6.715 18995 740 1 3 . 1 1 42 42 HIS C C 42 175.523 175.523 172.613 2.910 18995 741 1 3 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.216 3.484 18995 742 1 3 . 1 1 42 42 HIS H H 42 10.406 10.406 8.553 1.853 18995 743 1 3 . 1 1 43 43 PHE N N 43 117.618 117.618 121.710 -4.092 18995 744 1 3 . 1 1 43 43 PHE C C 43 177.431 177.431 176.002 1.429 18995 745 1 3 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.466 3.334 18995 746 1 3 . 1 1 43 43 PHE H H 43 7.785 7.785 8.833 -1.048 18995 747 1 3 . 1 1 44 44 LEU N N 44 120.185 120.185 127.146 -6.961 18995 748 1 3 . 1 1 44 44 LEU C C 44 175.829 175.829 176.405 -0.576 18995 749 1 3 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.857 -3.057 18995 750 1 3 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.336 2.664 18995 751 1 3 . 1 1 44 44 LEU H H 44 8.533 8.533 8.754 -0.221 18995 752 1 3 . 1 1 45 45 GLU N N 45 121.499 121.499 119.541 1.958 18995 753 1 3 . 1 1 45 45 GLU C C 45 175.060 175.060 177.202 -2.142 18995 754 1 3 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.306 0.294 18995 755 1 3 . 1 1 45 45 GLU CB C 45 30.600 30.600 29.484 1.116 18995 756 1 3 . 1 1 45 45 GLU H H 45 8.130 8.130 8.330 -0.200 18995 757 1 3 . 1 1 46 46 GLU N N 46 122.480 122.480 124.955 -2.475 18995 758 1 3 . 1 1 46 46 GLU C C 46 176.861 176.861 176.004 0.857 18995 759 1 3 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.181 -0.381 18995 760 1 3 . 1 1 46 46 GLU CB C 46 30.700 30.700 28.814 1.887 18995 761 1 3 . 1 1 46 46 GLU H H 46 8.123 8.123 8.658 -0.535 18995 762 1 3 . 1 1 47 47 ILE N N 47 127.680 127.680 119.123 8.557 18995 763 1 3 . 1 1 47 47 ILE C C 47 175.931 175.931 176.007 -0.076 18995 764 1 3 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.451 0.649 18995 765 1 3 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.756 0.844 18995 766 1 3 . 1 1 47 47 ILE H H 47 9.897 9.897 7.776 2.121 18995 767 1 3 . 1 1 48 48 LYS N N 48 126.846 126.846 123.693 3.153 18995 768 1 3 . 1 1 48 48 LYS C C 48 175.896 175.896 175.872 0.024 18995 769 1 3 . 1 1 48 48 LYS CA C 48 56.600 56.600 53.868 2.732 18995 770 1 3 . 1 1 48 48 LYS CB C 48 34.700 34.700 33.993 0.707 18995 771 1 3 . 1 1 48 48 LYS H H 48 9.077 9.077 7.426 1.651 18995 772 1 3 . 1 1 49 49 GLU C C 49 179.470 179.470 176.600 2.870 18995 773 1 3 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.212 -1.613 18995 774 1 3 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.668 2.132 18995 775 1 3 . 1 1 50 50 GLN N N 50 125.850 125.850 119.476 6.374 18995 776 1 3 . 1 1 50 50 GLN C C 50 176.883 176.883 176.460 0.423 18995 777 1 3 . 1 1 50 50 GLN CA C 50 58.500 58.500 57.934 0.565 18995 778 1 3 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.258 0.142 18995 779 1 3 . 1 1 50 50 GLN H H 50 9.041 9.041 8.925 0.116 18995 780 1 3 . 1 1 51 51 GLU N N 51 117.404 117.404 112.482 4.922 18995 781 1 3 . 1 1 51 51 GLU C C 51 178.262 178.262 175.286 2.976 18995 782 1 3 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.581 4.119 18995 783 1 3 . 1 1 51 51 GLU CB C 51 29.300 29.300 30.187 -0.887 18995 784 1 3 . 1 1 51 51 GLU H H 51 9.352 9.352 7.431 1.921 18995 785 1 3 . 1 1 52 52 VAL N N 52 118.888 118.888 122.103 -3.215 18995 786 1 3 . 1 1 52 52 VAL C C 52 177.677 177.677 174.795 2.882 18995 787 1 3 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.889 4.211 18995 788 1 3 . 1 1 52 52 VAL CB C 52 31.700 31.700 30.733 0.967 18995 789 1 3 . 1 1 52 52 VAL H H 52 7.247 7.247 7.241 0.006 18995 790 1 3 . 1 1 53 53 VAL N N 53 119.906 119.906 123.346 -3.440 18995 791 1 3 . 1 1 53 53 VAL C C 53 176.742 176.742 174.936 1.806 18995 792 1 3 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.545 5.655 18995 793 1 3 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.951 -3.351 18995 794 1 3 . 1 1 53 53 VAL H H 53 7.264 7.264 8.787 -1.523 18995 795 1 3 . 1 1 54 54 ASP N N 54 121.483 121.483 119.901 1.582 18995 796 1 3 . 1 1 54 54 ASP C C 54 178.291 178.291 174.373 3.918 18995 797 1 3 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.288 5.912 18995 798 1 3 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.631 -4.631 18995 799 1 3 . 1 1 54 54 ASP H H 54 8.524 8.524 9.010 -0.486 18995 800 1 3 . 1 1 55 55 LYS N N 55 120.875 120.875 127.582 -6.707 18995 801 1 3 . 1 1 55 55 LYS C C 55 179.054 179.054 176.215 2.839 18995 802 1 3 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.249 3.651 18995 803 1 3 . 1 1 55 55 LYS CB C 55 32.200 32.200 32.256 -0.056 18995 804 1 3 . 1 1 55 55 LYS H H 55 7.580 7.580 8.833 -1.253 18995 805 1 3 . 1 1 56 56 VAL N N 56 121.960 121.960 123.388 -1.428 18995 806 1 3 . 1 1 56 56 VAL C C 56 178.221 178.221 175.065 3.156 18995 807 1 3 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.232 5.768 18995 808 1 3 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.305 -1.605 18995 809 1 3 . 1 1 56 56 VAL H H 56 8.279 8.279 8.311 -0.032 18995 810 1 3 . 1 1 57 57 MET N N 57 118.815 118.815 126.177 -7.362 18995 811 1 3 . 1 1 57 57 MET C C 57 176.888 176.888 175.526 1.362 18995 812 1 3 . 1 1 57 57 MET CA C 57 57.900 57.900 54.462 3.438 18995 813 1 3 . 1 1 57 57 MET CB C 57 32.900 32.900 32.911 -0.011 18995 814 1 3 . 1 1 57 57 MET H H 57 8.467 8.467 8.918 -0.451 18995 815 1 3 . 1 1 58 58 GLU N N 58 117.894 117.894 125.695 -7.801 18995 816 1 3 . 1 1 58 58 GLU C C 58 178.510 178.510 176.429 2.081 18995 817 1 3 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.338 2.062 18995 818 1 3 . 1 1 58 58 GLU CB C 58 29.800 29.800 30.712 -0.912 18995 819 1 3 . 1 1 58 58 GLU H H 58 8.073 8.073 8.738 -0.665 18995 820 1 3 . 1 1 59 59 THR N N 59 113.244 113.244 112.508 0.736 18995 821 1 3 . 1 1 59 59 THR C C 59 174.778 174.778 172.620 2.158 18995 822 1 3 . 1 1 59 59 THR CA C 59 65.600 65.600 60.094 5.505 18995 823 1 3 . 1 1 59 59 THR CB C 59 69.600 69.600 71.285 -1.685 18995 824 1 3 . 1 1 59 59 THR H H 59 7.739 7.739 7.458 0.281 18995 825 1 3 . 1 1 60 60 LEU N N 60 119.636 119.636 123.210 -3.574 18995 826 1 3 . 1 1 60 60 LEU C C 60 177.561 177.561 177.335 0.226 18995 827 1 3 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.695 -1.095 18995 828 1 3 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.243 2.057 18995 829 1 3 . 1 1 60 60 LEU H H 60 7.643 7.643 8.721 -1.078 18995 830 1 3 . 1 1 61 61 ASP N N 61 117.424 117.424 125.319 -7.895 18995 831 1 3 . 1 1 61 61 ASP C C 61 175.915 175.915 174.788 1.127 18995 832 1 3 . 1 1 61 61 ASP CA C 61 54.600 54.600 54.032 0.568 18995 833 1 3 . 1 1 61 61 ASP H H 61 7.984 7.984 8.738 -0.754 18995 834 1 3 . 1 1 62 62 ASN N N 62 127.650 127.650 122.079 5.571 18995 835 1 3 . 1 1 62 62 ASN C C 62 175.905 175.905 174.468 1.437 18995 836 1 3 . 1 1 62 62 ASN CA C 62 54.900 54.900 52.898 2.002 18995 837 1 3 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.336 1.064 18995 838 1 3 . 1 1 62 62 ASN H H 62 9.032 9.032 8.148 0.884 18995 839 1 3 . 1 1 63 63 ASP N N 63 116.676 116.676 123.806 -7.130 18995 840 1 3 . 1 1 63 63 ASP C C 63 177.604 177.604 175.198 2.406 18995 841 1 3 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.676 2.724 18995 842 1 3 . 1 1 63 63 ASP CB C 63 40.200 40.200 44.827 -4.627 18995 843 1 3 . 1 1 63 63 ASP H H 63 8.302 8.302 9.607 -1.305 18995 844 1 3 . 1 1 64 64 GLY N N 64 109.334 109.334 111.200 -1.866 18995 845 1 3 . 1 1 64 64 GLY C C 64 174.834 174.834 174.891 -0.057 18995 846 1 3 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.339 4.361 18995 847 1 3 . 1 1 64 64 GLY H H 64 7.681 7.681 9.137 -1.456 18995 848 1 3 . 1 1 65 65 ASP N N 65 120.960 120.960 126.978 -6.018 18995 849 1 3 . 1 1 65 65 ASP C C 65 177.010 177.010 174.808 2.202 18995 850 1 3 . 1 1 65 65 ASP CA C 65 53.800 53.800 54.191 -0.391 18995 851 1 3 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.516 -0.216 18995 852 1 3 . 1 1 65 65 ASP H H 65 8.386 8.386 9.156 -0.770 18995 853 1 3 . 1 1 66 66 GLY N N 66 113.875 113.875 117.477 -3.602 18995 854 1 3 . 1 1 66 66 GLY C C 66 172.343 172.343 174.080 -1.737 18995 855 1 3 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.825 3.075 18995 856 1 3 . 1 1 66 66 GLY H H 66 10.212 10.212 9.005 1.208 18995 857 1 3 . 1 1 67 67 GLU N N 67 118.701 118.701 125.208 -6.507 18995 858 1 3 . 1 1 67 67 GLU C C 67 174.711 174.711 176.128 -1.417 18995 859 1 3 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.626 -0.426 18995 860 1 3 . 1 1 67 67 GLU H H 67 7.949 7.949 9.058 -1.109 18995 861 1 3 . 1 1 68 68 CYS N N 68 124.753 124.753 127.077 -2.324 18995 862 1 3 . 1 1 68 68 CYS C C 68 174.411 174.411 176.742 -2.331 18995 863 1 3 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.829 -5.829 18995 864 1 3 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.894 0.206 18995 865 1 3 . 1 1 68 68 CYS H H 68 9.486 9.486 8.430 1.056 18995 866 1 3 . 1 1 69 69 ASP N N 69 132.376 132.376 119.717 12.659 18995 867 1 3 . 1 1 69 69 ASP C C 69 175.307 175.307 174.912 0.395 18995 868 1 3 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.281 -0.981 18995 869 1 3 . 1 1 69 69 ASP CB C 69 40.600 40.600 39.095 1.505 18995 870 1 3 . 1 1 69 69 ASP H H 69 9.911 9.911 8.513 1.398 18995 871 1 3 . 1 1 70 70 PHE N N 70 119.131 119.131 119.344 -0.213 18995 872 1 3 . 1 1 70 70 PHE C C 70 176.482 176.482 174.483 1.999 18995 873 1 3 . 1 1 70 70 PHE CA C 70 62.900 62.900 58.313 4.587 18995 874 1 3 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.536 -1.436 18995 875 1 3 . 1 1 70 70 PHE H H 70 9.075 9.075 7.963 1.112 18995 876 1 3 . 1 1 71 71 GLN N N 71 119.323 119.323 117.699 1.624 18995 877 1 3 . 1 1 71 71 GLN C C 71 179.517 179.517 174.232 5.285 18995 878 1 3 . 1 1 71 71 GLN CA C 71 60.100 60.100 57.075 3.025 18995 879 1 3 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.805 0.395 18995 880 1 3 . 1 1 71 71 GLN H H 71 8.047 8.047 8.374 -0.327 18995 881 1 3 . 1 1 72 72 GLU N N 72 123.228 123.228 115.963 7.265 18995 882 1 3 . 1 1 72 72 GLU C C 72 179.337 179.337 175.098 4.239 18995 883 1 3 . 1 1 72 72 GLU CA C 72 58.900 58.900 55.160 3.740 18995 884 1 3 . 1 1 72 72 GLU CB C 72 30.300 30.300 32.707 -2.407 18995 885 1 3 . 1 1 72 72 GLU H H 72 9.061 9.061 7.265 1.796 18995 886 1 3 . 1 1 73 73 PHE N N 73 123.155 123.155 118.998 4.157 18995 887 1 3 . 1 1 73 73 PHE C C 73 176.497 176.497 175.195 1.302 18995 888 1 3 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.362 3.438 18995 889 1 3 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.875 -1.175 18995 890 1 3 . 1 1 73 73 PHE H H 73 8.863 8.863 9.363 -0.500 18995 891 1 3 . 1 1 74 74 MET N N 74 119.622 119.622 122.899 -3.277 18995 892 1 3 . 1 1 74 74 MET C C 74 178.476 178.476 174.737 3.739 18995 893 1 3 . 1 1 74 74 MET CA C 74 56.200 56.200 55.702 0.498 18995 894 1 3 . 1 1 74 74 MET CB C 74 30.400 30.400 33.408 -3.008 18995 895 1 3 . 1 1 74 74 MET H H 74 8.217 8.217 9.072 -0.855 18995 896 1 3 . 1 1 75 75 ALA N N 75 123.073 123.073 128.765 -5.692 18995 897 1 3 . 1 1 75 75 ALA C C 75 180.129 180.129 175.110 5.019 18995 898 1 3 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.295 4.905 18995 899 1 3 . 1 1 75 75 ALA H H 75 7.490 7.490 9.281 -1.791 18995 900 1 3 . 1 1 76 76 PHE N N 76 122.171 122.171 122.535 -0.364 18995 901 1 3 . 1 1 76 76 PHE C C 76 176.365 176.365 175.094 1.271 18995 902 1 3 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.417 2.383 18995 903 1 3 . 1 1 76 76 PHE CB C 76 38.600 38.600 42.689 -4.089 18995 904 1 3 . 1 1 76 76 PHE H H 76 7.676 7.676 8.227 -0.551 18995 905 1 3 . 1 1 77 77 VAL N N 77 119.765 119.765 124.214 -4.449 18995 906 1 3 . 1 1 77 77 VAL C C 77 179.175 179.175 177.795 1.380 18995 907 1 3 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.155 6.645 18995 908 1 3 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.397 -1.197 18995 909 1 3 . 1 1 77 77 VAL H H 77 8.498 8.498 8.640 -0.142 18995 910 1 3 . 1 1 78 78 ALA N N 78 123.880 123.880 122.249 1.631 18995 911 1 3 . 1 1 78 78 ALA C C 78 178.630 178.630 177.302 1.328 18995 912 1 3 . 1 1 78 78 ALA CA C 78 56.100 56.100 54.914 1.185 18995 913 1 3 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.682 -0.382 18995 914 1 3 . 1 1 78 78 ALA H H 78 8.193 8.193 8.768 -0.575 18995 915 1 3 . 1 1 79 79 MET N N 79 120.537 120.537 114.078 6.459 18995 916 1 3 . 1 1 79 79 MET C C 79 178.430 178.430 176.766 1.664 18995 917 1 3 . 1 1 79 79 MET CA C 79 59.500 59.500 54.327 5.173 18995 918 1 3 . 1 1 79 79 MET CB C 79 32.800 32.800 31.724 1.076 18995 919 1 3 . 1 1 79 79 MET H H 79 7.883 7.883 7.755 0.128 18995 920 1 3 . 1 1 80 80 VAL N N 80 120.374 120.374 119.209 1.165 18995 921 1 3 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.670 4.530 18995 922 1 3 . 1 1 80 80 VAL H H 80 8.299 8.299 7.502 0.797 18995 923 1 3 . 1 1 82 82 THR C C 82 175.144 175.144 172.322 2.822 18995 924 1 3 . 1 1 82 82 THR CA C 82 65.800 65.800 61.083 4.717 18995 925 1 3 . 1 1 83 83 ALA N N 83 123.244 123.244 122.870 0.374 18995 926 1 3 . 1 1 83 83 ALA C C 83 178.574 178.574 175.144 3.430 18995 927 1 3 . 1 1 83 83 ALA CA C 83 53.900 53.900 50.179 3.721 18995 928 1 3 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.878 -2.878 18995 929 1 3 . 1 1 83 83 ALA H H 83 7.587 7.587 8.659 -1.072 18995 930 1 3 . 1 1 84 84 CYS N N 84 116.910 116.910 117.313 -0.403 18995 931 1 3 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.444 2.356 18995 932 1 3 . 1 1 84 84 CYS CB C 84 27.900 27.900 28.787 -0.887 18995 933 1 3 . 1 1 84 84 CYS H H 84 7.788 7.788 8.446 -0.658 18995 934 1 3 . 1 1 86 86 GLU CA C 86 58.600 58.600 58.257 0.343 18995 935 1 3 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.193 -0.793 18995 936 1 3 . 1 1 87 87 PHE N N 87 118.550 118.550 117.893 0.657 18995 937 1 3 . 1 1 87 87 PHE C C 87 175.597 175.597 174.897 0.700 18995 938 1 3 . 1 1 87 87 PHE CA C 87 59.100 59.100 57.730 1.370 18995 939 1 3 . 1 1 87 87 PHE CB C 87 39.400 39.400 39.931 -0.531 18995 940 1 3 . 1 1 87 87 PHE H H 87 7.838 7.838 7.810 0.028 18995 941 1 3 . 1 1 88 88 PHE N N 88 118.438 118.438 125.107 -6.669 18995 942 1 3 . 1 1 88 88 PHE C C 88 175.241 175.241 175.917 -0.676 18995 943 1 3 . 1 1 88 88 PHE CA C 88 58.200 58.200 57.490 0.710 18995 944 1 3 . 1 1 88 88 PHE CB C 88 39.700 39.700 37.585 2.115 18995 945 1 3 . 1 1 88 88 PHE H H 88 7.718 7.718 8.435 -0.717 18995 946 1 3 . 1 1 89 89 GLU N N 89 121.366 121.366 125.794 -4.428 18995 947 1 3 . 1 1 89 89 GLU C C 89 175.437 175.437 177.054 -1.617 18995 948 1 3 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.347 2.253 18995 949 1 3 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.105 -0.805 18995 950 1 3 . 1 1 89 89 GLU H H 89 7.959 7.959 7.895 0.064 18995 951 1 3 . 1 1 90 90 HIS N N 90 120.349 120.349 116.179 4.170 18995 952 1 3 . 1 1 90 90 HIS C C 90 173.652 173.652 175.272 -1.620 18995 953 1 3 . 1 1 90 90 HIS CA C 90 55.800 55.800 57.892 -2.092 18995 954 1 3 . 1 1 90 90 HIS CB C 90 30.100 30.100 29.428 0.672 18995 955 1 3 . 1 1 90 90 HIS H H 90 8.116 8.116 8.619 -0.503 18995 956 1 3 . 1 1 91 91 GLU N N 91 127.965 127.965 117.689 10.276 18995 957 1 3 . 1 1 91 91 GLU H H 91 8.235 8.235 7.511 0.724 18995 958 1 4 . 1 1 20 20 ARG C C 20 177.097 177.097 175.066 2.031 18995 959 1 4 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.858 4.242 18995 960 1 4 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.885 0.115 18995 961 1 4 . 1 1 21 21 GLU N N 21 116.519 116.519 120.581 -4.062 18995 962 1 4 . 1 1 21 21 GLU C C 21 175.055 175.055 175.392 -0.337 18995 963 1 4 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.511 1.089 18995 964 1 4 . 1 1 21 21 GLU CB C 21 35.700 35.700 34.171 1.529 18995 965 1 4 . 1 1 21 21 GLU H H 21 9.468 9.468 9.121 0.347 18995 966 1 4 . 1 1 22 22 GLY N N 22 122.197 122.197 109.850 12.347 18995 967 1 4 . 1 1 22 22 GLY C C 22 180.081 180.081 173.702 6.379 18995 968 1 4 . 1 1 22 22 GLY H H 22 10.096 10.096 9.183 0.913 18995 969 1 4 . 1 1 23 23 ASP N N 23 113.764 113.764 126.209 -12.445 18995 970 1 4 . 1 1 23 23 ASP C C 23 178.957 178.957 175.536 3.421 18995 971 1 4 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.539 1.961 18995 972 1 4 . 1 1 23 23 ASP H H 23 8.115 8.115 9.302 -1.187 18995 973 1 4 . 1 1 24 24 LYS N N 24 131.954 131.954 127.647 4.307 18995 974 1 4 . 1 1 24 24 LYS C C 24 176.539 176.539 175.073 1.466 18995 975 1 4 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.434 2.766 18995 976 1 4 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.832 -2.132 18995 977 1 4 . 1 1 24 24 LYS H H 24 9.484 9.484 8.975 0.509 18995 978 1 4 . 1 1 25 25 HIS N N 25 119.313 119.313 127.889 -8.576 18995 979 1 4 . 1 1 25 25 HIS C C 25 172.815 172.815 174.329 -1.514 18995 980 1 4 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.336 1.164 18995 981 1 4 . 1 1 25 25 HIS CB C 25 30.800 30.800 32.314 -1.514 18995 982 1 4 . 1 1 25 25 HIS H H 25 9.589 9.589 8.676 0.913 18995 983 1 4 . 1 1 26 26 LYS N N 26 115.394 115.394 125.895 -10.501 18995 984 1 4 . 1 1 26 26 LYS C C 26 174.608 174.608 175.036 -0.428 18995 985 1 4 . 1 1 26 26 LYS CA C 26 55.400 55.400 56.905 -1.505 18995 986 1 4 . 1 1 26 26 LYS CB C 26 39.100 39.100 32.221 6.879 18995 987 1 4 . 1 1 26 26 LYS H H 26 7.095 7.095 8.184 -1.089 18995 988 1 4 . 1 1 27 27 LEU N N 27 126.263 126.263 119.555 6.708 18995 989 1 4 . 1 1 27 27 LEU C C 27 175.637 175.637 176.528 -0.891 18995 990 1 4 . 1 1 27 27 LEU CA C 27 52.800 52.800 53.861 -1.061 18995 991 1 4 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.033 1.667 18995 992 1 4 . 1 1 27 27 LEU H H 27 9.595 9.595 6.965 2.630 18995 993 1 4 . 1 1 28 28 LYS N N 28 124.436 124.436 124.816 -0.380 18995 994 1 4 . 1 1 28 28 LYS C C 28 177.395 177.395 175.841 1.554 18995 995 1 4 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.398 -1.198 18995 996 1 4 . 1 1 28 28 LYS H H 28 9.711 9.711 8.451 1.260 18995 997 1 4 . 1 1 29 29 LYS N N 29 121.980 121.980 118.633 3.347 18995 998 1 4 . 1 1 29 29 LYS C C 29 177.400 177.400 174.844 2.556 18995 999 1 4 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.769 6.931 18995 1000 1 4 . 1 1 29 29 LYS H H 29 9.084 9.084 7.369 1.715 18995 1001 1 4 . 1 1 30 30 SER N N 30 111.519 111.519 113.556 -2.037 18995 1002 1 4 . 1 1 30 30 SER C C 30 176.950 176.950 173.304 3.646 18995 1003 1 4 . 1 1 30 30 SER CA C 30 61.100 61.100 56.266 4.834 18995 1004 1 4 . 1 1 30 30 SER CB C 30 61.300 61.300 64.894 -3.594 18995 1005 1 4 . 1 1 30 30 SER H H 30 8.267 8.267 6.964 1.303 18995 1006 1 4 . 1 1 31 31 GLU N N 31 123.792 123.792 119.913 3.879 18995 1007 1 4 . 1 1 31 31 GLU C C 31 179.463 179.463 176.928 2.535 18995 1008 1 4 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.246 4.854 18995 1009 1 4 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.059 -1.859 18995 1010 1 4 . 1 1 31 31 GLU H H 31 6.603 6.603 9.398 -2.795 18995 1011 1 4 . 1 1 32 32 LEU N N 32 121.954 121.954 125.251 -3.297 18995 1012 1 4 . 1 1 32 32 LEU C C 32 176.995 176.995 175.742 1.253 18995 1013 1 4 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.480 2.420 18995 1014 1 4 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.162 0.138 18995 1015 1 4 . 1 1 32 32 LEU H H 32 8.936 8.936 9.065 -0.129 18995 1016 1 4 . 1 1 33 33 LYS N N 33 118.576 118.576 128.670 -10.094 18995 1017 1 4 . 1 1 33 33 LYS C C 33 176.714 176.714 175.144 1.570 18995 1018 1 4 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.802 5.698 18995 1019 1 4 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.161 -1.262 18995 1020 1 4 . 1 1 33 33 LYS H H 33 8.390 8.390 9.248 -0.858 18995 1021 1 4 . 1 1 34 34 GLU N N 34 116.152 116.152 128.351 -12.199 18995 1022 1 4 . 1 1 34 34 GLU C C 34 177.689 177.689 175.327 2.362 18995 1023 1 4 . 1 1 34 34 GLU CA C 34 59.400 59.400 56.000 3.400 18995 1024 1 4 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.627 -1.227 18995 1025 1 4 . 1 1 34 34 GLU H H 34 7.326 7.326 8.383 -1.057 18995 1026 1 4 . 1 1 35 35 LEU N N 35 123.632 123.632 127.889 -4.257 18995 1027 1 4 . 1 1 35 35 LEU C C 35 178.845 178.845 176.556 2.289 18995 1028 1 4 . 1 1 35 35 LEU CA C 35 59.800 59.800 53.040 6.760 18995 1029 1 4 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.141 -1.141 18995 1030 1 4 . 1 1 35 35 LEU H H 35 7.978 7.978 9.019 -1.041 18995 1031 1 4 . 1 1 36 36 ILE C C 36 178.328 178.328 176.149 2.179 18995 1032 1 4 . 1 1 36 36 ILE CA C 36 66.300 66.300 62.988 3.312 18995 1033 1 4 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.381 0.319 18995 1034 1 4 . 1 1 37 37 ASN N N 37 118.242 118.242 113.188 5.054 18995 1035 1 4 . 1 1 37 37 ASN C C 37 177.052 177.052 176.651 0.401 18995 1036 1 4 . 1 1 37 37 ASN CA C 37 54.800 54.800 53.558 1.242 18995 1037 1 4 . 1 1 37 37 ASN CB C 37 37.500 37.500 38.325 -0.825 18995 1038 1 4 . 1 1 37 37 ASN H H 37 8.336 8.336 8.473 -0.137 18995 1039 1 4 . 1 1 38 38 ASN N N 38 114.845 114.845 118.975 -4.130 18995 1040 1 4 . 1 1 38 38 ASN C C 38 176.578 176.578 174.627 1.951 18995 1041 1 4 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.738 2.462 18995 1042 1 4 . 1 1 38 38 ASN H H 38 8.213 8.213 8.007 0.206 18995 1043 1 4 . 1 1 39 39 GLU N N 39 113.797 113.797 121.225 -7.428 18995 1044 1 4 . 1 1 39 39 GLU C C 39 177.689 177.689 174.650 3.039 18995 1045 1 4 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.829 -1.629 18995 1046 1 4 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.011 0.289 18995 1047 1 4 . 1 1 39 39 GLU H H 39 8.522 8.522 8.487 0.035 18995 1048 1 4 . 1 1 40 40 LEU N N 40 119.982 119.982 122.383 -2.401 18995 1049 1 4 . 1 1 40 40 LEU C C 40 177.212 177.212 175.559 1.653 18995 1050 1 4 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.524 0.576 18995 1051 1 4 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.236 -1.536 18995 1052 1 4 . 1 1 40 40 LEU H H 40 7.552 7.552 8.585 -1.033 18995 1053 1 4 . 1 1 41 41 SER N N 41 114.635 114.635 120.372 -5.737 18995 1054 1 4 . 1 1 41 41 SER C C 41 175.688 175.688 172.655 3.033 18995 1055 1 4 . 1 1 41 41 SER CA C 41 60.800 60.800 56.954 3.846 18995 1056 1 4 . 1 1 41 41 SER CB C 41 64.100 64.100 67.179 -3.079 18995 1057 1 4 . 1 1 41 41 SER H H 41 7.592 7.592 9.170 -1.578 18995 1058 1 4 . 1 1 42 42 HIS N N 42 122.397 122.397 115.541 6.856 18995 1059 1 4 . 1 1 42 42 HIS C C 42 175.523 175.523 172.300 3.223 18995 1060 1 4 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.385 3.316 18995 1061 1 4 . 1 1 42 42 HIS H H 42 10.406 10.406 8.365 2.041 18995 1062 1 4 . 1 1 43 43 PHE N N 43 117.618 117.618 121.698 -4.080 18995 1063 1 4 . 1 1 43 43 PHE C C 43 177.431 177.431 176.018 1.413 18995 1064 1 4 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.411 3.389 18995 1065 1 4 . 1 1 43 43 PHE H H 43 7.785 7.785 8.263 -0.478 18995 1066 1 4 . 1 1 44 44 LEU N N 44 120.185 120.185 125.794 -5.609 18995 1067 1 4 . 1 1 44 44 LEU C C 44 175.829 175.829 176.288 -0.459 18995 1068 1 4 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.007 -2.207 18995 1069 1 4 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.629 2.371 18995 1070 1 4 . 1 1 44 44 LEU H H 44 8.533 8.533 8.844 -0.311 18995 1071 1 4 . 1 1 45 45 GLU N N 45 121.499 121.499 119.993 1.506 18995 1072 1 4 . 1 1 45 45 GLU C C 45 175.060 175.060 177.278 -2.218 18995 1073 1 4 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.355 0.245 18995 1074 1 4 . 1 1 45 45 GLU CB C 45 30.600 30.600 29.656 0.944 18995 1075 1 4 . 1 1 45 45 GLU H H 45 8.130 8.130 8.374 -0.244 18995 1076 1 4 . 1 1 46 46 GLU N N 46 122.480 122.480 125.550 -3.070 18995 1077 1 4 . 1 1 46 46 GLU C C 46 176.861 176.861 176.061 0.800 18995 1078 1 4 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.349 -0.549 18995 1079 1 4 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.155 1.545 18995 1080 1 4 . 1 1 46 46 GLU H H 46 8.123 8.123 8.777 -0.654 18995 1081 1 4 . 1 1 47 47 ILE N N 47 127.680 127.680 118.831 8.849 18995 1082 1 4 . 1 1 47 47 ILE C C 47 175.931 175.931 175.746 0.185 18995 1083 1 4 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.816 0.284 18995 1084 1 4 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.815 0.785 18995 1085 1 4 . 1 1 47 47 ILE H H 47 9.897 9.897 7.811 2.086 18995 1086 1 4 . 1 1 48 48 LYS N N 48 126.846 126.846 123.841 3.005 18995 1087 1 4 . 1 1 48 48 LYS C C 48 175.896 175.896 175.971 -0.075 18995 1088 1 4 . 1 1 48 48 LYS CA C 48 56.600 56.600 54.302 2.298 18995 1089 1 4 . 1 1 48 48 LYS CB C 48 34.700 34.700 34.366 0.334 18995 1090 1 4 . 1 1 48 48 LYS H H 48 9.077 9.077 7.380 1.697 18995 1091 1 4 . 1 1 49 49 GLU C C 49 179.470 179.470 176.641 2.829 18995 1092 1 4 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.343 -1.742 18995 1093 1 4 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.642 2.159 18995 1094 1 4 . 1 1 50 50 GLN N N 50 125.850 125.850 118.978 6.872 18995 1095 1 4 . 1 1 50 50 GLN C C 50 176.883 176.883 176.195 0.688 18995 1096 1 4 . 1 1 50 50 GLN CA C 50 58.500 58.500 58.010 0.490 18995 1097 1 4 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.359 0.041 18995 1098 1 4 . 1 1 50 50 GLN H H 50 9.041 9.041 8.837 0.204 18995 1099 1 4 . 1 1 51 51 GLU N N 51 117.404 117.404 112.195 5.209 18995 1100 1 4 . 1 1 51 51 GLU C C 51 178.262 178.262 175.650 2.612 18995 1101 1 4 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.488 4.212 18995 1102 1 4 . 1 1 51 51 GLU CB C 51 29.300 29.300 30.220 -0.920 18995 1103 1 4 . 1 1 51 51 GLU H H 51 9.352 9.352 7.329 2.023 18995 1104 1 4 . 1 1 52 52 VAL N N 52 118.888 118.888 122.713 -3.825 18995 1105 1 4 . 1 1 52 52 VAL C C 52 177.677 177.677 174.807 2.870 18995 1106 1 4 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.723 4.377 18995 1107 1 4 . 1 1 52 52 VAL CB C 52 31.700 31.700 30.585 1.115 18995 1108 1 4 . 1 1 52 52 VAL H H 52 7.247 7.247 7.235 0.012 18995 1109 1 4 . 1 1 53 53 VAL N N 53 119.906 119.906 123.448 -3.542 18995 1110 1 4 . 1 1 53 53 VAL C C 53 176.742 176.742 174.777 1.965 18995 1111 1 4 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.650 5.550 18995 1112 1 4 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.621 -3.022 18995 1113 1 4 . 1 1 53 53 VAL H H 53 7.264 7.264 8.919 -1.655 18995 1114 1 4 . 1 1 54 54 ASP N N 54 121.483 121.483 120.545 0.938 18995 1115 1 4 . 1 1 54 54 ASP C C 54 178.291 178.291 174.588 3.703 18995 1116 1 4 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.248 5.952 18995 1117 1 4 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.067 -4.067 18995 1118 1 4 . 1 1 54 54 ASP H H 54 8.524 8.524 9.069 -0.545 18995 1119 1 4 . 1 1 55 55 LYS N N 55 120.875 120.875 127.731 -6.856 18995 1120 1 4 . 1 1 55 55 LYS C C 55 179.054 179.054 176.214 2.840 18995 1121 1 4 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.322 3.578 18995 1122 1 4 . 1 1 55 55 LYS CB C 55 32.200 32.200 31.681 0.519 18995 1123 1 4 . 1 1 55 55 LYS H H 55 7.580 7.580 8.871 -1.291 18995 1124 1 4 . 1 1 56 56 VAL N N 56 121.960 121.960 122.878 -0.918 18995 1125 1 4 . 1 1 56 56 VAL C C 56 178.221 178.221 175.029 3.192 18995 1126 1 4 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.700 5.300 18995 1127 1 4 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.255 -1.555 18995 1128 1 4 . 1 1 56 56 VAL H H 56 8.279 8.279 7.946 0.333 18995 1129 1 4 . 1 1 57 57 MET N N 57 118.815 118.815 125.550 -6.735 18995 1130 1 4 . 1 1 57 57 MET C C 57 176.888 176.888 175.365 1.523 18995 1131 1 4 . 1 1 57 57 MET CA C 57 57.900 57.900 54.164 3.736 18995 1132 1 4 . 1 1 57 57 MET CB C 57 32.900 32.900 33.264 -0.364 18995 1133 1 4 . 1 1 57 57 MET H H 57 8.467 8.467 8.785 -0.318 18995 1134 1 4 . 1 1 58 58 GLU N N 58 117.894 117.894 125.535 -7.641 18995 1135 1 4 . 1 1 58 58 GLU C C 58 178.510 178.510 176.566 1.944 18995 1136 1 4 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.560 1.840 18995 1137 1 4 . 1 1 58 58 GLU CB C 58 29.800 29.800 30.841 -1.041 18995 1138 1 4 . 1 1 58 58 GLU H H 58 8.073 8.073 8.717 -0.644 18995 1139 1 4 . 1 1 59 59 THR N N 59 113.244 113.244 112.828 0.416 18995 1140 1 4 . 1 1 59 59 THR C C 59 174.778 174.778 172.793 1.985 18995 1141 1 4 . 1 1 59 59 THR CA C 59 65.600 65.600 59.751 5.849 18995 1142 1 4 . 1 1 59 59 THR CB C 59 69.600 69.600 71.167 -1.567 18995 1143 1 4 . 1 1 59 59 THR H H 59 7.739 7.739 7.509 0.230 18995 1144 1 4 . 1 1 60 60 LEU N N 60 119.636 119.636 123.290 -3.654 18995 1145 1 4 . 1 1 60 60 LEU C C 60 177.561 177.561 177.280 0.281 18995 1146 1 4 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.495 -0.895 18995 1147 1 4 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.153 2.147 18995 1148 1 4 . 1 1 60 60 LEU H H 60 7.643 7.643 8.675 -1.032 18995 1149 1 4 . 1 1 61 61 ASP N N 61 117.424 117.424 124.952 -7.528 18995 1150 1 4 . 1 1 61 61 ASP C C 61 175.915 175.915 174.644 1.271 18995 1151 1 4 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.823 0.777 18995 1152 1 4 . 1 1 61 61 ASP H H 61 7.984 7.984 8.604 -0.620 18995 1153 1 4 . 1 1 62 62 ASN N N 62 127.650 127.650 122.194 5.456 18995 1154 1 4 . 1 1 62 62 ASN C C 62 175.905 175.905 174.463 1.442 18995 1155 1 4 . 1 1 62 62 ASN CA C 62 54.900 54.900 52.883 2.017 18995 1156 1 4 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.498 0.902 18995 1157 1 4 . 1 1 62 62 ASN H H 62 9.032 9.032 8.147 0.885 18995 1158 1 4 . 1 1 63 63 ASP N N 63 116.676 116.676 123.067 -6.391 18995 1159 1 4 . 1 1 63 63 ASP C C 63 177.604 177.604 174.897 2.707 18995 1160 1 4 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.898 2.502 18995 1161 1 4 . 1 1 63 63 ASP CB C 63 40.200 40.200 44.990 -4.790 18995 1162 1 4 . 1 1 63 63 ASP H H 63 8.302 8.302 9.658 -1.356 18995 1163 1 4 . 1 1 64 64 GLY N N 64 109.334 109.334 110.459 -1.125 18995 1164 1 4 . 1 1 64 64 GLY C C 64 174.834 174.834 174.260 0.574 18995 1165 1 4 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.762 3.938 18995 1166 1 4 . 1 1 64 64 GLY H H 64 7.681 7.681 9.102 -1.421 18995 1167 1 4 . 1 1 65 65 ASP N N 65 120.960 120.960 126.856 -5.896 18995 1168 1 4 . 1 1 65 65 ASP C C 65 177.010 177.010 174.611 2.399 18995 1169 1 4 . 1 1 65 65 ASP CA C 65 53.800 53.800 54.062 -0.262 18995 1170 1 4 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.712 -0.411 18995 1171 1 4 . 1 1 65 65 ASP H H 65 8.386 8.386 9.274 -0.888 18995 1172 1 4 . 1 1 66 66 GLY N N 66 113.875 113.875 117.435 -3.560 18995 1173 1 4 . 1 1 66 66 GLY C C 66 172.343 172.343 174.194 -1.851 18995 1174 1 4 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.763 3.137 18995 1175 1 4 . 1 1 66 66 GLY H H 66 10.212 10.212 8.855 1.357 18995 1176 1 4 . 1 1 67 67 GLU N N 67 118.701 118.701 126.038 -7.337 18995 1177 1 4 . 1 1 67 67 GLU C C 67 174.711 174.711 176.250 -1.539 18995 1178 1 4 . 1 1 67 67 GLU CA C 67 55.200 55.200 56.103 -0.903 18995 1179 1 4 . 1 1 67 67 GLU H H 67 7.949 7.949 9.002 -1.053 18995 1180 1 4 . 1 1 68 68 CYS N N 68 124.753 124.753 127.143 -2.390 18995 1181 1 4 . 1 1 68 68 CYS C C 68 174.411 174.411 175.617 -1.206 18995 1182 1 4 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.339 -5.339 18995 1183 1 4 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.885 0.215 18995 1184 1 4 . 1 1 68 68 CYS H H 68 9.486 9.486 8.521 0.965 18995 1185 1 4 . 1 1 69 69 ASP N N 69 132.376 132.376 118.115 14.261 18995 1186 1 4 . 1 1 69 69 ASP C C 69 175.307 175.307 175.182 0.125 18995 1187 1 4 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.939 -1.639 18995 1188 1 4 . 1 1 69 69 ASP CB C 69 40.600 40.600 40.661 -0.061 18995 1189 1 4 . 1 1 69 69 ASP H H 69 9.911 9.911 8.232 1.679 18995 1190 1 4 . 1 1 70 70 PHE N N 70 119.131 119.131 118.295 0.836 18995 1191 1 4 . 1 1 70 70 PHE C C 70 176.482 176.482 174.908 1.574 18995 1192 1 4 . 1 1 70 70 PHE CA C 70 62.900 62.900 58.027 4.873 18995 1193 1 4 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.774 -1.674 18995 1194 1 4 . 1 1 70 70 PHE H H 70 9.075 9.075 7.200 1.875 18995 1195 1 4 . 1 1 71 71 GLN N N 71 119.323 119.323 118.448 0.875 18995 1196 1 4 . 1 1 71 71 GLN C C 71 179.517 179.517 173.787 5.730 18995 1197 1 4 . 1 1 71 71 GLN CA C 71 60.100 60.100 56.927 3.173 18995 1198 1 4 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.489 0.711 18995 1199 1 4 . 1 1 71 71 GLN H H 71 8.047 8.047 8.436 -0.389 18995 1200 1 4 . 1 1 72 72 GLU N N 72 123.228 123.228 115.927 7.301 18995 1201 1 4 . 1 1 72 72 GLU C C 72 179.337 179.337 174.840 4.497 18995 1202 1 4 . 1 1 72 72 GLU CA C 72 58.900 58.900 55.058 3.842 18995 1203 1 4 . 1 1 72 72 GLU CB C 72 30.300 30.300 33.649 -3.349 18995 1204 1 4 . 1 1 72 72 GLU H H 72 9.061 9.061 7.305 1.756 18995 1205 1 4 . 1 1 73 73 PHE N N 73 123.155 123.155 120.087 3.068 18995 1206 1 4 . 1 1 73 73 PHE C C 73 176.497 176.497 175.587 0.910 18995 1207 1 4 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.774 3.026 18995 1208 1 4 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.659 -0.959 18995 1209 1 4 . 1 1 73 73 PHE H H 73 8.863 8.863 9.426 -0.563 18995 1210 1 4 . 1 1 74 74 MET N N 74 119.622 119.622 122.968 -3.346 18995 1211 1 4 . 1 1 74 74 MET C C 74 178.476 178.476 174.729 3.747 18995 1212 1 4 . 1 1 74 74 MET CA C 74 56.200 56.200 55.548 0.652 18995 1213 1 4 . 1 1 74 74 MET CB C 74 30.400 30.400 33.500 -3.100 18995 1214 1 4 . 1 1 74 74 MET H H 74 8.217 8.217 9.059 -0.842 18995 1215 1 4 . 1 1 75 75 ALA N N 75 123.073 123.073 128.687 -5.614 18995 1216 1 4 . 1 1 75 75 ALA C C 75 180.129 180.129 175.150 4.979 18995 1217 1 4 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.337 4.863 18995 1218 1 4 . 1 1 75 75 ALA H H 75 7.490 7.490 9.271 -1.781 18995 1219 1 4 . 1 1 76 76 PHE N N 76 122.171 122.171 121.786 0.385 18995 1220 1 4 . 1 1 76 76 PHE C C 76 176.365 176.365 175.075 1.290 18995 1221 1 4 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.217 2.583 18995 1222 1 4 . 1 1 76 76 PHE CB C 76 38.600 38.600 43.070 -4.470 18995 1223 1 4 . 1 1 76 76 PHE H H 76 7.676 7.676 8.274 -0.598 18995 1224 1 4 . 1 1 77 77 VAL N N 77 119.765 119.765 124.223 -4.458 18995 1225 1 4 . 1 1 77 77 VAL C C 77 179.175 179.175 177.630 1.545 18995 1226 1 4 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.449 6.351 18995 1227 1 4 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.404 -1.204 18995 1228 1 4 . 1 1 77 77 VAL H H 77 8.498 8.498 8.754 -0.256 18995 1229 1 4 . 1 1 78 78 ALA N N 78 123.880 123.880 122.433 1.447 18995 1230 1 4 . 1 1 78 78 ALA C C 78 178.630 178.630 177.509 1.121 18995 1231 1 4 . 1 1 78 78 ALA CA C 78 56.100 56.100 55.189 0.911 18995 1232 1 4 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.683 -0.383 18995 1233 1 4 . 1 1 78 78 ALA H H 78 8.193 8.193 8.807 -0.614 18995 1234 1 4 . 1 1 79 79 MET N N 79 120.537 120.537 114.139 6.398 18995 1235 1 4 . 1 1 79 79 MET C C 79 178.430 178.430 176.863 1.567 18995 1236 1 4 . 1 1 79 79 MET CA C 79 59.500 59.500 54.470 5.030 18995 1237 1 4 . 1 1 79 79 MET CB C 79 32.800 32.800 31.832 0.968 18995 1238 1 4 . 1 1 79 79 MET H H 79 7.883 7.883 7.780 0.103 18995 1239 1 4 . 1 1 80 80 VAL N N 80 120.374 120.374 119.628 0.746 18995 1240 1 4 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.791 4.409 18995 1241 1 4 . 1 1 80 80 VAL H H 80 8.299 8.299 7.774 0.525 18995 1242 1 4 . 1 1 82 82 THR C C 82 175.144 175.144 172.608 2.536 18995 1243 1 4 . 1 1 82 82 THR CA C 82 65.800 65.800 61.263 4.537 18995 1244 1 4 . 1 1 83 83 ALA N N 83 123.244 123.244 123.244 0.000 18995 1245 1 4 . 1 1 83 83 ALA C C 83 178.574 178.574 175.320 3.254 18995 1246 1 4 . 1 1 83 83 ALA CA C 83 53.900 53.900 49.747 4.153 18995 1247 1 4 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.888 -2.888 18995 1248 1 4 . 1 1 83 83 ALA H H 83 7.587 7.587 8.742 -1.155 18995 1249 1 4 . 1 1 84 84 CYS N N 84 116.910 116.910 117.204 -0.294 18995 1250 1 4 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.292 2.508 18995 1251 1 4 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.712 -1.812 18995 1252 1 4 . 1 1 84 84 CYS H H 84 7.788 7.788 8.512 -0.724 18995 1253 1 4 . 1 1 86 86 GLU CA C 86 58.600 58.600 58.282 0.318 18995 1254 1 4 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.094 -0.694 18995 1255 1 4 . 1 1 87 87 PHE N N 87 118.550 118.550 120.542 -1.992 18995 1256 1 4 . 1 1 87 87 PHE C C 87 175.597 175.597 175.089 0.508 18995 1257 1 4 . 1 1 87 87 PHE CA C 87 59.100 59.100 57.801 1.298 18995 1258 1 4 . 1 1 87 87 PHE CB C 87 39.400 39.400 39.506 -0.106 18995 1259 1 4 . 1 1 87 87 PHE H H 87 7.838 7.838 7.603 0.235 18995 1260 1 4 . 1 1 88 88 PHE N N 88 118.438 118.438 128.007 -9.569 18995 1261 1 4 . 1 1 88 88 PHE C C 88 175.241 175.241 176.173 -0.932 18995 1262 1 4 . 1 1 88 88 PHE CA C 88 58.200 58.200 58.103 0.097 18995 1263 1 4 . 1 1 88 88 PHE CB C 88 39.700 39.700 37.252 2.448 18995 1264 1 4 . 1 1 88 88 PHE H H 88 7.718 7.718 8.645 -0.927 18995 1265 1 4 . 1 1 89 89 GLU N N 89 121.366 121.366 126.391 -5.025 18995 1266 1 4 . 1 1 89 89 GLU C C 89 175.437 175.437 177.169 -1.732 18995 1267 1 4 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.346 2.255 18995 1268 1 4 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.506 -1.206 18995 1269 1 4 . 1 1 89 89 GLU H H 89 7.959 7.959 8.020 -0.061 18995 1270 1 4 . 1 1 90 90 HIS N N 90 120.349 120.349 115.754 4.595 18995 1271 1 4 . 1 1 90 90 HIS C C 90 173.652 173.652 175.000 -1.348 18995 1272 1 4 . 1 1 90 90 HIS CA C 90 55.800 55.800 57.390 -1.590 18995 1273 1 4 . 1 1 90 90 HIS CB C 90 30.100 30.100 28.769 1.331 18995 1274 1 4 . 1 1 90 90 HIS H H 90 8.116 8.116 8.680 -0.564 18995 1275 1 4 . 1 1 91 91 GLU N N 91 127.965 127.965 116.696 11.269 18995 1276 1 4 . 1 1 91 91 GLU H H 91 8.235 8.235 7.488 0.747 18995 1277 1 5 . 1 1 20 20 ARG C C 20 177.097 177.097 175.043 2.054 18995 1278 1 5 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.758 4.341 18995 1279 1 5 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.970 0.031 18995 1280 1 5 . 1 1 21 21 GLU N N 21 116.519 116.519 120.345 -3.826 18995 1281 1 5 . 1 1 21 21 GLU C C 21 175.055 175.055 175.901 -0.846 18995 1282 1 5 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.375 1.225 18995 1283 1 5 . 1 1 21 21 GLU CB C 21 35.700 35.700 33.707 1.993 18995 1284 1 5 . 1 1 21 21 GLU H H 21 9.468 9.468 9.094 0.374 18995 1285 1 5 . 1 1 22 22 GLY N N 22 122.197 122.197 110.633 11.564 18995 1286 1 5 . 1 1 22 22 GLY C C 22 180.081 180.081 174.419 5.662 18995 1287 1 5 . 1 1 22 22 GLY H H 22 10.096 10.096 9.205 0.891 18995 1288 1 5 . 1 1 23 23 ASP N N 23 113.764 113.764 126.283 -12.519 18995 1289 1 5 . 1 1 23 23 ASP C C 23 178.957 178.957 175.491 3.466 18995 1290 1 5 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.723 1.777 18995 1291 1 5 . 1 1 23 23 ASP H H 23 8.115 8.115 9.242 -1.127 18995 1292 1 5 . 1 1 24 24 LYS N N 24 131.954 131.954 127.793 4.161 18995 1293 1 5 . 1 1 24 24 LYS C C 24 176.539 176.539 175.241 1.298 18995 1294 1 5 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.215 2.985 18995 1295 1 5 . 1 1 24 24 LYS CB C 24 31.700 31.700 34.469 -2.769 18995 1296 1 5 . 1 1 24 24 LYS H H 24 9.484 9.484 8.992 0.492 18995 1297 1 5 . 1 1 25 25 HIS N N 25 119.313 119.313 128.347 -9.034 18995 1298 1 5 . 1 1 25 25 HIS C C 25 172.815 172.815 174.515 -1.700 18995 1299 1 5 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.180 1.320 18995 1300 1 5 . 1 1 25 25 HIS CB C 25 30.800 30.800 31.997 -1.198 18995 1301 1 5 . 1 1 25 25 HIS H H 25 9.589 9.589 8.590 0.999 18995 1302 1 5 . 1 1 26 26 LYS N N 26 115.394 115.394 126.526 -11.132 18995 1303 1 5 . 1 1 26 26 LYS C C 26 174.608 174.608 175.753 -1.145 18995 1304 1 5 . 1 1 26 26 LYS CA C 26 55.400 55.400 57.670 -2.270 18995 1305 1 5 . 1 1 26 26 LYS CB C 26 39.100 39.100 32.238 6.862 18995 1306 1 5 . 1 1 26 26 LYS H H 26 7.095 7.095 8.071 -0.976 18995 1307 1 5 . 1 1 27 27 LEU N N 27 126.263 126.263 119.483 6.780 18995 1308 1 5 . 1 1 27 27 LEU C C 27 175.637 175.637 176.711 -1.074 18995 1309 1 5 . 1 1 27 27 LEU CA C 27 52.800 52.800 54.656 -1.856 18995 1310 1 5 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.256 1.444 18995 1311 1 5 . 1 1 27 27 LEU H H 27 9.595 9.595 7.062 2.533 18995 1312 1 5 . 1 1 28 28 LYS N N 28 124.436 124.436 125.607 -1.171 18995 1313 1 5 . 1 1 28 28 LYS C C 28 177.395 177.395 176.096 1.299 18995 1314 1 5 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.539 -1.339 18995 1315 1 5 . 1 1 28 28 LYS H H 28 9.711 9.711 8.717 0.994 18995 1316 1 5 . 1 1 29 29 LYS N N 29 121.980 121.980 119.252 2.728 18995 1317 1 5 . 1 1 29 29 LYS C C 29 177.400 177.400 174.917 2.483 18995 1318 1 5 . 1 1 29 29 LYS CA C 29 62.700 62.700 56.094 6.606 18995 1319 1 5 . 1 1 29 29 LYS H H 29 9.084 9.084 7.450 1.634 18995 1320 1 5 . 1 1 30 30 SER N N 30 111.519 111.519 112.877 -1.358 18995 1321 1 5 . 1 1 30 30 SER C C 30 176.950 176.950 172.836 4.114 18995 1322 1 5 . 1 1 30 30 SER CA C 30 61.100 61.100 56.550 4.550 18995 1323 1 5 . 1 1 30 30 SER CB C 30 61.300 61.300 66.306 -5.006 18995 1324 1 5 . 1 1 30 30 SER H H 30 8.267 8.267 7.115 1.152 18995 1325 1 5 . 1 1 31 31 GLU N N 31 123.792 123.792 119.306 4.486 18995 1326 1 5 . 1 1 31 31 GLU C C 31 179.463 179.463 176.658 2.805 18995 1327 1 5 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.246 4.854 18995 1328 1 5 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.667 -2.467 18995 1329 1 5 . 1 1 31 31 GLU H H 31 6.603 6.603 9.570 -2.967 18995 1330 1 5 . 1 1 32 32 LEU N N 32 121.954 121.954 124.873 -2.919 18995 1331 1 5 . 1 1 32 32 LEU C C 32 176.995 176.995 175.599 1.396 18995 1332 1 5 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.512 2.388 18995 1333 1 5 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.291 0.009 18995 1334 1 5 . 1 1 32 32 LEU H H 32 8.936 8.936 9.062 -0.126 18995 1335 1 5 . 1 1 33 33 LYS N N 33 118.576 118.576 128.603 -10.027 18995 1336 1 5 . 1 1 33 33 LYS C C 33 176.714 176.714 174.867 1.847 18995 1337 1 5 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.557 5.943 18995 1338 1 5 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.765 -1.865 18995 1339 1 5 . 1 1 33 33 LYS H H 33 8.390 8.390 9.223 -0.833 18995 1340 1 5 . 1 1 34 34 GLU N N 34 116.152 116.152 128.031 -11.879 18995 1341 1 5 . 1 1 34 34 GLU C C 34 177.689 177.689 175.259 2.430 18995 1342 1 5 . 1 1 34 34 GLU CA C 34 59.400 59.400 55.907 3.493 18995 1343 1 5 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.993 -1.593 18995 1344 1 5 . 1 1 34 34 GLU H H 34 7.326 7.326 8.110 -0.784 18995 1345 1 5 . 1 1 35 35 LEU N N 35 123.632 123.632 127.048 -3.416 18995 1346 1 5 . 1 1 35 35 LEU C C 35 178.845 178.845 176.331 2.514 18995 1347 1 5 . 1 1 35 35 LEU CA C 35 59.800 59.800 52.771 7.029 18995 1348 1 5 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.392 -1.392 18995 1349 1 5 . 1 1 35 35 LEU H H 35 7.978 7.978 8.834 -0.856 18995 1350 1 5 . 1 1 36 36 ILE C C 36 178.328 178.328 175.675 2.653 18995 1351 1 5 . 1 1 36 36 ILE CA C 36 66.300 66.300 62.821 3.479 18995 1352 1 5 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.319 0.381 18995 1353 1 5 . 1 1 37 37 ASN N N 37 118.242 118.242 112.483 5.759 18995 1354 1 5 . 1 1 37 37 ASN C C 37 177.052 177.052 176.523 0.529 18995 1355 1 5 . 1 1 37 37 ASN CA C 37 54.800 54.800 52.992 1.808 18995 1356 1 5 . 1 1 37 37 ASN CB C 37 37.500 37.500 37.739 -0.239 18995 1357 1 5 . 1 1 37 37 ASN H H 37 8.336 8.336 8.334 0.002 18995 1358 1 5 . 1 1 38 38 ASN N N 38 114.845 114.845 118.601 -3.756 18995 1359 1 5 . 1 1 38 38 ASN C C 38 176.578 176.578 174.619 1.959 18995 1360 1 5 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.696 2.504 18995 1361 1 5 . 1 1 38 38 ASN H H 38 8.213 8.213 7.967 0.246 18995 1362 1 5 . 1 1 39 39 GLU N N 39 113.797 113.797 120.941 -7.144 18995 1363 1 5 . 1 1 39 39 GLU C C 39 177.689 177.689 174.549 3.140 18995 1364 1 5 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.524 -1.324 18995 1365 1 5 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.410 -0.110 18995 1366 1 5 . 1 1 39 39 GLU H H 39 8.522 8.522 8.659 -0.137 18995 1367 1 5 . 1 1 40 40 LEU N N 40 119.982 119.982 122.688 -2.706 18995 1368 1 5 . 1 1 40 40 LEU C C 40 177.212 177.212 175.690 1.522 18995 1369 1 5 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.498 0.602 18995 1370 1 5 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.371 -1.671 18995 1371 1 5 . 1 1 40 40 LEU H H 40 7.552 7.552 8.678 -1.126 18995 1372 1 5 . 1 1 41 41 SER N N 41 114.635 114.635 120.350 -5.715 18995 1373 1 5 . 1 1 41 41 SER C C 41 175.688 175.688 172.624 3.064 18995 1374 1 5 . 1 1 41 41 SER CA C 41 60.800 60.800 57.107 3.693 18995 1375 1 5 . 1 1 41 41 SER CB C 41 64.100 64.100 66.870 -2.770 18995 1376 1 5 . 1 1 41 41 SER H H 41 7.592 7.592 9.186 -1.594 18995 1377 1 5 . 1 1 42 42 HIS N N 42 122.397 122.397 115.642 6.755 18995 1378 1 5 . 1 1 42 42 HIS C C 42 175.523 175.523 172.607 2.916 18995 1379 1 5 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.236 3.465 18995 1380 1 5 . 1 1 42 42 HIS H H 42 10.406 10.406 8.235 2.171 18995 1381 1 5 . 1 1 43 43 PHE N N 43 117.618 117.618 121.479 -3.861 18995 1382 1 5 . 1 1 43 43 PHE C C 43 177.431 177.431 175.926 1.505 18995 1383 1 5 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.546 3.254 18995 1384 1 5 . 1 1 43 43 PHE H H 43 7.785 7.785 8.647 -0.862 18995 1385 1 5 . 1 1 44 44 LEU N N 44 120.185 120.185 125.892 -5.707 18995 1386 1 5 . 1 1 44 44 LEU C C 44 175.829 175.829 176.294 -0.465 18995 1387 1 5 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.081 -2.281 18995 1388 1 5 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.682 2.318 18995 1389 1 5 . 1 1 44 44 LEU H H 44 8.533 8.533 8.756 -0.223 18995 1390 1 5 . 1 1 45 45 GLU N N 45 121.499 121.499 120.743 0.756 18995 1391 1 5 . 1 1 45 45 GLU C C 45 175.060 175.060 177.358 -2.298 18995 1392 1 5 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.199 0.401 18995 1393 1 5 . 1 1 45 45 GLU CB C 45 30.600 30.600 29.092 1.508 18995 1394 1 5 . 1 1 45 45 GLU H H 45 8.130 8.130 8.473 -0.343 18995 1395 1 5 . 1 1 46 46 GLU N N 46 122.480 122.480 125.429 -2.949 18995 1396 1 5 . 1 1 46 46 GLU C C 46 176.861 176.861 176.068 0.793 18995 1397 1 5 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.697 -0.897 18995 1398 1 5 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.065 1.635 18995 1399 1 5 . 1 1 46 46 GLU H H 46 8.123 8.123 8.733 -0.610 18995 1400 1 5 . 1 1 47 47 ILE N N 47 127.680 127.680 118.743 8.937 18995 1401 1 5 . 1 1 47 47 ILE C C 47 175.931 175.931 176.084 -0.153 18995 1402 1 5 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.224 0.876 18995 1403 1 5 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.827 0.773 18995 1404 1 5 . 1 1 47 47 ILE H H 47 9.897 9.897 7.717 2.180 18995 1405 1 5 . 1 1 48 48 LYS N N 48 126.846 126.846 124.152 2.694 18995 1406 1 5 . 1 1 48 48 LYS C C 48 175.896 175.896 175.988 -0.092 18995 1407 1 5 . 1 1 48 48 LYS CA C 48 56.600 56.600 54.081 2.519 18995 1408 1 5 . 1 1 48 48 LYS CB C 48 34.700 34.700 33.992 0.708 18995 1409 1 5 . 1 1 48 48 LYS H H 48 9.077 9.077 7.439 1.638 18995 1410 1 5 . 1 1 49 49 GLU C C 49 179.470 179.470 176.694 2.776 18995 1411 1 5 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.217 -1.617 18995 1412 1 5 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.674 2.126 18995 1413 1 5 . 1 1 50 50 GLN N N 50 125.850 125.850 120.278 5.572 18995 1414 1 5 . 1 1 50 50 GLN C C 50 176.883 176.883 177.204 -0.321 18995 1415 1 5 . 1 1 50 50 GLN CA C 50 58.500 58.500 57.550 0.950 18995 1416 1 5 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.612 -0.212 18995 1417 1 5 . 1 1 50 50 GLN H H 50 9.041 9.041 8.789 0.252 18995 1418 1 5 . 1 1 51 51 GLU N N 51 117.404 117.404 113.012 4.392 18995 1419 1 5 . 1 1 51 51 GLU C C 51 178.262 178.262 175.405 2.857 18995 1420 1 5 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.871 3.829 18995 1421 1 5 . 1 1 51 51 GLU CB C 51 29.300 29.300 29.941 -0.641 18995 1422 1 5 . 1 1 51 51 GLU H H 51 9.352 9.352 7.382 1.970 18995 1423 1 5 . 1 1 52 52 VAL N N 52 118.888 118.888 122.231 -3.343 18995 1424 1 5 . 1 1 52 52 VAL C C 52 177.677 177.677 174.844 2.833 18995 1425 1 5 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.899 4.201 18995 1426 1 5 . 1 1 52 52 VAL CB C 52 31.700 31.700 31.064 0.636 18995 1427 1 5 . 1 1 52 52 VAL H H 52 7.247 7.247 7.201 0.046 18995 1428 1 5 . 1 1 53 53 VAL N N 53 119.906 119.906 123.448 -3.542 18995 1429 1 5 . 1 1 53 53 VAL C C 53 176.742 176.742 174.775 1.967 18995 1430 1 5 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.514 5.686 18995 1431 1 5 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.543 -2.943 18995 1432 1 5 . 1 1 53 53 VAL H H 53 7.264 7.264 8.890 -1.626 18995 1433 1 5 . 1 1 54 54 ASP N N 54 121.483 121.483 121.166 0.317 18995 1434 1 5 . 1 1 54 54 ASP C C 54 178.291 178.291 174.722 3.569 18995 1435 1 5 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.378 5.822 18995 1436 1 5 . 1 1 54 54 ASP CB C 54 40.000 40.000 43.259 -3.259 18995 1437 1 5 . 1 1 54 54 ASP H H 54 8.524 8.524 9.080 -0.556 18995 1438 1 5 . 1 1 55 55 LYS N N 55 120.875 120.875 128.327 -7.452 18995 1439 1 5 . 1 1 55 55 LYS C C 55 179.054 179.054 176.355 2.699 18995 1440 1 5 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.417 3.483 18995 1441 1 5 . 1 1 55 55 LYS CB C 55 32.200 32.200 32.369 -0.169 18995 1442 1 5 . 1 1 55 55 LYS H H 55 7.580 7.580 8.899 -1.319 18995 1443 1 5 . 1 1 56 56 VAL N N 56 121.960 121.960 124.141 -2.181 18995 1444 1 5 . 1 1 56 56 VAL C C 56 178.221 178.221 174.938 3.283 18995 1445 1 5 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.213 5.787 18995 1446 1 5 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.505 -1.805 18995 1447 1 5 . 1 1 56 56 VAL H H 56 8.279 8.279 8.814 -0.535 18995 1448 1 5 . 1 1 57 57 MET N N 57 118.815 118.815 126.327 -7.512 18995 1449 1 5 . 1 1 57 57 MET C C 57 176.888 176.888 175.283 1.605 18995 1450 1 5 . 1 1 57 57 MET CA C 57 57.900 57.900 54.400 3.500 18995 1451 1 5 . 1 1 57 57 MET CB C 57 32.900 32.900 32.791 0.109 18995 1452 1 5 . 1 1 57 57 MET H H 57 8.467 8.467 8.957 -0.490 18995 1453 1 5 . 1 1 58 58 GLU N N 58 117.894 117.894 125.859 -7.965 18995 1454 1 5 . 1 1 58 58 GLU C C 58 178.510 178.510 176.435 2.075 18995 1455 1 5 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.412 1.988 18995 1456 1 5 . 1 1 58 58 GLU CB C 58 29.800 29.800 30.615 -0.815 18995 1457 1 5 . 1 1 58 58 GLU H H 58 8.073 8.073 8.708 -0.635 18995 1458 1 5 . 1 1 59 59 THR N N 59 113.244 113.244 112.906 0.338 18995 1459 1 5 . 1 1 59 59 THR C C 59 174.778 174.778 172.937 1.841 18995 1460 1 5 . 1 1 59 59 THR CA C 59 65.600 65.600 59.840 5.760 18995 1461 1 5 . 1 1 59 59 THR CB C 59 69.600 69.600 70.625 -1.025 18995 1462 1 5 . 1 1 59 59 THR H H 59 7.739 7.739 7.433 0.306 18995 1463 1 5 . 1 1 60 60 LEU N N 60 119.636 119.636 123.525 -3.889 18995 1464 1 5 . 1 1 60 60 LEU C C 60 177.561 177.561 177.218 0.343 18995 1465 1 5 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.292 -0.692 18995 1466 1 5 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.010 2.291 18995 1467 1 5 . 1 1 60 60 LEU H H 60 7.643 7.643 8.624 -0.981 18995 1468 1 5 . 1 1 61 61 ASP N N 61 117.424 117.424 125.092 -7.668 18995 1469 1 5 . 1 1 61 61 ASP C C 61 175.915 175.915 174.382 1.533 18995 1470 1 5 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.731 0.869 18995 1471 1 5 . 1 1 61 61 ASP H H 61 7.984 7.984 8.556 -0.572 18995 1472 1 5 . 1 1 62 62 ASN N N 62 127.650 127.650 122.346 5.304 18995 1473 1 5 . 1 1 62 62 ASN C C 62 175.905 175.905 174.371 1.534 18995 1474 1 5 . 1 1 62 62 ASN CA C 62 54.900 54.900 52.887 2.013 18995 1475 1 5 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.075 1.325 18995 1476 1 5 . 1 1 62 62 ASN H H 62 9.032 9.032 7.925 1.107 18995 1477 1 5 . 1 1 63 63 ASP N N 63 116.676 116.676 123.462 -6.786 18995 1478 1 5 . 1 1 63 63 ASP C C 63 177.604 177.604 175.046 2.558 18995 1479 1 5 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.580 2.821 18995 1480 1 5 . 1 1 63 63 ASP CB C 63 40.200 40.200 45.137 -4.937 18995 1481 1 5 . 1 1 63 63 ASP H H 63 8.302 8.302 9.629 -1.327 18995 1482 1 5 . 1 1 64 64 GLY N N 64 109.334 109.334 109.670 -0.336 18995 1483 1 5 . 1 1 64 64 GLY C C 64 174.834 174.834 174.505 0.329 18995 1484 1 5 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.255 4.445 18995 1485 1 5 . 1 1 64 64 GLY H H 64 7.681 7.681 9.059 -1.378 18995 1486 1 5 . 1 1 65 65 ASP N N 65 120.960 120.960 125.371 -4.411 18995 1487 1 5 . 1 1 65 65 ASP C C 65 177.010 177.010 174.593 2.417 18995 1488 1 5 . 1 1 65 65 ASP CA C 65 53.800 53.800 53.808 -0.008 18995 1489 1 5 . 1 1 65 65 ASP CB C 65 40.300 40.300 41.249 -0.949 18995 1490 1 5 . 1 1 65 65 ASP H H 65 8.386 8.386 9.160 -0.774 18995 1491 1 5 . 1 1 66 66 GLY N N 66 113.875 113.875 117.204 -3.329 18995 1492 1 5 . 1 1 66 66 GLY C C 66 172.343 172.343 174.204 -1.861 18995 1493 1 5 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.790 3.110 18995 1494 1 5 . 1 1 66 66 GLY H H 66 10.212 10.212 8.832 1.380 18995 1495 1 5 . 1 1 67 67 GLU N N 67 118.701 118.701 125.607 -6.906 18995 1496 1 5 . 1 1 67 67 GLU C C 67 174.711 174.711 176.183 -1.472 18995 1497 1 5 . 1 1 67 67 GLU CA C 67 55.200 55.200 56.028 -0.827 18995 1498 1 5 . 1 1 67 67 GLU H H 67 7.949 7.949 8.963 -1.014 18995 1499 1 5 . 1 1 68 68 CYS N N 68 124.753 124.753 126.492 -1.739 18995 1500 1 5 . 1 1 68 68 CYS C C 68 174.411 174.411 176.115 -1.704 18995 1501 1 5 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.012 -5.012 18995 1502 1 5 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.926 0.174 18995 1503 1 5 . 1 1 68 68 CYS H H 68 9.486 9.486 8.442 1.044 18995 1504 1 5 . 1 1 69 69 ASP N N 69 132.376 132.376 116.704 15.672 18995 1505 1 5 . 1 1 69 69 ASP C C 69 175.307 175.307 175.968 -0.661 18995 1506 1 5 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.412 -1.112 18995 1507 1 5 . 1 1 69 69 ASP CB C 69 40.600 40.600 40.869 -0.269 18995 1508 1 5 . 1 1 69 69 ASP H H 69 9.911 9.911 8.452 1.459 18995 1509 1 5 . 1 1 70 70 PHE N N 70 119.131 119.131 120.395 -1.264 18995 1510 1 5 . 1 1 70 70 PHE C C 70 176.482 176.482 175.150 1.332 18995 1511 1 5 . 1 1 70 70 PHE CA C 70 62.900 62.900 58.019 4.881 18995 1512 1 5 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.910 -1.810 18995 1513 1 5 . 1 1 70 70 PHE H H 70 9.075 9.075 7.398 1.677 18995 1514 1 5 . 1 1 71 71 GLN N N 71 119.323 119.323 118.050 1.273 18995 1515 1 5 . 1 1 71 71 GLN C C 71 179.517 179.517 173.887 5.630 18995 1516 1 5 . 1 1 71 71 GLN CA C 71 60.100 60.100 56.971 3.128 18995 1517 1 5 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.617 0.583 18995 1518 1 5 . 1 1 71 71 GLN H H 71 8.047 8.047 8.396 -0.349 18995 1519 1 5 . 1 1 72 72 GLU N N 72 123.228 123.228 115.683 7.545 18995 1520 1 5 . 1 1 72 72 GLU C C 72 179.337 179.337 175.010 4.327 18995 1521 1 5 . 1 1 72 72 GLU CA C 72 58.900 58.900 54.955 3.945 18995 1522 1 5 . 1 1 72 72 GLU CB C 72 30.300 30.300 33.222 -2.922 18995 1523 1 5 . 1 1 72 72 GLU H H 72 9.061 9.061 7.224 1.837 18995 1524 1 5 . 1 1 73 73 PHE N N 73 123.155 123.155 118.954 4.201 18995 1525 1 5 . 1 1 73 73 PHE C C 73 176.497 176.497 175.600 0.897 18995 1526 1 5 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.196 3.604 18995 1527 1 5 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.445 -0.745 18995 1528 1 5 . 1 1 73 73 PHE H H 73 8.863 8.863 9.362 -0.499 18995 1529 1 5 . 1 1 74 74 MET N N 74 119.622 119.622 123.073 -3.451 18995 1530 1 5 . 1 1 74 74 MET C C 74 178.476 178.476 174.771 3.705 18995 1531 1 5 . 1 1 74 74 MET CA C 74 56.200 56.200 55.765 0.435 18995 1532 1 5 . 1 1 74 74 MET CB C 74 30.400 30.400 33.591 -3.191 18995 1533 1 5 . 1 1 74 74 MET H H 74 8.217 8.217 8.973 -0.756 18995 1534 1 5 . 1 1 75 75 ALA N N 75 123.073 123.073 128.210 -5.137 18995 1535 1 5 . 1 1 75 75 ALA C C 75 180.129 180.129 175.105 5.024 18995 1536 1 5 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.556 4.644 18995 1537 1 5 . 1 1 75 75 ALA H H 75 7.490 7.490 9.241 -1.751 18995 1538 1 5 . 1 1 76 76 PHE N N 76 122.171 122.171 122.227 -0.056 18995 1539 1 5 . 1 1 76 76 PHE C C 76 176.365 176.365 174.843 1.522 18995 1540 1 5 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.315 2.485 18995 1541 1 5 . 1 1 76 76 PHE CB C 76 38.600 38.600 42.757 -4.157 18995 1542 1 5 . 1 1 76 76 PHE H H 76 7.676 7.676 8.294 -0.618 18995 1543 1 5 . 1 1 77 77 VAL N N 77 119.765 119.765 123.545 -3.780 18995 1544 1 5 . 1 1 77 77 VAL C C 77 179.175 179.175 177.784 1.391 18995 1545 1 5 . 1 1 77 77 VAL CA C 77 66.800 66.800 59.846 6.954 18995 1546 1 5 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.636 -1.436 18995 1547 1 5 . 1 1 77 77 VAL H H 77 8.498 8.498 8.622 -0.124 18995 1548 1 5 . 1 1 78 78 ALA N N 78 123.880 123.880 122.438 1.442 18995 1549 1 5 . 1 1 78 78 ALA C C 78 178.630 178.630 177.428 1.202 18995 1550 1 5 . 1 1 78 78 ALA CA C 78 56.100 56.100 55.200 0.900 18995 1551 1 5 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.760 -0.460 18995 1552 1 5 . 1 1 78 78 ALA H H 78 8.193 8.193 8.760 -0.567 18995 1553 1 5 . 1 1 79 79 MET N N 79 120.537 120.537 114.533 6.004 18995 1554 1 5 . 1 1 79 79 MET C C 79 178.430 178.430 176.767 1.663 18995 1555 1 5 . 1 1 79 79 MET CA C 79 59.500 59.500 54.601 4.899 18995 1556 1 5 . 1 1 79 79 MET CB C 79 32.800 32.800 31.908 0.892 18995 1557 1 5 . 1 1 79 79 MET H H 79 7.883 7.883 7.726 0.157 18995 1558 1 5 . 1 1 80 80 VAL N N 80 120.374 120.374 120.071 0.303 18995 1559 1 5 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.952 4.248 18995 1560 1 5 . 1 1 80 80 VAL H H 80 8.299 8.299 8.007 0.292 18995 1561 1 5 . 1 1 82 82 THR C C 82 175.144 175.144 172.720 2.424 18995 1562 1 5 . 1 1 82 82 THR CA C 82 65.800 65.800 61.088 4.712 18995 1563 1 5 . 1 1 83 83 ALA N N 83 123.244 123.244 123.021 0.223 18995 1564 1 5 . 1 1 83 83 ALA C C 83 178.574 178.574 175.096 3.478 18995 1565 1 5 . 1 1 83 83 ALA CA C 83 53.900 53.900 50.239 3.662 18995 1566 1 5 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.899 -2.899 18995 1567 1 5 . 1 1 83 83 ALA H H 83 7.587 7.587 8.783 -1.196 18995 1568 1 5 . 1 1 84 84 CYS N N 84 116.910 116.910 116.799 0.111 18995 1569 1 5 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.367 2.433 18995 1570 1 5 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.705 -1.805 18995 1571 1 5 . 1 1 84 84 CYS H H 84 7.788 7.788 8.610 -0.822 18995 1572 1 5 . 1 1 86 86 GLU CA C 86 58.600 58.600 57.655 0.945 18995 1573 1 5 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.265 -0.865 18995 1574 1 5 . 1 1 87 87 PHE N N 87 118.550 118.550 119.576 -1.026 18995 1575 1 5 . 1 1 87 87 PHE C C 87 175.597 175.597 174.649 0.948 18995 1576 1 5 . 1 1 87 87 PHE CA C 87 59.100 59.100 57.540 1.560 18995 1577 1 5 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.335 -0.935 18995 1578 1 5 . 1 1 87 87 PHE H H 87 7.838 7.838 7.720 0.118 18995 1579 1 5 . 1 1 88 88 PHE N N 88 118.438 118.438 125.067 -6.629 18995 1580 1 5 . 1 1 88 88 PHE C C 88 175.241 175.241 176.110 -0.869 18995 1581 1 5 . 1 1 88 88 PHE CA C 88 58.200 58.200 57.788 0.412 18995 1582 1 5 . 1 1 88 88 PHE CB C 88 39.700 39.700 37.818 1.882 18995 1583 1 5 . 1 1 88 88 PHE H H 88 7.718 7.718 8.469 -0.751 18995 1584 1 5 . 1 1 89 89 GLU N N 89 121.366 121.366 126.609 -5.243 18995 1585 1 5 . 1 1 89 89 GLU C C 89 175.437 175.437 177.217 -1.780 18995 1586 1 5 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.331 2.269 18995 1587 1 5 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.346 -1.046 18995 1588 1 5 . 1 1 89 89 GLU H H 89 7.959 7.959 8.075 -0.116 18995 1589 1 5 . 1 1 90 90 HIS N N 90 120.349 120.349 115.980 4.369 18995 1590 1 5 . 1 1 90 90 HIS C C 90 173.652 173.652 175.457 -1.805 18995 1591 1 5 . 1 1 90 90 HIS CA C 90 55.800 55.800 57.869 -2.069 18995 1592 1 5 . 1 1 90 90 HIS CB C 90 30.100 30.100 29.189 0.911 18995 1593 1 5 . 1 1 90 90 HIS H H 90 8.116 8.116 8.686 -0.570 18995 1594 1 5 . 1 1 91 91 GLU N N 91 127.965 127.965 117.558 10.407 18995 1595 1 5 . 1 1 91 91 GLU H H 91 8.235 8.235 7.559 0.676 18995 1596 1 6 . 1 1 20 20 ARG C C 20 177.097 177.097 174.777 2.320 18995 1597 1 6 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.598 4.502 18995 1598 1 6 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.921 0.079 18995 1599 1 6 . 1 1 21 21 GLU N N 21 116.519 116.519 121.018 -4.499 18995 1600 1 6 . 1 1 21 21 GLU C C 21 175.055 175.055 176.076 -1.021 18995 1601 1 6 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.821 0.779 18995 1602 1 6 . 1 1 21 21 GLU CB C 21 35.700 35.700 33.262 2.438 18995 1603 1 6 . 1 1 21 21 GLU H H 21 9.468 9.468 9.009 0.459 18995 1604 1 6 . 1 1 22 22 GLY N N 22 122.197 122.197 113.150 9.047 18995 1605 1 6 . 1 1 22 22 GLY C C 22 180.081 180.081 174.010 6.071 18995 1606 1 6 . 1 1 22 22 GLY H H 22 10.096 10.096 9.265 0.831 18995 1607 1 6 . 1 1 23 23 ASP N N 23 113.764 113.764 126.345 -12.581 18995 1608 1 6 . 1 1 23 23 ASP C C 23 178.957 178.957 175.308 3.649 18995 1609 1 6 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.561 1.939 18995 1610 1 6 . 1 1 23 23 ASP H H 23 8.115 8.115 9.285 -1.170 18995 1611 1 6 . 1 1 24 24 LYS N N 24 131.954 131.954 128.073 3.881 18995 1612 1 6 . 1 1 24 24 LYS C C 24 176.539 176.539 175.287 1.252 18995 1613 1 6 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.071 3.129 18995 1614 1 6 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.670 -1.970 18995 1615 1 6 . 1 1 24 24 LYS H H 24 9.484 9.484 9.268 0.216 18995 1616 1 6 . 1 1 25 25 HIS N N 25 119.313 119.313 128.080 -8.767 18995 1617 1 6 . 1 1 25 25 HIS C C 25 172.815 172.815 174.369 -1.554 18995 1618 1 6 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.698 0.802 18995 1619 1 6 . 1 1 25 25 HIS CB C 25 30.800 30.800 32.206 -1.406 18995 1620 1 6 . 1 1 25 25 HIS H H 25 9.589 9.589 8.899 0.690 18995 1621 1 6 . 1 1 26 26 LYS N N 26 115.394 115.394 125.989 -10.595 18995 1622 1 6 . 1 1 26 26 LYS C C 26 174.608 174.608 175.144 -0.536 18995 1623 1 6 . 1 1 26 26 LYS CA C 26 55.400 55.400 55.884 -0.484 18995 1624 1 6 . 1 1 26 26 LYS CB C 26 39.100 39.100 31.897 7.203 18995 1625 1 6 . 1 1 26 26 LYS H H 26 7.095 7.095 8.265 -1.170 18995 1626 1 6 . 1 1 27 27 LEU N N 27 126.263 126.263 120.781 5.482 18995 1627 1 6 . 1 1 27 27 LEU C C 27 175.637 175.637 176.221 -0.584 18995 1628 1 6 . 1 1 27 27 LEU CA C 27 52.800 52.800 53.717 -0.917 18995 1629 1 6 . 1 1 27 27 LEU CB C 27 43.700 43.700 41.717 1.983 18995 1630 1 6 . 1 1 27 27 LEU H H 27 9.595 9.595 6.968 2.627 18995 1631 1 6 . 1 1 28 28 LYS N N 28 124.436 124.436 123.526 0.910 18995 1632 1 6 . 1 1 28 28 LYS C C 28 177.395 177.395 175.876 1.519 18995 1633 1 6 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.217 -1.017 18995 1634 1 6 . 1 1 28 28 LYS H H 28 9.711 9.711 8.224 1.487 18995 1635 1 6 . 1 1 29 29 LYS N N 29 121.980 121.980 119.349 2.631 18995 1636 1 6 . 1 1 29 29 LYS C C 29 177.400 177.400 174.593 2.807 18995 1637 1 6 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.772 6.928 18995 1638 1 6 . 1 1 29 29 LYS H H 29 9.084 9.084 7.321 1.763 18995 1639 1 6 . 1 1 30 30 SER N N 30 111.519 111.519 112.883 -1.364 18995 1640 1 6 . 1 1 30 30 SER C C 30 176.950 176.950 172.916 4.034 18995 1641 1 6 . 1 1 30 30 SER CA C 30 61.100 61.100 56.158 4.942 18995 1642 1 6 . 1 1 30 30 SER CB C 30 61.300 61.300 65.815 -4.515 18995 1643 1 6 . 1 1 30 30 SER H H 30 8.267 8.267 7.004 1.263 18995 1644 1 6 . 1 1 31 31 GLU N N 31 123.792 123.792 119.688 4.104 18995 1645 1 6 . 1 1 31 31 GLU C C 31 179.463 179.463 176.869 2.594 18995 1646 1 6 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.314 4.786 18995 1647 1 6 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.403 -2.203 18995 1648 1 6 . 1 1 31 31 GLU H H 31 6.603 6.603 9.547 -2.944 18995 1649 1 6 . 1 1 32 32 LEU N N 32 121.954 121.954 124.888 -2.934 18995 1650 1 6 . 1 1 32 32 LEU C C 32 176.995 176.995 175.709 1.286 18995 1651 1 6 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.310 2.590 18995 1652 1 6 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.100 0.200 18995 1653 1 6 . 1 1 32 32 LEU H H 32 8.936 8.936 9.006 -0.070 18995 1654 1 6 . 1 1 33 33 LYS N N 33 118.576 118.576 128.630 -10.054 18995 1655 1 6 . 1 1 33 33 LYS C C 33 176.714 176.714 175.151 1.563 18995 1656 1 6 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.926 5.574 18995 1657 1 6 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.163 -1.263 18995 1658 1 6 . 1 1 33 33 LYS H H 33 8.390 8.390 9.183 -0.793 18995 1659 1 6 . 1 1 34 34 GLU N N 34 116.152 116.152 128.012 -11.860 18995 1660 1 6 . 1 1 34 34 GLU C C 34 177.689 177.689 175.451 2.238 18995 1661 1 6 . 1 1 34 34 GLU CA C 34 59.400 59.400 56.052 3.348 18995 1662 1 6 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.817 -1.417 18995 1663 1 6 . 1 1 34 34 GLU H H 34 7.326 7.326 8.243 -0.917 18995 1664 1 6 . 1 1 35 35 LEU N N 35 123.632 123.632 126.855 -3.223 18995 1665 1 6 . 1 1 35 35 LEU C C 35 178.845 178.845 176.410 2.435 18995 1666 1 6 . 1 1 35 35 LEU CA C 35 59.800 59.800 51.642 8.158 18995 1667 1 6 . 1 1 35 35 LEU CB C 35 42.000 42.000 42.974 -0.974 18995 1668 1 6 . 1 1 35 35 LEU H H 35 7.978 7.978 8.689 -0.711 18995 1669 1 6 . 1 1 36 36 ILE C C 36 178.328 178.328 176.007 2.321 18995 1670 1 6 . 1 1 36 36 ILE CA C 36 66.300 66.300 62.739 3.561 18995 1671 1 6 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.334 0.366 18995 1672 1 6 . 1 1 37 37 ASN N N 37 118.242 118.242 113.324 4.918 18995 1673 1 6 . 1 1 37 37 ASN C C 37 177.052 177.052 176.744 0.308 18995 1674 1 6 . 1 1 37 37 ASN CA C 37 54.800 54.800 53.145 1.655 18995 1675 1 6 . 1 1 37 37 ASN CB C 37 37.500 37.500 37.868 -0.368 18995 1676 1 6 . 1 1 37 37 ASN H H 37 8.336 8.336 8.471 -0.135 18995 1677 1 6 . 1 1 38 38 ASN N N 38 114.845 114.845 119.181 -4.336 18995 1678 1 6 . 1 1 38 38 ASN C C 38 176.578 176.578 174.547 2.031 18995 1679 1 6 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.867 2.333 18995 1680 1 6 . 1 1 38 38 ASN H H 38 8.213 8.213 7.955 0.258 18995 1681 1 6 . 1 1 39 39 GLU N N 39 113.797 113.797 120.791 -6.994 18995 1682 1 6 . 1 1 39 39 GLU C C 39 177.689 177.689 174.251 3.438 18995 1683 1 6 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.320 -1.120 18995 1684 1 6 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.374 -0.074 18995 1685 1 6 . 1 1 39 39 GLU H H 39 8.522 8.522 8.477 0.045 18995 1686 1 6 . 1 1 40 40 LEU N N 40 119.982 119.982 121.992 -2.010 18995 1687 1 6 . 1 1 40 40 LEU C C 40 177.212 177.212 175.450 1.762 18995 1688 1 6 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.049 1.051 18995 1689 1 6 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.336 -1.636 18995 1690 1 6 . 1 1 40 40 LEU H H 40 7.552 7.552 8.425 -0.873 18995 1691 1 6 . 1 1 41 41 SER N N 41 114.635 114.635 119.383 -4.748 18995 1692 1 6 . 1 1 41 41 SER C C 41 175.688 175.688 172.642 3.046 18995 1693 1 6 . 1 1 41 41 SER CA C 41 60.800 60.800 57.031 3.769 18995 1694 1 6 . 1 1 41 41 SER CB C 41 64.100 64.100 66.936 -2.836 18995 1695 1 6 . 1 1 41 41 SER H H 41 7.592 7.592 8.967 -1.375 18995 1696 1 6 . 1 1 42 42 HIS N N 42 122.397 122.397 115.921 6.476 18995 1697 1 6 . 1 1 42 42 HIS C C 42 175.523 175.523 172.914 2.609 18995 1698 1 6 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.307 3.393 18995 1699 1 6 . 1 1 42 42 HIS H H 42 10.406 10.406 8.361 2.045 18995 1700 1 6 . 1 1 43 43 PHE N N 43 117.618 117.618 123.292 -5.674 18995 1701 1 6 . 1 1 43 43 PHE C C 43 177.431 177.431 175.958 1.473 18995 1702 1 6 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.536 3.264 18995 1703 1 6 . 1 1 43 43 PHE H H 43 7.785 7.785 8.426 -0.641 18995 1704 1 6 . 1 1 44 44 LEU N N 44 120.185 120.185 125.666 -5.481 18995 1705 1 6 . 1 1 44 44 LEU C C 44 175.829 175.829 176.269 -0.440 18995 1706 1 6 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.427 -2.627 18995 1707 1 6 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.763 2.237 18995 1708 1 6 . 1 1 44 44 LEU H H 44 8.533 8.533 8.835 -0.302 18995 1709 1 6 . 1 1 45 45 GLU N N 45 121.499 121.499 118.934 2.565 18995 1710 1 6 . 1 1 45 45 GLU C C 45 175.060 175.060 177.467 -2.407 18995 1711 1 6 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.790 -0.190 18995 1712 1 6 . 1 1 45 45 GLU CB C 45 30.600 30.600 28.170 2.430 18995 1713 1 6 . 1 1 45 45 GLU H H 45 8.130 8.130 8.235 -0.105 18995 1714 1 6 . 1 1 46 46 GLU N N 46 122.480 122.480 125.149 -2.669 18995 1715 1 6 . 1 1 46 46 GLU C C 46 176.861 176.861 176.206 0.655 18995 1716 1 6 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.617 -0.817 18995 1717 1 6 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.233 1.467 18995 1718 1 6 . 1 1 46 46 GLU H H 46 8.123 8.123 8.367 -0.244 18995 1719 1 6 . 1 1 47 47 ILE N N 47 127.680 127.680 118.325 9.355 18995 1720 1 6 . 1 1 47 47 ILE C C 47 175.931 175.931 175.599 0.332 18995 1721 1 6 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.073 1.027 18995 1722 1 6 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.846 0.754 18995 1723 1 6 . 1 1 47 47 ILE H H 47 9.897 9.897 7.720 2.177 18995 1724 1 6 . 1 1 48 48 LYS N N 48 126.846 126.846 124.449 2.397 18995 1725 1 6 . 1 1 48 48 LYS C C 48 175.896 175.896 175.966 -0.070 18995 1726 1 6 . 1 1 48 48 LYS CA C 48 56.600 56.600 53.965 2.635 18995 1727 1 6 . 1 1 48 48 LYS CB C 48 34.700 34.700 34.403 0.297 18995 1728 1 6 . 1 1 48 48 LYS H H 48 9.077 9.077 7.448 1.629 18995 1729 1 6 . 1 1 49 49 GLU C C 49 179.470 179.470 176.779 2.691 18995 1730 1 6 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.458 -1.857 18995 1731 1 6 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.648 2.152 18995 1732 1 6 . 1 1 50 50 GLN N N 50 125.850 125.850 119.001 6.849 18995 1733 1 6 . 1 1 50 50 GLN C C 50 176.883 176.883 176.878 0.005 18995 1734 1 6 . 1 1 50 50 GLN CA C 50 58.500 58.500 58.720 -0.220 18995 1735 1 6 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.844 -0.444 18995 1736 1 6 . 1 1 50 50 GLN H H 50 9.041 9.041 8.835 0.206 18995 1737 1 6 . 1 1 51 51 GLU N N 51 117.404 117.404 112.253 5.151 18995 1738 1 6 . 1 1 51 51 GLU C C 51 178.262 178.262 175.665 2.597 18995 1739 1 6 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.650 4.050 18995 1740 1 6 . 1 1 51 51 GLU CB C 51 29.300 29.300 29.944 -0.644 18995 1741 1 6 . 1 1 51 51 GLU H H 51 9.352 9.352 7.476 1.876 18995 1742 1 6 . 1 1 52 52 VAL N N 52 118.888 118.888 122.713 -3.825 18995 1743 1 6 . 1 1 52 52 VAL C C 52 177.677 177.677 174.623 3.054 18995 1744 1 6 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.573 4.527 18995 1745 1 6 . 1 1 52 52 VAL CB C 52 31.700 31.700 31.028 0.672 18995 1746 1 6 . 1 1 52 52 VAL H H 52 7.247 7.247 7.318 -0.071 18995 1747 1 6 . 1 1 53 53 VAL N N 53 119.906 119.906 123.535 -3.629 18995 1748 1 6 . 1 1 53 53 VAL C C 53 176.742 176.742 175.107 1.635 18995 1749 1 6 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.763 5.437 18995 1750 1 6 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.264 -2.664 18995 1751 1 6 . 1 1 53 53 VAL H H 53 7.264 7.264 8.067 -0.803 18995 1752 1 6 . 1 1 54 54 ASP N N 54 121.483 121.483 120.846 0.637 18995 1753 1 6 . 1 1 54 54 ASP C C 54 178.291 178.291 174.555 3.736 18995 1754 1 6 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.278 5.922 18995 1755 1 6 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.080 -4.080 18995 1756 1 6 . 1 1 54 54 ASP H H 54 8.524 8.524 9.073 -0.549 18995 1757 1 6 . 1 1 55 55 LYS N N 55 120.875 120.875 127.941 -7.066 18995 1758 1 6 . 1 1 55 55 LYS C C 55 179.054 179.054 176.216 2.838 18995 1759 1 6 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.461 3.439 18995 1760 1 6 . 1 1 55 55 LYS CB C 55 32.200 32.200 32.111 0.089 18995 1761 1 6 . 1 1 55 55 LYS H H 55 7.580 7.580 8.899 -1.319 18995 1762 1 6 . 1 1 56 56 VAL N N 56 121.960 121.960 123.646 -1.686 18995 1763 1 6 . 1 1 56 56 VAL C C 56 178.221 178.221 175.235 2.986 18995 1764 1 6 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.378 5.622 18995 1765 1 6 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.469 -1.769 18995 1766 1 6 . 1 1 56 56 VAL H H 56 8.279 8.279 8.557 -0.278 18995 1767 1 6 . 1 1 57 57 MET N N 57 118.815 118.815 126.770 -7.955 18995 1768 1 6 . 1 1 57 57 MET C C 57 176.888 176.888 175.334 1.554 18995 1769 1 6 . 1 1 57 57 MET CA C 57 57.900 57.900 54.959 2.941 18995 1770 1 6 . 1 1 57 57 MET CB C 57 32.900 32.900 33.002 -0.102 18995 1771 1 6 . 1 1 57 57 MET H H 57 8.467 8.467 8.984 -0.517 18995 1772 1 6 . 1 1 58 58 GLU N N 58 117.894 117.894 125.349 -7.455 18995 1773 1 6 . 1 1 58 58 GLU C C 58 178.510 178.510 176.389 2.121 18995 1774 1 6 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.148 2.252 18995 1775 1 6 . 1 1 58 58 GLU CB C 58 29.800 29.800 31.166 -1.366 18995 1776 1 6 . 1 1 58 58 GLU H H 58 8.073 8.073 8.896 -0.823 18995 1777 1 6 . 1 1 59 59 THR N N 59 113.244 113.244 112.955 0.289 18995 1778 1 6 . 1 1 59 59 THR C C 59 174.778 174.778 172.726 2.052 18995 1779 1 6 . 1 1 59 59 THR CA C 59 65.600 65.600 60.026 5.574 18995 1780 1 6 . 1 1 59 59 THR CB C 59 69.600 69.600 71.374 -1.774 18995 1781 1 6 . 1 1 59 59 THR H H 59 7.739 7.739 7.549 0.190 18995 1782 1 6 . 1 1 60 60 LEU N N 60 119.636 119.636 123.339 -3.703 18995 1783 1 6 . 1 1 60 60 LEU C C 60 177.561 177.561 177.278 0.283 18995 1784 1 6 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.479 -0.879 18995 1785 1 6 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.033 2.267 18995 1786 1 6 . 1 1 60 60 LEU H H 60 7.643 7.643 8.682 -1.039 18995 1787 1 6 . 1 1 61 61 ASP N N 61 117.424 117.424 124.794 -7.370 18995 1788 1 6 . 1 1 61 61 ASP C C 61 175.915 175.915 174.621 1.294 18995 1789 1 6 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.849 0.751 18995 1790 1 6 . 1 1 61 61 ASP H H 61 7.984 7.984 8.605 -0.621 18995 1791 1 6 . 1 1 62 62 ASN N N 62 127.650 127.650 121.933 5.717 18995 1792 1 6 . 1 1 62 62 ASN C C 62 175.905 175.905 174.465 1.440 18995 1793 1 6 . 1 1 62 62 ASN CA C 62 54.900 54.900 52.745 2.155 18995 1794 1 6 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.796 0.604 18995 1795 1 6 . 1 1 62 62 ASN H H 62 9.032 9.032 8.101 0.931 18995 1796 1 6 . 1 1 63 63 ASP N N 63 116.676 116.676 122.841 -6.165 18995 1797 1 6 . 1 1 63 63 ASP C C 63 177.604 177.604 174.991 2.613 18995 1798 1 6 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.909 2.491 18995 1799 1 6 . 1 1 63 63 ASP CB C 63 40.200 40.200 44.940 -4.739 18995 1800 1 6 . 1 1 63 63 ASP H H 63 8.302 8.302 9.675 -1.373 18995 1801 1 6 . 1 1 64 64 GLY N N 64 109.334 109.334 111.569 -2.235 18995 1802 1 6 . 1 1 64 64 GLY C C 64 174.834 174.834 174.647 0.187 18995 1803 1 6 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.698 4.002 18995 1804 1 6 . 1 1 64 64 GLY H H 64 7.681 7.681 9.233 -1.552 18995 1805 1 6 . 1 1 65 65 ASP N N 65 120.960 120.960 127.473 -6.513 18995 1806 1 6 . 1 1 65 65 ASP C C 65 177.010 177.010 174.603 2.407 18995 1807 1 6 . 1 1 65 65 ASP CA C 65 53.800 53.800 53.998 -0.198 18995 1808 1 6 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.732 -0.432 18995 1809 1 6 . 1 1 65 65 ASP H H 65 8.386 8.386 9.252 -0.866 18995 1810 1 6 . 1 1 66 66 GLY N N 66 113.875 113.875 117.271 -3.396 18995 1811 1 6 . 1 1 66 66 GLY C C 66 172.343 172.343 174.029 -1.686 18995 1812 1 6 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.655 3.245 18995 1813 1 6 . 1 1 66 66 GLY H H 66 10.212 10.212 8.804 1.408 18995 1814 1 6 . 1 1 67 67 GLU N N 67 118.701 118.701 125.150 -6.449 18995 1815 1 6 . 1 1 67 67 GLU C C 67 174.711 174.711 176.229 -1.518 18995 1816 1 6 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.724 -0.524 18995 1817 1 6 . 1 1 67 67 GLU H H 67 7.949 7.949 8.807 -0.858 18995 1818 1 6 . 1 1 68 68 CYS N N 68 124.753 124.753 126.688 -1.935 18995 1819 1 6 . 1 1 68 68 CYS C C 68 174.411 174.411 176.708 -2.297 18995 1820 1 6 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.868 -5.869 18995 1821 1 6 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.918 0.183 18995 1822 1 6 . 1 1 68 68 CYS H H 68 9.486 9.486 8.952 0.534 18995 1823 1 6 . 1 1 69 69 ASP N N 69 132.376 132.376 119.796 12.580 18995 1824 1 6 . 1 1 69 69 ASP C C 69 175.307 175.307 174.721 0.586 18995 1825 1 6 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.334 -1.034 18995 1826 1 6 . 1 1 69 69 ASP CB C 69 40.600 40.600 39.273 1.327 18995 1827 1 6 . 1 1 69 69 ASP H H 69 9.911 9.911 8.512 1.399 18995 1828 1 6 . 1 1 70 70 PHE N N 70 119.131 119.131 119.949 -0.818 18995 1829 1 6 . 1 1 70 70 PHE C C 70 176.482 176.482 174.672 1.810 18995 1830 1 6 . 1 1 70 70 PHE CA C 70 62.900 62.900 58.474 4.426 18995 1831 1 6 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.454 -1.354 18995 1832 1 6 . 1 1 70 70 PHE H H 70 9.075 9.075 8.170 0.905 18995 1833 1 6 . 1 1 71 71 GLN N N 71 119.323 119.323 119.211 0.112 18995 1834 1 6 . 1 1 71 71 GLN C C 71 179.517 179.517 173.832 5.685 18995 1835 1 6 . 1 1 71 71 GLN CA C 71 60.100 60.100 56.895 3.205 18995 1836 1 6 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.342 0.858 18995 1837 1 6 . 1 1 71 71 GLN H H 71 8.047 8.047 8.409 -0.362 18995 1838 1 6 . 1 1 72 72 GLU N N 72 123.228 123.228 115.807 7.421 18995 1839 1 6 . 1 1 72 72 GLU C C 72 179.337 179.337 174.921 4.416 18995 1840 1 6 . 1 1 72 72 GLU CA C 72 58.900 58.900 55.047 3.853 18995 1841 1 6 . 1 1 72 72 GLU CB C 72 30.300 30.300 33.647 -3.347 18995 1842 1 6 . 1 1 72 72 GLU H H 72 9.061 9.061 7.274 1.787 18995 1843 1 6 . 1 1 73 73 PHE N N 73 123.155 123.155 119.746 3.409 18995 1844 1 6 . 1 1 73 73 PHE C C 73 176.497 176.497 175.502 0.995 18995 1845 1 6 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.657 3.143 18995 1846 1 6 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.564 -0.864 18995 1847 1 6 . 1 1 73 73 PHE H H 73 8.863 8.863 9.352 -0.489 18995 1848 1 6 . 1 1 74 74 MET N N 74 119.622 119.622 123.186 -3.564 18995 1849 1 6 . 1 1 74 74 MET C C 74 178.476 178.476 174.715 3.761 18995 1850 1 6 . 1 1 74 74 MET CA C 74 56.200 56.200 55.806 0.394 18995 1851 1 6 . 1 1 74 74 MET CB C 74 30.400 30.400 33.623 -3.223 18995 1852 1 6 . 1 1 74 74 MET H H 74 8.217 8.217 9.092 -0.875 18995 1853 1 6 . 1 1 75 75 ALA N N 75 123.073 123.073 128.436 -5.363 18995 1854 1 6 . 1 1 75 75 ALA C C 75 180.129 180.129 175.174 4.955 18995 1855 1 6 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.372 4.828 18995 1856 1 6 . 1 1 75 75 ALA H H 75 7.490 7.490 9.329 -1.839 18995 1857 1 6 . 1 1 76 76 PHE N N 76 122.171 122.171 122.602 -0.431 18995 1858 1 6 . 1 1 76 76 PHE C C 76 176.365 176.365 175.078 1.287 18995 1859 1 6 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.238 2.562 18995 1860 1 6 . 1 1 76 76 PHE CB C 76 38.600 38.600 42.782 -4.182 18995 1861 1 6 . 1 1 76 76 PHE H H 76 7.676 7.676 8.224 -0.548 18995 1862 1 6 . 1 1 77 77 VAL N N 77 119.765 119.765 124.359 -4.594 18995 1863 1 6 . 1 1 77 77 VAL C C 77 179.175 179.175 177.639 1.536 18995 1864 1 6 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.672 6.128 18995 1865 1 6 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.210 -1.010 18995 1866 1 6 . 1 1 77 77 VAL H H 77 8.498 8.498 8.617 -0.119 18995 1867 1 6 . 1 1 78 78 ALA N N 78 123.880 123.880 122.256 1.624 18995 1868 1 6 . 1 1 78 78 ALA C C 78 178.630 178.630 177.703 0.927 18995 1869 1 6 . 1 1 78 78 ALA CA C 78 56.100 56.100 55.215 0.885 18995 1870 1 6 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.623 -0.323 18995 1871 1 6 . 1 1 78 78 ALA H H 78 8.193 8.193 8.757 -0.564 18995 1872 1 6 . 1 1 79 79 MET N N 79 120.537 120.537 114.042 6.495 18995 1873 1 6 . 1 1 79 79 MET C C 79 178.430 178.430 176.818 1.612 18995 1874 1 6 . 1 1 79 79 MET CA C 79 59.500 59.500 55.085 4.415 18995 1875 1 6 . 1 1 79 79 MET CB C 79 32.800 32.800 32.596 0.204 18995 1876 1 6 . 1 1 79 79 MET H H 79 7.883 7.883 8.013 -0.130 18995 1877 1 6 . 1 1 80 80 VAL N N 80 120.374 120.374 119.139 1.235 18995 1878 1 6 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.695 4.505 18995 1879 1 6 . 1 1 80 80 VAL H H 80 8.299 8.299 7.571 0.728 18995 1880 1 6 . 1 1 82 82 THR C C 82 175.144 175.144 172.343 2.801 18995 1881 1 6 . 1 1 82 82 THR CA C 82 65.800 65.800 61.066 4.734 18995 1882 1 6 . 1 1 83 83 ALA N N 83 123.244 123.244 123.134 0.110 18995 1883 1 6 . 1 1 83 83 ALA C C 83 178.574 178.574 175.171 3.403 18995 1884 1 6 . 1 1 83 83 ALA CA C 83 53.900 53.900 49.926 3.974 18995 1885 1 6 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.768 -2.768 18995 1886 1 6 . 1 1 83 83 ALA H H 83 7.587 7.587 8.673 -1.086 18995 1887 1 6 . 1 1 84 84 CYS N N 84 116.910 116.910 117.457 -0.547 18995 1888 1 6 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.133 2.667 18995 1889 1 6 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.221 -1.321 18995 1890 1 6 . 1 1 84 84 CYS H H 84 7.788 7.788 8.461 -0.673 18995 1891 1 6 . 1 1 86 86 GLU CA C 86 58.600 58.600 57.307 1.293 18995 1892 1 6 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.247 -0.847 18995 1893 1 6 . 1 1 87 87 PHE N N 87 118.550 118.550 120.227 -1.677 18995 1894 1 6 . 1 1 87 87 PHE C C 87 175.597 175.597 174.592 1.005 18995 1895 1 6 . 1 1 87 87 PHE CA C 87 59.100 59.100 56.882 2.219 18995 1896 1 6 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.748 -1.347 18995 1897 1 6 . 1 1 87 87 PHE H H 87 7.838 7.838 7.713 0.125 18995 1898 1 6 . 1 1 88 88 PHE N N 88 118.438 118.438 127.244 -8.806 18995 1899 1 6 . 1 1 88 88 PHE C C 88 175.241 175.241 176.040 -0.799 18995 1900 1 6 . 1 1 88 88 PHE CA C 88 58.200 58.200 58.230 -0.030 18995 1901 1 6 . 1 1 88 88 PHE CB C 88 39.700 39.700 36.797 2.903 18995 1902 1 6 . 1 1 88 88 PHE H H 88 7.718 7.718 8.686 -0.968 18995 1903 1 6 . 1 1 89 89 GLU N N 89 121.366 121.366 126.245 -4.879 18995 1904 1 6 . 1 1 89 89 GLU C C 89 175.437 175.437 177.002 -1.565 18995 1905 1 6 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.377 2.223 18995 1906 1 6 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.191 -0.891 18995 1907 1 6 . 1 1 89 89 GLU H H 89 7.959 7.959 7.891 0.068 18995 1908 1 6 . 1 1 90 90 HIS N N 90 120.349 120.349 115.424 4.925 18995 1909 1 6 . 1 1 90 90 HIS C C 90 173.652 173.652 175.079 -1.427 18995 1910 1 6 . 1 1 90 90 HIS CA C 90 55.800 55.800 57.555 -1.755 18995 1911 1 6 . 1 1 90 90 HIS CB C 90 30.100 30.100 29.222 0.878 18995 1912 1 6 . 1 1 90 90 HIS H H 90 8.116 8.116 8.632 -0.516 18995 1913 1 6 . 1 1 91 91 GLU N N 91 127.965 127.965 117.439 10.526 18995 1914 1 6 . 1 1 91 91 GLU H H 91 8.235 8.235 7.435 0.800 18995 1915 1 7 . 1 1 20 20 ARG C C 20 177.097 177.097 175.004 2.093 18995 1916 1 7 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.728 4.372 18995 1917 1 7 . 1 1 20 20 ARG CB C 20 31.000 31.000 31.038 -0.038 18995 1918 1 7 . 1 1 21 21 GLU N N 21 116.519 116.519 120.256 -3.737 18995 1919 1 7 . 1 1 21 21 GLU C C 21 175.055 175.055 176.128 -1.073 18995 1920 1 7 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.441 1.159 18995 1921 1 7 . 1 1 21 21 GLU CB C 21 35.700 35.700 33.334 2.366 18995 1922 1 7 . 1 1 21 21 GLU H H 21 9.468 9.468 9.120 0.348 18995 1923 1 7 . 1 1 22 22 GLY N N 22 122.197 122.197 112.313 9.884 18995 1924 1 7 . 1 1 22 22 GLY C C 22 180.081 180.081 174.144 5.937 18995 1925 1 7 . 1 1 22 22 GLY H H 22 10.096 10.096 9.186 0.910 18995 1926 1 7 . 1 1 23 23 ASP N N 23 113.764 113.764 126.621 -12.857 18995 1927 1 7 . 1 1 23 23 ASP C C 23 178.957 178.957 175.474 3.483 18995 1928 1 7 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.656 1.844 18995 1929 1 7 . 1 1 23 23 ASP H H 23 8.115 8.115 9.267 -1.152 18995 1930 1 7 . 1 1 24 24 LYS N N 24 131.954 131.954 127.827 4.127 18995 1931 1 7 . 1 1 24 24 LYS C C 24 176.539 176.539 175.297 1.242 18995 1932 1 7 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.224 2.976 18995 1933 1 7 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.924 -2.224 18995 1934 1 7 . 1 1 24 24 LYS H H 24 9.484 9.484 9.004 0.480 18995 1935 1 7 . 1 1 25 25 HIS N N 25 119.313 119.313 128.358 -9.045 18995 1936 1 7 . 1 1 25 25 HIS C C 25 172.815 172.815 174.603 -1.788 18995 1937 1 7 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.494 1.006 18995 1938 1 7 . 1 1 25 25 HIS CB C 25 30.800 30.800 32.072 -1.272 18995 1939 1 7 . 1 1 25 25 HIS H H 25 9.589 9.589 8.641 0.948 18995 1940 1 7 . 1 1 26 26 LYS N N 26 115.394 115.394 126.022 -10.628 18995 1941 1 7 . 1 1 26 26 LYS C C 26 174.608 174.608 175.365 -0.757 18995 1942 1 7 . 1 1 26 26 LYS CA C 26 55.400 55.400 56.706 -1.306 18995 1943 1 7 . 1 1 26 26 LYS CB C 26 39.100 39.100 32.039 7.061 18995 1944 1 7 . 1 1 26 26 LYS H H 26 7.095 7.095 8.057 -0.962 18995 1945 1 7 . 1 1 27 27 LEU N N 27 126.263 126.263 120.147 6.116 18995 1946 1 7 . 1 1 27 27 LEU C C 27 175.637 175.637 175.976 -0.339 18995 1947 1 7 . 1 1 27 27 LEU CA C 27 52.800 52.800 53.992 -1.192 18995 1948 1 7 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.430 1.270 18995 1949 1 7 . 1 1 27 27 LEU H H 27 9.595 9.595 7.084 2.511 18995 1950 1 7 . 1 1 28 28 LYS N N 28 124.436 124.436 124.400 0.036 18995 1951 1 7 . 1 1 28 28 LYS C C 28 177.395 177.395 175.932 1.463 18995 1952 1 7 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.209 -1.009 18995 1953 1 7 . 1 1 28 28 LYS H H 28 9.711 9.711 8.599 1.112 18995 1954 1 7 . 1 1 29 29 LYS N N 29 121.980 121.980 118.656 3.324 18995 1955 1 7 . 1 1 29 29 LYS C C 29 177.400 177.400 174.836 2.564 18995 1956 1 7 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.964 6.736 18995 1957 1 7 . 1 1 29 29 LYS H H 29 9.084 9.084 7.456 1.628 18995 1958 1 7 . 1 1 30 30 SER N N 30 111.519 111.519 113.182 -1.663 18995 1959 1 7 . 1 1 30 30 SER C C 30 176.950 176.950 173.196 3.754 18995 1960 1 7 . 1 1 30 30 SER CA C 30 61.100 61.100 56.573 4.527 18995 1961 1 7 . 1 1 30 30 SER CB C 30 61.300 61.300 65.252 -3.952 18995 1962 1 7 . 1 1 30 30 SER H H 30 8.267 8.267 7.223 1.044 18995 1963 1 7 . 1 1 31 31 GLU N N 31 123.792 123.792 120.214 3.578 18995 1964 1 7 . 1 1 31 31 GLU C C 31 179.463 179.463 176.841 2.622 18995 1965 1 7 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.405 4.695 18995 1966 1 7 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.645 -2.445 18995 1967 1 7 . 1 1 31 31 GLU H H 31 6.603 6.603 9.623 -3.020 18995 1968 1 7 . 1 1 32 32 LEU N N 32 121.954 121.954 124.828 -2.874 18995 1969 1 7 . 1 1 32 32 LEU C C 32 176.995 176.995 175.606 1.389 18995 1970 1 7 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.506 2.394 18995 1971 1 7 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.235 0.065 18995 1972 1 7 . 1 1 32 32 LEU H H 32 8.936 8.936 9.019 -0.083 18995 1973 1 7 . 1 1 33 33 LYS N N 33 118.576 118.576 128.569 -9.993 18995 1974 1 7 . 1 1 33 33 LYS C C 33 176.714 176.714 175.023 1.691 18995 1975 1 7 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.676 5.824 18995 1976 1 7 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.507 -1.607 18995 1977 1 7 . 1 1 33 33 LYS H H 33 8.390 8.390 9.319 -0.929 18995 1978 1 7 . 1 1 34 34 GLU N N 34 116.152 116.152 128.475 -12.323 18995 1979 1 7 . 1 1 34 34 GLU C C 34 177.689 177.689 175.723 1.966 18995 1980 1 7 . 1 1 34 34 GLU CA C 34 59.400 59.400 56.047 3.353 18995 1981 1 7 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.811 -1.411 18995 1982 1 7 . 1 1 34 34 GLU H H 34 7.326 7.326 8.013 -0.687 18995 1983 1 7 . 1 1 35 35 LEU N N 35 123.632 123.632 128.295 -4.663 18995 1984 1 7 . 1 1 35 35 LEU C C 35 178.845 178.845 176.303 2.542 18995 1985 1 7 . 1 1 35 35 LEU CA C 35 59.800 59.800 52.767 7.033 18995 1986 1 7 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.178 -1.178 18995 1987 1 7 . 1 1 35 35 LEU H H 35 7.978 7.978 8.967 -0.989 18995 1988 1 7 . 1 1 36 36 ILE C C 36 178.328 178.328 176.181 2.147 18995 1989 1 7 . 1 1 36 36 ILE CA C 36 66.300 66.300 63.135 3.165 18995 1990 1 7 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.277 0.423 18995 1991 1 7 . 1 1 37 37 ASN N N 37 118.242 118.242 113.210 5.032 18995 1992 1 7 . 1 1 37 37 ASN C C 37 177.052 177.052 176.744 0.308 18995 1993 1 7 . 1 1 37 37 ASN CA C 37 54.800 54.800 53.587 1.213 18995 1994 1 7 . 1 1 37 37 ASN CB C 37 37.500 37.500 38.274 -0.774 18995 1995 1 7 . 1 1 37 37 ASN H H 37 8.336 8.336 8.491 -0.155 18995 1996 1 7 . 1 1 38 38 ASN N N 38 114.845 114.845 119.053 -4.208 18995 1997 1 7 . 1 1 38 38 ASN C C 38 176.578 176.578 174.497 2.081 18995 1998 1 7 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.746 2.454 18995 1999 1 7 . 1 1 38 38 ASN H H 38 8.213 8.213 8.181 0.032 18995 2000 1 7 . 1 1 39 39 GLU N N 39 113.797 113.797 121.129 -7.332 18995 2001 1 7 . 1 1 39 39 GLU C C 39 177.689 177.689 174.580 3.109 18995 2002 1 7 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.648 -1.448 18995 2003 1 7 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.055 0.245 18995 2004 1 7 . 1 1 39 39 GLU H H 39 8.522 8.522 8.219 0.303 18995 2005 1 7 . 1 1 40 40 LEU N N 40 119.982 119.982 122.983 -3.001 18995 2006 1 7 . 1 1 40 40 LEU C C 40 177.212 177.212 175.559 1.653 18995 2007 1 7 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.645 0.455 18995 2008 1 7 . 1 1 40 40 LEU CB C 40 42.700 42.700 43.946 -1.246 18995 2009 1 7 . 1 1 40 40 LEU H H 40 7.552 7.552 8.608 -1.056 18995 2010 1 7 . 1 1 41 41 SER N N 41 114.635 114.635 120.888 -6.253 18995 2011 1 7 . 1 1 41 41 SER C C 41 175.688 175.688 172.614 3.074 18995 2012 1 7 . 1 1 41 41 SER CA C 41 60.800 60.800 56.848 3.952 18995 2013 1 7 . 1 1 41 41 SER CB C 41 64.100 64.100 67.184 -3.084 18995 2014 1 7 . 1 1 41 41 SER H H 41 7.592 7.592 9.096 -1.504 18995 2015 1 7 . 1 1 42 42 HIS N N 42 122.397 122.397 115.606 6.791 18995 2016 1 7 . 1 1 42 42 HIS C C 42 175.523 175.523 172.564 2.959 18995 2017 1 7 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.196 3.504 18995 2018 1 7 . 1 1 42 42 HIS H H 42 10.406 10.406 8.278 2.128 18995 2019 1 7 . 1 1 43 43 PHE N N 43 117.618 117.618 121.787 -4.169 18995 2020 1 7 . 1 1 43 43 PHE C C 43 177.431 177.431 175.903 1.528 18995 2021 1 7 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.663 3.137 18995 2022 1 7 . 1 1 43 43 PHE H H 43 7.785 7.785 8.527 -0.742 18995 2023 1 7 . 1 1 44 44 LEU N N 44 120.185 120.185 127.091 -6.906 18995 2024 1 7 . 1 1 44 44 LEU C C 44 175.829 175.829 176.631 -0.802 18995 2025 1 7 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.886 -3.086 18995 2026 1 7 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.528 2.472 18995 2027 1 7 . 1 1 44 44 LEU H H 44 8.533 8.533 8.807 -0.274 18995 2028 1 7 . 1 1 45 45 GLU N N 45 121.499 121.499 120.451 1.048 18995 2029 1 7 . 1 1 45 45 GLU C C 45 175.060 175.060 177.384 -2.324 18995 2030 1 7 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.845 -0.245 18995 2031 1 7 . 1 1 45 45 GLU CB C 45 30.600 30.600 29.257 1.343 18995 2032 1 7 . 1 1 45 45 GLU H H 45 8.130 8.130 8.506 -0.376 18995 2033 1 7 . 1 1 46 46 GLU N N 46 122.480 122.480 125.638 -3.158 18995 2034 1 7 . 1 1 46 46 GLU C C 46 176.861 176.861 176.110 0.751 18995 2035 1 7 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.373 -0.573 18995 2036 1 7 . 1 1 46 46 GLU CB C 46 30.700 30.700 28.974 1.726 18995 2037 1 7 . 1 1 46 46 GLU H H 46 8.123 8.123 8.683 -0.560 18995 2038 1 7 . 1 1 47 47 ILE N N 47 127.680 127.680 119.484 8.196 18995 2039 1 7 . 1 1 47 47 ILE C C 47 175.931 175.931 176.042 -0.111 18995 2040 1 7 . 1 1 47 47 ILE CA C 47 62.100 62.100 62.725 -0.625 18995 2041 1 7 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.832 0.768 18995 2042 1 7 . 1 1 47 47 ILE H H 47 9.897 9.897 7.803 2.094 18995 2043 1 7 . 1 1 48 48 LYS N N 48 126.846 126.846 123.160 3.686 18995 2044 1 7 . 1 1 48 48 LYS C C 48 175.896 175.896 175.568 0.328 18995 2045 1 7 . 1 1 48 48 LYS CA C 48 56.600 56.600 54.345 2.255 18995 2046 1 7 . 1 1 48 48 LYS CB C 48 34.700 34.700 33.917 0.783 18995 2047 1 7 . 1 1 48 48 LYS H H 48 9.077 9.077 7.375 1.702 18995 2048 1 7 . 1 1 49 49 GLU C C 49 179.470 179.470 176.743 2.727 18995 2049 1 7 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.155 -1.555 18995 2050 1 7 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.668 2.132 18995 2051 1 7 . 1 1 50 50 GLN N N 50 125.850 125.850 119.152 6.698 18995 2052 1 7 . 1 1 50 50 GLN C C 50 176.883 176.883 176.998 -0.115 18995 2053 1 7 . 1 1 50 50 GLN CA C 50 58.500 58.500 57.736 0.764 18995 2054 1 7 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.287 0.113 18995 2055 1 7 . 1 1 50 50 GLN H H 50 9.041 9.041 8.900 0.141 18995 2056 1 7 . 1 1 51 51 GLU N N 51 117.404 117.404 112.285 5.119 18995 2057 1 7 . 1 1 51 51 GLU C C 51 178.262 178.262 175.806 2.456 18995 2058 1 7 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.605 4.095 18995 2059 1 7 . 1 1 51 51 GLU CB C 51 29.300 29.300 29.974 -0.673 18995 2060 1 7 . 1 1 51 51 GLU H H 51 9.352 9.352 7.365 1.987 18995 2061 1 7 . 1 1 52 52 VAL N N 52 118.888 118.888 122.694 -3.806 18995 2062 1 7 . 1 1 52 52 VAL C C 52 177.677 177.677 174.652 3.025 18995 2063 1 7 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.478 4.622 18995 2064 1 7 . 1 1 52 52 VAL CB C 52 31.700 31.700 30.731 0.969 18995 2065 1 7 . 1 1 52 52 VAL H H 52 7.247 7.247 7.325 -0.078 18995 2066 1 7 . 1 1 53 53 VAL N N 53 119.906 119.906 122.787 -2.881 18995 2067 1 7 . 1 1 53 53 VAL C C 53 176.742 176.742 175.201 1.541 18995 2068 1 7 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.754 5.446 18995 2069 1 7 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.068 -2.468 18995 2070 1 7 . 1 1 53 53 VAL H H 53 7.264 7.264 7.988 -0.724 18995 2071 1 7 . 1 1 54 54 ASP N N 54 121.483 121.483 120.121 1.362 18995 2072 1 7 . 1 1 54 54 ASP C C 54 178.291 178.291 174.607 3.684 18995 2073 1 7 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.272 5.928 18995 2074 1 7 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.261 -4.261 18995 2075 1 7 . 1 1 54 54 ASP H H 54 8.524 8.524 9.145 -0.621 18995 2076 1 7 . 1 1 55 55 LYS N N 55 120.875 120.875 127.643 -6.768 18995 2077 1 7 . 1 1 55 55 LYS C C 55 179.054 179.054 176.474 2.580 18995 2078 1 7 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.505 3.395 18995 2079 1 7 . 1 1 55 55 LYS CB C 55 32.200 32.200 31.846 0.354 18995 2080 1 7 . 1 1 55 55 LYS H H 55 7.580 7.580 8.846 -1.266 18995 2081 1 7 . 1 1 56 56 VAL N N 56 121.960 121.960 123.526 -1.566 18995 2082 1 7 . 1 1 56 56 VAL C C 56 178.221 178.221 175.045 3.176 18995 2083 1 7 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.749 5.251 18995 2084 1 7 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.884 -2.184 18995 2085 1 7 . 1 1 56 56 VAL H H 56 8.279 8.279 8.568 -0.289 18995 2086 1 7 . 1 1 57 57 MET N N 57 118.815 118.815 123.509 -4.694 18995 2087 1 7 . 1 1 57 57 MET C C 57 176.888 176.888 174.937 1.951 18995 2088 1 7 . 1 1 57 57 MET CA C 57 57.900 57.900 54.094 3.806 18995 2089 1 7 . 1 1 57 57 MET CB C 57 32.900 32.900 33.858 -0.958 18995 2090 1 7 . 1 1 57 57 MET H H 57 8.467 8.467 8.612 -0.145 18995 2091 1 7 . 1 1 58 58 GLU N N 58 117.894 117.894 124.854 -6.960 18995 2092 1 7 . 1 1 58 58 GLU C C 58 178.510 178.510 176.268 2.242 18995 2093 1 7 . 1 1 58 58 GLU CA C 58 59.400 59.400 56.893 2.507 18995 2094 1 7 . 1 1 58 58 GLU CB C 58 29.800 29.800 31.148 -1.348 18995 2095 1 7 . 1 1 58 58 GLU H H 58 8.073 8.073 8.791 -0.718 18995 2096 1 7 . 1 1 59 59 THR N N 59 113.244 113.244 113.288 -0.044 18995 2097 1 7 . 1 1 59 59 THR C C 59 174.778 174.778 172.843 1.935 18995 2098 1 7 . 1 1 59 59 THR CA C 59 65.600 65.600 59.792 5.808 18995 2099 1 7 . 1 1 59 59 THR CB C 59 69.600 69.600 70.775 -1.175 18995 2100 1 7 . 1 1 59 59 THR H H 59 7.739 7.739 7.484 0.255 18995 2101 1 7 . 1 1 60 60 LEU N N 60 119.636 119.636 123.487 -3.851 18995 2102 1 7 . 1 1 60 60 LEU C C 60 177.561 177.561 177.218 0.343 18995 2103 1 7 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.400 -0.800 18995 2104 1 7 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.039 2.261 18995 2105 1 7 . 1 1 60 60 LEU H H 60 7.643 7.643 8.647 -1.004 18995 2106 1 7 . 1 1 61 61 ASP N N 61 117.424 117.424 125.136 -7.712 18995 2107 1 7 . 1 1 61 61 ASP C C 61 175.915 175.915 174.397 1.518 18995 2108 1 7 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.736 0.864 18995 2109 1 7 . 1 1 61 61 ASP H H 61 7.984 7.984 8.543 -0.559 18995 2110 1 7 . 1 1 62 62 ASN N N 62 127.650 127.650 122.784 4.866 18995 2111 1 7 . 1 1 62 62 ASN C C 62 175.905 175.905 174.455 1.450 18995 2112 1 7 . 1 1 62 62 ASN CA C 62 54.900 54.900 53.008 1.892 18995 2113 1 7 . 1 1 62 62 ASN CB C 62 40.400 40.400 38.942 1.458 18995 2114 1 7 . 1 1 62 62 ASN H H 62 9.032 9.032 7.967 1.065 18995 2115 1 7 . 1 1 63 63 ASP N N 63 116.676 116.676 123.421 -6.745 18995 2116 1 7 . 1 1 63 63 ASP C C 63 177.604 177.604 174.860 2.744 18995 2117 1 7 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.677 2.723 18995 2118 1 7 . 1 1 63 63 ASP CB C 63 40.200 40.200 45.027 -4.827 18995 2119 1 7 . 1 1 63 63 ASP H H 63 8.302 8.302 9.629 -1.327 18995 2120 1 7 . 1 1 64 64 GLY N N 64 109.334 109.334 109.800 -0.466 18995 2121 1 7 . 1 1 64 64 GLY C C 64 174.834 174.834 174.255 0.579 18995 2122 1 7 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.700 4.000 18995 2123 1 7 . 1 1 64 64 GLY H H 64 7.681 7.681 9.046 -1.365 18995 2124 1 7 . 1 1 65 65 ASP N N 65 120.960 120.960 126.967 -6.007 18995 2125 1 7 . 1 1 65 65 ASP C C 65 177.010 177.010 174.551 2.459 18995 2126 1 7 . 1 1 65 65 ASP CA C 65 53.800 53.800 53.969 -0.169 18995 2127 1 7 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.861 -0.561 18995 2128 1 7 . 1 1 65 65 ASP H H 65 8.386 8.386 9.411 -1.025 18995 2129 1 7 . 1 1 66 66 GLY N N 66 113.875 113.875 117.440 -3.565 18995 2130 1 7 . 1 1 66 66 GLY C C 66 172.343 172.343 174.155 -1.812 18995 2131 1 7 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.802 3.098 18995 2132 1 7 . 1 1 66 66 GLY H H 66 10.212 10.212 9.018 1.194 18995 2133 1 7 . 1 1 67 67 GLU N N 67 118.701 118.701 125.659 -6.958 18995 2134 1 7 . 1 1 67 67 GLU C C 67 174.711 174.711 176.180 -1.469 18995 2135 1 7 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.898 -0.698 18995 2136 1 7 . 1 1 67 67 GLU H H 67 7.949 7.949 8.975 -1.026 18995 2137 1 7 . 1 1 68 68 CYS N N 68 124.753 124.753 126.679 -1.926 18995 2138 1 7 . 1 1 68 68 CYS C C 68 174.411 174.411 176.189 -1.778 18995 2139 1 7 . 1 1 68 68 CYS CA C 68 57.000 57.000 61.967 -4.967 18995 2140 1 7 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.850 0.250 18995 2141 1 7 . 1 1 68 68 CYS H H 68 9.486 9.486 8.609 0.877 18995 2142 1 7 . 1 1 69 69 ASP N N 69 132.376 132.376 117.130 15.246 18995 2143 1 7 . 1 1 69 69 ASP C C 69 175.307 175.307 176.213 -0.906 18995 2144 1 7 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.847 -1.547 18995 2145 1 7 . 1 1 69 69 ASP CB C 69 40.600 40.600 40.882 -0.282 18995 2146 1 7 . 1 1 69 69 ASP H H 69 9.911 9.911 8.361 1.550 18995 2147 1 7 . 1 1 70 70 PHE N N 70 119.131 119.131 119.790 -0.659 18995 2148 1 7 . 1 1 70 70 PHE C C 70 176.482 176.482 175.199 1.283 18995 2149 1 7 . 1 1 70 70 PHE CA C 70 62.900 62.900 57.951 4.949 18995 2150 1 7 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.906 -1.806 18995 2151 1 7 . 1 1 70 70 PHE H H 70 9.075 9.075 7.384 1.691 18995 2152 1 7 . 1 1 71 71 GLN N N 71 119.323 119.323 117.691 1.632 18995 2153 1 7 . 1 1 71 71 GLN C C 71 179.517 179.517 173.970 5.547 18995 2154 1 7 . 1 1 71 71 GLN CA C 71 60.100 60.100 57.002 3.098 18995 2155 1 7 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.582 0.618 18995 2156 1 7 . 1 1 71 71 GLN H H 71 8.047 8.047 8.475 -0.428 18995 2157 1 7 . 1 1 72 72 GLU N N 72 123.228 123.228 115.734 7.494 18995 2158 1 7 . 1 1 72 72 GLU C C 72 179.337 179.337 175.015 4.322 18995 2159 1 7 . 1 1 72 72 GLU CA C 72 58.900 58.900 54.941 3.958 18995 2160 1 7 . 1 1 72 72 GLU CB C 72 30.300 30.300 33.188 -2.888 18995 2161 1 7 . 1 1 72 72 GLU H H 72 9.061 9.061 7.193 1.868 18995 2162 1 7 . 1 1 73 73 PHE N N 73 123.155 123.155 118.944 4.211 18995 2163 1 7 . 1 1 73 73 PHE C C 73 176.497 176.497 175.609 0.888 18995 2164 1 7 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.160 3.640 18995 2165 1 7 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.349 -0.649 18995 2166 1 7 . 1 1 73 73 PHE H H 73 8.863 8.863 9.409 -0.546 18995 2167 1 7 . 1 1 74 74 MET N N 74 119.622 119.622 123.197 -3.575 18995 2168 1 7 . 1 1 74 74 MET C C 74 178.476 178.476 174.828 3.648 18995 2169 1 7 . 1 1 74 74 MET CA C 74 56.200 56.200 56.081 0.119 18995 2170 1 7 . 1 1 74 74 MET CB C 74 30.400 30.400 33.411 -3.011 18995 2171 1 7 . 1 1 74 74 MET H H 74 8.217 8.217 9.060 -0.843 18995 2172 1 7 . 1 1 75 75 ALA N N 75 123.073 123.073 128.591 -5.518 18995 2173 1 7 . 1 1 75 75 ALA C C 75 180.129 180.129 175.230 4.899 18995 2174 1 7 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.385 4.815 18995 2175 1 7 . 1 1 75 75 ALA H H 75 7.490 7.490 9.276 -1.786 18995 2176 1 7 . 1 1 76 76 PHE N N 76 122.171 122.171 122.774 -0.603 18995 2177 1 7 . 1 1 76 76 PHE C C 76 176.365 176.365 174.907 1.458 18995 2178 1 7 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.123 2.677 18995 2179 1 7 . 1 1 76 76 PHE CB C 76 38.600 38.600 43.290 -4.690 18995 2180 1 7 . 1 1 76 76 PHE H H 76 7.676 7.676 8.383 -0.707 18995 2181 1 7 . 1 1 77 77 VAL N N 77 119.765 119.765 124.798 -5.033 18995 2182 1 7 . 1 1 77 77 VAL C C 77 179.175 179.175 177.528 1.647 18995 2183 1 7 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.578 6.222 18995 2184 1 7 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.321 -1.121 18995 2185 1 7 . 1 1 77 77 VAL H H 77 8.498 8.498 8.850 -0.352 18995 2186 1 7 . 1 1 78 78 ALA N N 78 123.880 123.880 122.578 1.302 18995 2187 1 7 . 1 1 78 78 ALA C C 78 178.630 178.630 177.312 1.318 18995 2188 1 7 . 1 1 78 78 ALA CA C 78 56.100 56.100 54.972 1.128 18995 2189 1 7 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.608 -0.308 18995 2190 1 7 . 1 1 78 78 ALA H H 78 8.193 8.193 8.793 -0.600 18995 2191 1 7 . 1 1 79 79 MET N N 79 120.537 120.537 113.957 6.580 18995 2192 1 7 . 1 1 79 79 MET C C 79 178.430 178.430 176.748 1.682 18995 2193 1 7 . 1 1 79 79 MET CA C 79 59.500 59.500 54.567 4.933 18995 2194 1 7 . 1 1 79 79 MET CB C 79 32.800 32.800 32.277 0.523 18995 2195 1 7 . 1 1 79 79 MET H H 79 7.883 7.883 7.739 0.144 18995 2196 1 7 . 1 1 80 80 VAL N N 80 120.374 120.374 119.517 0.857 18995 2197 1 7 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.599 4.601 18995 2198 1 7 . 1 1 80 80 VAL H H 80 8.299 8.299 7.859 0.440 18995 2199 1 7 . 1 1 82 82 THR C C 82 175.144 175.144 172.558 2.586 18995 2200 1 7 . 1 1 82 82 THR CA C 82 65.800 65.800 61.230 4.570 18995 2201 1 7 . 1 1 83 83 ALA N N 83 123.244 123.244 123.141 0.103 18995 2202 1 7 . 1 1 83 83 ALA C C 83 178.574 178.574 175.258 3.316 18995 2203 1 7 . 1 1 83 83 ALA CA C 83 53.900 53.900 49.906 3.994 18995 2204 1 7 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.750 -2.750 18995 2205 1 7 . 1 1 83 83 ALA H H 83 7.587 7.587 8.863 -1.276 18995 2206 1 7 . 1 1 84 84 CYS N N 84 116.910 116.910 117.026 -0.116 18995 2207 1 7 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.202 2.598 18995 2208 1 7 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.443 -1.543 18995 2209 1 7 . 1 1 84 84 CYS H H 84 7.788 7.788 8.432 -0.644 18995 2210 1 7 . 1 1 86 86 GLU CA C 86 58.600 58.600 57.644 0.956 18995 2211 1 7 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.205 -0.805 18995 2212 1 7 . 1 1 87 87 PHE N N 87 118.550 118.550 119.322 -0.772 18995 2213 1 7 . 1 1 87 87 PHE C C 87 175.597 175.597 174.733 0.864 18995 2214 1 7 . 1 1 87 87 PHE CA C 87 59.100 59.100 56.711 2.389 18995 2215 1 7 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.757 -1.357 18995 2216 1 7 . 1 1 87 87 PHE H H 87 7.838 7.838 7.547 0.291 18995 2217 1 7 . 1 1 88 88 PHE N N 88 118.438 118.438 123.181 -4.743 18995 2218 1 7 . 1 1 88 88 PHE C C 88 175.241 175.241 175.466 -0.225 18995 2219 1 7 . 1 1 88 88 PHE CA C 88 58.200 58.200 57.446 0.754 18995 2220 1 7 . 1 1 88 88 PHE CB C 88 39.700 39.700 36.842 2.858 18995 2221 1 7 . 1 1 88 88 PHE H H 88 7.718 7.718 8.373 -0.655 18995 2222 1 7 . 1 1 89 89 GLU N N 89 121.366 121.366 126.208 -4.842 18995 2223 1 7 . 1 1 89 89 GLU C C 89 175.437 175.437 177.482 -2.045 18995 2224 1 7 . 1 1 89 89 GLU CA C 89 56.600 56.600 55.282 1.318 18995 2225 1 7 . 1 1 89 89 GLU CB C 89 30.300 30.300 30.813 -0.513 18995 2226 1 7 . 1 1 89 89 GLU H H 89 7.959 7.959 7.720 0.239 18995 2227 1 7 . 1 1 90 90 HIS N N 90 120.349 120.349 118.593 1.756 18995 2228 1 7 . 1 1 90 90 HIS C C 90 173.652 173.652 176.012 -2.360 18995 2229 1 7 . 1 1 90 90 HIS CA C 90 55.800 55.800 58.875 -3.075 18995 2230 1 7 . 1 1 90 90 HIS CB C 90 30.100 30.100 29.213 0.887 18995 2231 1 7 . 1 1 90 90 HIS H H 90 8.116 8.116 8.865 -0.749 18995 2232 1 7 . 1 1 91 91 GLU N N 91 127.965 127.965 115.773 12.192 18995 2233 1 7 . 1 1 91 91 GLU H H 91 8.235 8.235 8.223 0.012 18995 2234 1 8 . 1 1 20 20 ARG C C 20 177.097 177.097 174.777 2.320 18995 2235 1 8 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.779 4.321 18995 2236 1 8 . 1 1 20 20 ARG CB C 20 31.000 31.000 31.227 -0.227 18995 2237 1 8 . 1 1 21 21 GLU N N 21 116.519 116.519 119.496 -2.977 18995 2238 1 8 . 1 1 21 21 GLU C C 21 175.055 175.055 175.597 -0.542 18995 2239 1 8 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.754 0.846 18995 2240 1 8 . 1 1 21 21 GLU CB C 21 35.700 35.700 34.581 1.119 18995 2241 1 8 . 1 1 21 21 GLU H H 21 9.468 9.468 9.055 0.413 18995 2242 1 8 . 1 1 22 22 GLY N N 22 122.197 122.197 109.926 12.271 18995 2243 1 8 . 1 1 22 22 GLY C C 22 180.081 180.081 173.835 6.246 18995 2244 1 8 . 1 1 22 22 GLY H H 22 10.096 10.096 9.194 0.902 18995 2245 1 8 . 1 1 23 23 ASP N N 23 113.764 113.764 126.073 -12.309 18995 2246 1 8 . 1 1 23 23 ASP C C 23 178.957 178.957 175.331 3.626 18995 2247 1 8 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.339 2.162 18995 2248 1 8 . 1 1 23 23 ASP H H 23 8.115 8.115 9.303 -1.188 18995 2249 1 8 . 1 1 24 24 LYS N N 24 131.954 131.954 127.848 4.106 18995 2250 1 8 . 1 1 24 24 LYS C C 24 176.539 176.539 175.424 1.115 18995 2251 1 8 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.649 2.551 18995 2252 1 8 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.354 -1.654 18995 2253 1 8 . 1 1 24 24 LYS H H 24 9.484 9.484 9.183 0.301 18995 2254 1 8 . 1 1 25 25 HIS N N 25 119.313 119.313 128.090 -8.777 18995 2255 1 8 . 1 1 25 25 HIS C C 25 172.815 172.815 175.491 -2.676 18995 2256 1 8 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.467 1.034 18995 2257 1 8 . 1 1 25 25 HIS CB C 25 30.800 30.800 31.451 -0.651 18995 2258 1 8 . 1 1 25 25 HIS H H 25 9.589 9.589 8.899 0.690 18995 2259 1 8 . 1 1 26 26 LYS N N 26 115.394 115.394 129.721 -14.327 18995 2260 1 8 . 1 1 26 26 LYS C C 26 174.608 174.608 174.085 0.523 18995 2261 1 8 . 1 1 26 26 LYS CA C 26 55.400 55.400 55.858 -0.458 18995 2262 1 8 . 1 1 26 26 LYS CB C 26 39.100 39.100 30.064 9.036 18995 2263 1 8 . 1 1 26 26 LYS H H 26 7.095 7.095 8.273 -1.178 18995 2264 1 8 . 1 1 27 27 LEU N N 27 126.263 126.263 120.046 6.217 18995 2265 1 8 . 1 1 27 27 LEU C C 27 175.637 175.637 176.127 -0.490 18995 2266 1 8 . 1 1 27 27 LEU CA C 27 52.800 52.800 55.067 -2.267 18995 2267 1 8 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.811 0.889 18995 2268 1 8 . 1 1 27 27 LEU H H 27 9.595 9.595 7.265 2.330 18995 2269 1 8 . 1 1 28 28 LYS N N 28 124.436 124.436 123.528 0.908 18995 2270 1 8 . 1 1 28 28 LYS C C 28 177.395 177.395 176.177 1.218 18995 2271 1 8 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.469 -1.269 18995 2272 1 8 . 1 1 28 28 LYS H H 28 9.711 9.711 8.659 1.052 18995 2273 1 8 . 1 1 29 29 LYS N N 29 121.980 121.980 118.477 3.503 18995 2274 1 8 . 1 1 29 29 LYS C C 29 177.400 177.400 174.801 2.599 18995 2275 1 8 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.934 6.766 18995 2276 1 8 . 1 1 29 29 LYS H H 29 9.084 9.084 7.519 1.565 18995 2277 1 8 . 1 1 30 30 SER N N 30 111.519 111.519 113.109 -1.590 18995 2278 1 8 . 1 1 30 30 SER C C 30 176.950 176.950 173.015 3.935 18995 2279 1 8 . 1 1 30 30 SER CA C 30 61.100 61.100 56.142 4.958 18995 2280 1 8 . 1 1 30 30 SER CB C 30 61.300 61.300 65.903 -4.603 18995 2281 1 8 . 1 1 30 30 SER H H 30 8.267 8.267 7.122 1.145 18995 2282 1 8 . 1 1 31 31 GLU N N 31 123.792 123.792 119.826 3.966 18995 2283 1 8 . 1 1 31 31 GLU C C 31 179.463 179.463 176.727 2.736 18995 2284 1 8 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.420 4.680 18995 2285 1 8 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.620 -2.420 18995 2286 1 8 . 1 1 31 31 GLU H H 31 6.603 6.603 9.537 -2.934 18995 2287 1 8 . 1 1 32 32 LEU N N 32 121.954 121.954 124.926 -2.972 18995 2288 1 8 . 1 1 32 32 LEU C C 32 176.995 176.995 175.571 1.424 18995 2289 1 8 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.675 2.225 18995 2290 1 8 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.288 0.012 18995 2291 1 8 . 1 1 32 32 LEU H H 32 8.936 8.936 9.090 -0.154 18995 2292 1 8 . 1 1 33 33 LYS N N 33 118.576 118.576 128.621 -10.045 18995 2293 1 8 . 1 1 33 33 LYS C C 33 176.714 176.714 174.853 1.861 18995 2294 1 8 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.655 5.845 18995 2295 1 8 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.978 -2.078 18995 2296 1 8 . 1 1 33 33 LYS H H 33 8.390 8.390 9.352 -0.962 18995 2297 1 8 . 1 1 34 34 GLU N N 34 116.152 116.152 127.966 -11.814 18995 2298 1 8 . 1 1 34 34 GLU C C 34 177.689 177.689 175.074 2.615 18995 2299 1 8 . 1 1 34 34 GLU CA C 34 59.400 59.400 55.765 3.635 18995 2300 1 8 . 1 1 34 34 GLU CB C 34 29.400 29.400 31.145 -1.745 18995 2301 1 8 . 1 1 34 34 GLU H H 34 7.326 7.326 8.460 -1.134 18995 2302 1 8 . 1 1 35 35 LEU N N 35 123.632 123.632 127.479 -3.847 18995 2303 1 8 . 1 1 35 35 LEU C C 35 178.845 178.845 176.265 2.580 18995 2304 1 8 . 1 1 35 35 LEU CA C 35 59.800 59.800 52.907 6.893 18995 2305 1 8 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.333 -1.333 18995 2306 1 8 . 1 1 35 35 LEU H H 35 7.978 7.978 8.919 -0.941 18995 2307 1 8 . 1 1 36 36 ILE C C 36 178.328 178.328 176.043 2.285 18995 2308 1 8 . 1 1 36 36 ILE CA C 36 66.300 66.300 63.161 3.139 18995 2309 1 8 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.273 0.427 18995 2310 1 8 . 1 1 37 37 ASN N N 37 118.242 118.242 113.026 5.216 18995 2311 1 8 . 1 1 37 37 ASN C C 37 177.052 177.052 176.662 0.390 18995 2312 1 8 . 1 1 37 37 ASN CA C 37 54.800 54.800 53.565 1.235 18995 2313 1 8 . 1 1 37 37 ASN CB C 37 37.500 37.500 38.209 -0.709 18995 2314 1 8 . 1 1 37 37 ASN H H 37 8.336 8.336 8.458 -0.122 18995 2315 1 8 . 1 1 38 38 ASN N N 38 114.845 114.845 118.812 -3.967 18995 2316 1 8 . 1 1 38 38 ASN C C 38 176.578 176.578 174.601 1.977 18995 2317 1 8 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.674 2.526 18995 2318 1 8 . 1 1 38 38 ASN H H 38 8.213 8.213 7.993 0.220 18995 2319 1 8 . 1 1 39 39 GLU N N 39 113.797 113.797 121.161 -7.364 18995 2320 1 8 . 1 1 39 39 GLU C C 39 177.689 177.689 174.599 3.090 18995 2321 1 8 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.998 -1.798 18995 2322 1 8 . 1 1 39 39 GLU CB C 39 31.300 31.300 30.970 0.330 18995 2323 1 8 . 1 1 39 39 GLU H H 39 8.522 8.522 8.303 0.219 18995 2324 1 8 . 1 1 40 40 LEU N N 40 119.982 119.982 123.064 -3.082 18995 2325 1 8 . 1 1 40 40 LEU C C 40 177.212 177.212 175.619 1.593 18995 2326 1 8 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.540 0.560 18995 2327 1 8 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.293 -1.593 18995 2328 1 8 . 1 1 40 40 LEU H H 40 7.552 7.552 8.579 -1.027 18995 2329 1 8 . 1 1 41 41 SER N N 41 114.635 114.635 120.549 -5.914 18995 2330 1 8 . 1 1 41 41 SER C C 41 175.688 175.688 172.391 3.297 18995 2331 1 8 . 1 1 41 41 SER CA C 41 60.800 60.800 56.848 3.952 18995 2332 1 8 . 1 1 41 41 SER CB C 41 64.100 64.100 66.640 -2.540 18995 2333 1 8 . 1 1 41 41 SER H H 41 7.592 7.592 9.174 -1.582 18995 2334 1 8 . 1 1 42 42 HIS N N 42 122.397 122.397 115.397 7.000 18995 2335 1 8 . 1 1 42 42 HIS C C 42 175.523 175.523 172.440 3.083 18995 2336 1 8 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.152 3.548 18995 2337 1 8 . 1 1 42 42 HIS H H 42 10.406 10.406 8.131 2.275 18995 2338 1 8 . 1 1 43 43 PHE N N 43 117.618 117.618 120.766 -3.148 18995 2339 1 8 . 1 1 43 43 PHE C C 43 177.431 177.431 176.081 1.350 18995 2340 1 8 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.456 3.344 18995 2341 1 8 . 1 1 43 43 PHE H H 43 7.785 7.785 8.497 -0.712 18995 2342 1 8 . 1 1 44 44 LEU N N 44 120.185 120.185 126.834 -6.649 18995 2343 1 8 . 1 1 44 44 LEU C C 44 175.829 175.829 176.585 -0.756 18995 2344 1 8 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.805 -3.005 18995 2345 1 8 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.396 2.604 18995 2346 1 8 . 1 1 44 44 LEU H H 44 8.533 8.533 8.796 -0.263 18995 2347 1 8 . 1 1 45 45 GLU N N 45 121.499 121.499 119.795 1.704 18995 2348 1 8 . 1 1 45 45 GLU C C 45 175.060 175.060 177.422 -2.362 18995 2349 1 8 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.824 -0.224 18995 2350 1 8 . 1 1 45 45 GLU CB C 45 30.600 30.600 29.530 1.070 18995 2351 1 8 . 1 1 45 45 GLU H H 45 8.130 8.130 8.325 -0.195 18995 2352 1 8 . 1 1 46 46 GLU N N 46 122.480 122.480 123.991 -1.511 18995 2353 1 8 . 1 1 46 46 GLU C C 46 176.861 176.861 175.810 1.051 18995 2354 1 8 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.021 -0.221 18995 2355 1 8 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.015 1.685 18995 2356 1 8 . 1 1 46 46 GLU H H 46 8.123 8.123 8.533 -0.410 18995 2357 1 8 . 1 1 47 47 ILE N N 47 127.680 127.680 118.515 9.165 18995 2358 1 8 . 1 1 47 47 ILE C C 47 175.931 175.931 175.598 0.333 18995 2359 1 8 . 1 1 47 47 ILE CA C 47 62.100 62.100 60.700 1.400 18995 2360 1 8 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.996 0.604 18995 2361 1 8 . 1 1 47 47 ILE H H 47 9.897 9.897 7.715 2.182 18995 2362 1 8 . 1 1 48 48 LYS N N 48 126.846 126.846 124.721 2.125 18995 2363 1 8 . 1 1 48 48 LYS C C 48 175.896 175.896 175.875 0.021 18995 2364 1 8 . 1 1 48 48 LYS CA C 48 56.600 56.600 53.832 2.768 18995 2365 1 8 . 1 1 48 48 LYS CB C 48 34.700 34.700 34.287 0.413 18995 2366 1 8 . 1 1 48 48 LYS H H 48 9.077 9.077 7.512 1.565 18995 2367 1 8 . 1 1 49 49 GLU C C 49 179.470 179.470 175.951 3.519 18995 2368 1 8 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.183 -1.583 18995 2369 1 8 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.643 2.157 18995 2370 1 8 . 1 1 50 50 GLN N N 50 125.850 125.850 117.055 8.795 18995 2371 1 8 . 1 1 50 50 GLN C C 50 176.883 176.883 176.614 0.269 18995 2372 1 8 . 1 1 50 50 GLN CA C 50 58.500 58.500 57.462 1.038 18995 2373 1 8 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.813 -0.413 18995 2374 1 8 . 1 1 50 50 GLN H H 50 9.041 9.041 8.807 0.234 18995 2375 1 8 . 1 1 51 51 GLU N N 51 117.404 117.404 112.570 4.834 18995 2376 1 8 . 1 1 51 51 GLU C C 51 178.262 178.262 175.201 3.061 18995 2377 1 8 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.605 4.095 18995 2378 1 8 . 1 1 51 51 GLU CB C 51 29.300 29.300 30.030 -0.730 18995 2379 1 8 . 1 1 51 51 GLU H H 51 9.352 9.352 7.457 1.895 18995 2380 1 8 . 1 1 52 52 VAL N N 52 118.888 118.888 121.987 -3.099 18995 2381 1 8 . 1 1 52 52 VAL C C 52 177.677 177.677 174.620 3.057 18995 2382 1 8 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.674 4.426 18995 2383 1 8 . 1 1 52 52 VAL CB C 52 31.700 31.700 31.135 0.565 18995 2384 1 8 . 1 1 52 52 VAL H H 52 7.247 7.247 7.221 0.026 18995 2385 1 8 . 1 1 53 53 VAL N N 53 119.906 119.906 123.913 -4.007 18995 2386 1 8 . 1 1 53 53 VAL C C 53 176.742 176.742 174.897 1.845 18995 2387 1 8 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.694 5.506 18995 2388 1 8 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.456 -2.856 18995 2389 1 8 . 1 1 53 53 VAL H H 53 7.264 7.264 8.502 -1.238 18995 2390 1 8 . 1 1 54 54 ASP N N 54 121.483 121.483 121.507 -0.024 18995 2391 1 8 . 1 1 54 54 ASP C C 54 178.291 178.291 174.476 3.815 18995 2392 1 8 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.322 5.878 18995 2393 1 8 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.130 -4.130 18995 2394 1 8 . 1 1 54 54 ASP H H 54 8.524 8.524 9.104 -0.580 18995 2395 1 8 . 1 1 55 55 LYS N N 55 120.875 120.875 127.731 -6.856 18995 2396 1 8 . 1 1 55 55 LYS C C 55 179.054 179.054 176.343 2.711 18995 2397 1 8 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.580 3.320 18995 2398 1 8 . 1 1 55 55 LYS CB C 55 32.200 32.200 32.897 -0.697 18995 2399 1 8 . 1 1 55 55 LYS H H 55 7.580 7.580 8.829 -1.249 18995 2400 1 8 . 1 1 56 56 VAL N N 56 121.960 121.960 124.366 -2.406 18995 2401 1 8 . 1 1 56 56 VAL C C 56 178.221 178.221 174.964 3.257 18995 2402 1 8 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.153 5.847 18995 2403 1 8 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.563 -1.863 18995 2404 1 8 . 1 1 56 56 VAL H H 56 8.279 8.279 8.763 -0.484 18995 2405 1 8 . 1 1 57 57 MET N N 57 118.815 118.815 126.041 -7.226 18995 2406 1 8 . 1 1 57 57 MET C C 57 176.888 176.888 175.318 1.570 18995 2407 1 8 . 1 1 57 57 MET CA C 57 57.900 57.900 54.273 3.627 18995 2408 1 8 . 1 1 57 57 MET CB C 57 32.900 32.900 33.182 -0.282 18995 2409 1 8 . 1 1 57 57 MET H H 57 8.467 8.467 8.948 -0.481 18995 2410 1 8 . 1 1 58 58 GLU N N 58 117.894 117.894 125.812 -7.918 18995 2411 1 8 . 1 1 58 58 GLU C C 58 178.510 178.510 176.435 2.075 18995 2412 1 8 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.284 2.116 18995 2413 1 8 . 1 1 58 58 GLU CB C 58 29.800 29.800 30.745 -0.945 18995 2414 1 8 . 1 1 58 58 GLU H H 58 8.073 8.073 8.792 -0.719 18995 2415 1 8 . 1 1 59 59 THR N N 59 113.244 113.244 113.076 0.168 18995 2416 1 8 . 1 1 59 59 THR C C 59 174.778 174.778 172.869 1.909 18995 2417 1 8 . 1 1 59 59 THR CA C 59 65.600 65.600 59.843 5.757 18995 2418 1 8 . 1 1 59 59 THR CB C 59 69.600 69.600 70.858 -1.258 18995 2419 1 8 . 1 1 59 59 THR H H 59 7.739 7.739 7.574 0.165 18995 2420 1 8 . 1 1 60 60 LEU N N 60 119.636 119.636 123.753 -4.117 18995 2421 1 8 . 1 1 60 60 LEU C C 60 177.561 177.561 177.414 0.147 18995 2422 1 8 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.989 -1.389 18995 2423 1 8 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.081 2.219 18995 2424 1 8 . 1 1 60 60 LEU H H 60 7.643 7.643 8.798 -1.155 18995 2425 1 8 . 1 1 61 61 ASP N N 61 117.424 117.424 125.098 -7.674 18995 2426 1 8 . 1 1 61 61 ASP C C 61 175.915 175.915 174.796 1.119 18995 2427 1 8 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.812 0.788 18995 2428 1 8 . 1 1 61 61 ASP H H 61 7.984 7.984 8.652 -0.668 18995 2429 1 8 . 1 1 62 62 ASN N N 62 127.650 127.650 122.499 5.151 18995 2430 1 8 . 1 1 62 62 ASN C C 62 175.905 175.905 174.387 1.518 18995 2431 1 8 . 1 1 62 62 ASN CA C 62 54.900 54.900 53.187 1.714 18995 2432 1 8 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.900 0.500 18995 2433 1 8 . 1 1 62 62 ASN H H 62 9.032 9.032 8.313 0.719 18995 2434 1 8 . 1 1 63 63 ASP N N 63 116.676 116.676 123.551 -6.875 18995 2435 1 8 . 1 1 63 63 ASP C C 63 177.604 177.604 174.815 2.789 18995 2436 1 8 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.622 2.778 18995 2437 1 8 . 1 1 63 63 ASP CB C 63 40.200 40.200 45.282 -5.082 18995 2438 1 8 . 1 1 63 63 ASP H H 63 8.302 8.302 9.686 -1.384 18995 2439 1 8 . 1 1 64 64 GLY N N 64 109.334 109.334 109.685 -0.351 18995 2440 1 8 . 1 1 64 64 GLY C C 64 174.834 174.834 174.464 0.370 18995 2441 1 8 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.317 4.383 18995 2442 1 8 . 1 1 64 64 GLY H H 64 7.681 7.681 9.032 -1.351 18995 2443 1 8 . 1 1 65 65 ASP N N 65 120.960 120.960 125.986 -5.026 18995 2444 1 8 . 1 1 65 65 ASP C C 65 177.010 177.010 174.709 2.301 18995 2445 1 8 . 1 1 65 65 ASP CA C 65 53.800 53.800 53.901 -0.101 18995 2446 1 8 . 1 1 65 65 ASP CB C 65 40.300 40.300 41.173 -0.873 18995 2447 1 8 . 1 1 65 65 ASP H H 65 8.386 8.386 9.400 -1.014 18995 2448 1 8 . 1 1 66 66 GLY N N 66 113.875 113.875 117.202 -3.327 18995 2449 1 8 . 1 1 66 66 GLY C C 66 172.343 172.343 174.098 -1.755 18995 2450 1 8 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.848 3.052 18995 2451 1 8 . 1 1 66 66 GLY H H 66 10.212 10.212 9.051 1.161 18995 2452 1 8 . 1 1 67 67 GLU N N 67 118.701 118.701 125.666 -6.965 18995 2453 1 8 . 1 1 67 67 GLU C C 67 174.711 174.711 176.137 -1.426 18995 2454 1 8 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.800 -0.600 18995 2455 1 8 . 1 1 67 67 GLU H H 67 7.949 7.949 8.888 -0.939 18995 2456 1 8 . 1 1 68 68 CYS N N 68 124.753 124.753 127.170 -2.417 18995 2457 1 8 . 1 1 68 68 CYS C C 68 174.411 174.411 176.791 -2.380 18995 2458 1 8 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.995 -5.995 18995 2459 1 8 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.842 0.258 18995 2460 1 8 . 1 1 68 68 CYS H H 68 9.486 9.486 8.815 0.671 18995 2461 1 8 . 1 1 69 69 ASP N N 69 132.376 132.376 119.012 13.364 18995 2462 1 8 . 1 1 69 69 ASP C C 69 175.307 175.307 174.502 0.805 18995 2463 1 8 . 1 1 69 69 ASP CA C 69 53.300 53.300 53.960 -0.660 18995 2464 1 8 . 1 1 69 69 ASP CB C 69 40.600 40.600 38.849 1.751 18995 2465 1 8 . 1 1 69 69 ASP H H 69 9.911 9.911 8.481 1.430 18995 2466 1 8 . 1 1 70 70 PHE N N 70 119.131 119.131 120.060 -0.929 18995 2467 1 8 . 1 1 70 70 PHE C C 70 176.482 176.482 174.775 1.707 18995 2468 1 8 . 1 1 70 70 PHE CA C 70 62.900 62.900 58.347 4.553 18995 2469 1 8 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.093 -0.993 18995 2470 1 8 . 1 1 70 70 PHE H H 70 9.075 9.075 8.089 0.986 18995 2471 1 8 . 1 1 71 71 GLN N N 71 119.323 119.323 118.265 1.058 18995 2472 1 8 . 1 1 71 71 GLN C C 71 179.517 179.517 173.996 5.521 18995 2473 1 8 . 1 1 71 71 GLN CA C 71 60.100 60.100 57.040 3.060 18995 2474 1 8 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.625 0.576 18995 2475 1 8 . 1 1 71 71 GLN H H 71 8.047 8.047 8.459 -0.412 18995 2476 1 8 . 1 1 72 72 GLU N N 72 123.228 123.228 115.758 7.470 18995 2477 1 8 . 1 1 72 72 GLU C C 72 179.337 179.337 174.876 4.461 18995 2478 1 8 . 1 1 72 72 GLU CA C 72 58.900 58.900 54.963 3.937 18995 2479 1 8 . 1 1 72 72 GLU CB C 72 30.300 30.300 33.294 -2.994 18995 2480 1 8 . 1 1 72 72 GLU H H 72 9.061 9.061 7.183 1.878 18995 2481 1 8 . 1 1 73 73 PHE N N 73 123.155 123.155 118.596 4.559 18995 2482 1 8 . 1 1 73 73 PHE C C 73 176.497 176.497 175.369 1.128 18995 2483 1 8 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.010 3.790 18995 2484 1 8 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.689 -0.989 18995 2485 1 8 . 1 1 73 73 PHE H H 73 8.863 8.863 9.389 -0.526 18995 2486 1 8 . 1 1 74 74 MET N N 74 119.622 119.622 122.758 -3.136 18995 2487 1 8 . 1 1 74 74 MET C C 74 178.476 178.476 174.844 3.632 18995 2488 1 8 . 1 1 74 74 MET CA C 74 56.200 56.200 55.792 0.408 18995 2489 1 8 . 1 1 74 74 MET CB C 74 30.400 30.400 33.470 -3.070 18995 2490 1 8 . 1 1 74 74 MET H H 74 8.217 8.217 8.976 -0.759 18995 2491 1 8 . 1 1 75 75 ALA N N 75 123.073 123.073 128.621 -5.548 18995 2492 1 8 . 1 1 75 75 ALA C C 75 180.129 180.129 175.160 4.969 18995 2493 1 8 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.318 4.882 18995 2494 1 8 . 1 1 75 75 ALA H H 75 7.490 7.490 9.347 -1.857 18995 2495 1 8 . 1 1 76 76 PHE N N 76 122.171 122.171 122.397 -0.226 18995 2496 1 8 . 1 1 76 76 PHE C C 76 176.365 176.365 175.076 1.289 18995 2497 1 8 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.361 2.439 18995 2498 1 8 . 1 1 76 76 PHE CB C 76 38.600 38.600 42.705 -4.105 18995 2499 1 8 . 1 1 76 76 PHE H H 76 7.676 7.676 8.211 -0.535 18995 2500 1 8 . 1 1 77 77 VAL N N 77 119.765 119.765 123.853 -4.088 18995 2501 1 8 . 1 1 77 77 VAL C C 77 179.175 179.175 177.732 1.443 18995 2502 1 8 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.501 6.299 18995 2503 1 8 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.287 -1.087 18995 2504 1 8 . 1 1 77 77 VAL H H 77 8.498 8.498 8.631 -0.133 18995 2505 1 8 . 1 1 78 78 ALA N N 78 123.880 123.880 121.926 1.954 18995 2506 1 8 . 1 1 78 78 ALA C C 78 178.630 178.630 177.561 1.069 18995 2507 1 8 . 1 1 78 78 ALA CA C 78 56.100 56.100 54.843 1.257 18995 2508 1 8 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.573 -0.273 18995 2509 1 8 . 1 1 78 78 ALA H H 78 8.193 8.193 8.693 -0.500 18995 2510 1 8 . 1 1 79 79 MET N N 79 120.537 120.537 114.805 5.732 18995 2511 1 8 . 1 1 79 79 MET C C 79 178.430 178.430 176.597 1.833 18995 2512 1 8 . 1 1 79 79 MET CA C 79 59.500 59.500 54.788 4.712 18995 2513 1 8 . 1 1 79 79 MET CB C 79 32.800 32.800 32.240 0.560 18995 2514 1 8 . 1 1 79 79 MET H H 79 7.883 7.883 7.923 -0.040 18995 2515 1 8 . 1 1 80 80 VAL N N 80 120.374 120.374 119.167 1.207 18995 2516 1 8 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.552 4.648 18995 2517 1 8 . 1 1 80 80 VAL H H 80 8.299 8.299 7.425 0.874 18995 2518 1 8 . 1 1 82 82 THR C C 82 175.144 175.144 173.002 2.142 18995 2519 1 8 . 1 1 82 82 THR CA C 82 65.800 65.800 61.124 4.676 18995 2520 1 8 . 1 1 83 83 ALA N N 83 123.244 123.244 123.503 -0.259 18995 2521 1 8 . 1 1 83 83 ALA C C 83 178.574 178.574 175.241 3.333 18995 2522 1 8 . 1 1 83 83 ALA CA C 83 53.900 53.900 49.790 4.110 18995 2523 1 8 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.447 -2.447 18995 2524 1 8 . 1 1 83 83 ALA H H 83 7.587 7.587 8.653 -1.066 18995 2525 1 8 . 1 1 84 84 CYS N N 84 116.910 116.910 117.685 -0.775 18995 2526 1 8 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.193 2.607 18995 2527 1 8 . 1 1 84 84 CYS CB C 84 27.900 27.900 28.792 -0.892 18995 2528 1 8 . 1 1 84 84 CYS H H 84 7.788 7.788 8.349 -0.561 18995 2529 1 8 . 1 1 86 86 GLU CA C 86 58.600 58.600 58.245 0.355 18995 2530 1 8 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.172 -0.773 18995 2531 1 8 . 1 1 87 87 PHE N N 87 118.550 118.550 119.341 -0.791 18995 2532 1 8 . 1 1 87 87 PHE C C 87 175.597 175.597 174.387 1.210 18995 2533 1 8 . 1 1 87 87 PHE CA C 87 59.100 59.100 57.269 1.831 18995 2534 1 8 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.423 -1.023 18995 2535 1 8 . 1 1 87 87 PHE H H 87 7.838 7.838 7.647 0.191 18995 2536 1 8 . 1 1 88 88 PHE N N 88 118.438 118.438 125.251 -6.813 18995 2537 1 8 . 1 1 88 88 PHE C C 88 175.241 175.241 176.013 -0.772 18995 2538 1 8 . 1 1 88 88 PHE CA C 88 58.200 58.200 58.227 -0.027 18995 2539 1 8 . 1 1 88 88 PHE CB C 88 39.700 39.700 37.504 2.196 18995 2540 1 8 . 1 1 88 88 PHE H H 88 7.718 7.718 8.493 -0.775 18995 2541 1 8 . 1 1 89 89 GLU N N 89 121.366 121.366 126.727 -5.361 18995 2542 1 8 . 1 1 89 89 GLU C C 89 175.437 175.437 177.005 -1.568 18995 2543 1 8 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.156 2.444 18995 2544 1 8 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.826 -1.526 18995 2545 1 8 . 1 1 89 89 GLU H H 89 7.959 7.959 8.108 -0.149 18995 2546 1 8 . 1 1 90 90 HIS N N 90 120.349 120.349 116.539 3.810 18995 2547 1 8 . 1 1 90 90 HIS C C 90 173.652 173.652 176.060 -2.408 18995 2548 1 8 . 1 1 90 90 HIS CA C 90 55.800 55.800 58.369 -2.569 18995 2549 1 8 . 1 1 90 90 HIS CB C 90 30.100 30.100 28.935 1.165 18995 2550 1 8 . 1 1 90 90 HIS H H 90 8.116 8.116 8.752 -0.636 18995 2551 1 8 . 1 1 91 91 GLU N N 91 127.965 127.965 118.910 9.055 18995 2552 1 8 . 1 1 91 91 GLU H H 91 8.235 8.235 7.639 0.596 18995 2553 1 9 . 1 1 20 20 ARG C C 20 177.097 177.097 174.788 2.309 18995 2554 1 9 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.574 4.526 18995 2555 1 9 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.947 0.053 18995 2556 1 9 . 1 1 21 21 GLU N N 21 116.519 116.519 120.504 -3.985 18995 2557 1 9 . 1 1 21 21 GLU C C 21 175.055 175.055 175.649 -0.594 18995 2558 1 9 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.305 1.295 18995 2559 1 9 . 1 1 21 21 GLU CB C 21 35.700 35.700 34.046 1.654 18995 2560 1 9 . 1 1 21 21 GLU H H 21 9.468 9.468 9.245 0.223 18995 2561 1 9 . 1 1 22 22 GLY N N 22 122.197 122.197 109.767 12.430 18995 2562 1 9 . 1 1 22 22 GLY C C 22 180.081 180.081 173.815 6.266 18995 2563 1 9 . 1 1 22 22 GLY H H 22 10.096 10.096 9.296 0.800 18995 2564 1 9 . 1 1 23 23 ASP N N 23 113.764 113.764 126.374 -12.610 18995 2565 1 9 . 1 1 23 23 ASP C C 23 178.957 178.957 175.469 3.488 18995 2566 1 9 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.549 1.951 18995 2567 1 9 . 1 1 23 23 ASP H H 23 8.115 8.115 9.349 -1.234 18995 2568 1 9 . 1 1 24 24 LYS N N 24 131.954 131.954 127.725 4.229 18995 2569 1 9 . 1 1 24 24 LYS C C 24 176.539 176.539 175.251 1.288 18995 2570 1 9 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.171 3.029 18995 2571 1 9 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.262 -1.562 18995 2572 1 9 . 1 1 24 24 LYS H H 24 9.484 9.484 9.060 0.424 18995 2573 1 9 . 1 1 25 25 HIS N N 25 119.313 119.313 128.655 -9.342 18995 2574 1 9 . 1 1 25 25 HIS C C 25 172.815 172.815 174.649 -1.834 18995 2575 1 9 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.918 0.582 18995 2576 1 9 . 1 1 25 25 HIS CB C 25 30.800 30.800 31.946 -1.146 18995 2577 1 9 . 1 1 25 25 HIS H H 25 9.589 9.589 8.767 0.822 18995 2578 1 9 . 1 1 26 26 LYS N N 26 115.394 115.394 126.157 -10.763 18995 2579 1 9 . 1 1 26 26 LYS C C 26 174.608 174.608 175.068 -0.460 18995 2580 1 9 . 1 1 26 26 LYS CA C 26 55.400 55.400 56.775 -1.375 18995 2581 1 9 . 1 1 26 26 LYS CB C 26 39.100 39.100 32.088 7.012 18995 2582 1 9 . 1 1 26 26 LYS H H 26 7.095 7.095 7.944 -0.849 18995 2583 1 9 . 1 1 27 27 LEU N N 27 126.263 126.263 119.681 6.582 18995 2584 1 9 . 1 1 27 27 LEU C C 27 175.637 175.637 176.281 -0.644 18995 2585 1 9 . 1 1 27 27 LEU CA C 27 52.800 52.800 53.762 -0.962 18995 2586 1 9 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.001 1.699 18995 2587 1 9 . 1 1 27 27 LEU H H 27 9.595 9.595 7.064 2.531 18995 2588 1 9 . 1 1 28 28 LYS N N 28 124.436 124.436 124.090 0.346 18995 2589 1 9 . 1 1 28 28 LYS C C 28 177.395 177.395 176.168 1.227 18995 2590 1 9 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.423 -1.223 18995 2591 1 9 . 1 1 28 28 LYS H H 28 9.711 9.711 8.539 1.172 18995 2592 1 9 . 1 1 29 29 LYS N N 29 121.980 121.980 118.715 3.265 18995 2593 1 9 . 1 1 29 29 LYS C C 29 177.400 177.400 175.097 2.303 18995 2594 1 9 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.923 6.777 18995 2595 1 9 . 1 1 29 29 LYS H H 29 9.084 9.084 7.495 1.589 18995 2596 1 9 . 1 1 30 30 SER N N 30 111.519 111.519 113.636 -2.117 18995 2597 1 9 . 1 1 30 30 SER C C 30 176.950 176.950 173.399 3.551 18995 2598 1 9 . 1 1 30 30 SER CA C 30 61.100 61.100 57.186 3.914 18995 2599 1 9 . 1 1 30 30 SER CB C 30 61.300 61.300 65.088 -3.788 18995 2600 1 9 . 1 1 30 30 SER H H 30 8.267 8.267 7.193 1.074 18995 2601 1 9 . 1 1 31 31 GLU N N 31 123.792 123.792 120.178 3.614 18995 2602 1 9 . 1 1 31 31 GLU C C 31 179.463 179.463 177.131 2.332 18995 2603 1 9 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.301 4.799 18995 2604 1 9 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.707 -2.507 18995 2605 1 9 . 1 1 31 31 GLU H H 31 6.603 6.603 9.671 -3.068 18995 2606 1 9 . 1 1 32 32 LEU N N 32 121.954 121.954 124.838 -2.884 18995 2607 1 9 . 1 1 32 32 LEU C C 32 176.995 176.995 175.621 1.374 18995 2608 1 9 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.403 2.497 18995 2609 1 9 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.287 0.013 18995 2610 1 9 . 1 1 32 32 LEU H H 32 8.936 8.936 8.631 0.305 18995 2611 1 9 . 1 1 33 33 LYS N N 33 118.576 118.576 128.660 -10.084 18995 2612 1 9 . 1 1 33 33 LYS C C 33 176.714 176.714 175.199 1.515 18995 2613 1 9 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.732 5.768 18995 2614 1 9 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.236 -1.336 18995 2615 1 9 . 1 1 33 33 LYS H H 33 8.390 8.390 9.298 -0.908 18995 2616 1 9 . 1 1 34 34 GLU N N 34 116.152 116.152 128.487 -12.335 18995 2617 1 9 . 1 1 34 34 GLU C C 34 177.689 177.689 175.572 2.117 18995 2618 1 9 . 1 1 34 34 GLU CA C 34 59.400 59.400 56.110 3.290 18995 2619 1 9 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.674 -1.274 18995 2620 1 9 . 1 1 34 34 GLU H H 34 7.326 7.326 8.091 -0.765 18995 2621 1 9 . 1 1 35 35 LEU N N 35 123.632 123.632 127.457 -3.825 18995 2622 1 9 . 1 1 35 35 LEU C C 35 178.845 178.845 176.442 2.403 18995 2623 1 9 . 1 1 35 35 LEU CA C 35 59.800 59.800 52.115 7.685 18995 2624 1 9 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.149 -1.149 18995 2625 1 9 . 1 1 35 35 LEU H H 35 7.978 7.978 8.978 -1.000 18995 2626 1 9 . 1 1 36 36 ILE C C 36 178.328 178.328 175.698 2.630 18995 2627 1 9 . 1 1 36 36 ILE CA C 36 66.300 66.300 62.951 3.349 18995 2628 1 9 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.213 0.487 18995 2629 1 9 . 1 1 37 37 ASN N N 37 118.242 118.242 112.834 5.408 18995 2630 1 9 . 1 1 37 37 ASN C C 37 177.052 177.052 176.575 0.477 18995 2631 1 9 . 1 1 37 37 ASN CA C 37 54.800 54.800 53.173 1.627 18995 2632 1 9 . 1 1 37 37 ASN CB C 37 37.500 37.500 38.512 -1.012 18995 2633 1 9 . 1 1 37 37 ASN H H 37 8.336 8.336 8.417 -0.081 18995 2634 1 9 . 1 1 38 38 ASN N N 38 114.845 114.845 118.992 -4.147 18995 2635 1 9 . 1 1 38 38 ASN C C 38 176.578 176.578 174.500 2.078 18995 2636 1 9 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.709 2.491 18995 2637 1 9 . 1 1 38 38 ASN H H 38 8.213 8.213 7.985 0.228 18995 2638 1 9 . 1 1 39 39 GLU N N 39 113.797 113.797 120.890 -7.093 18995 2639 1 9 . 1 1 39 39 GLU C C 39 177.689 177.689 174.336 3.353 18995 2640 1 9 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.609 -1.409 18995 2641 1 9 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.069 0.231 18995 2642 1 9 . 1 1 39 39 GLU H H 39 8.522 8.522 8.372 0.150 18995 2643 1 9 . 1 1 40 40 LEU N N 40 119.982 119.982 122.720 -2.738 18995 2644 1 9 . 1 1 40 40 LEU C C 40 177.212 177.212 175.494 1.718 18995 2645 1 9 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.380 0.720 18995 2646 1 9 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.349 -1.649 18995 2647 1 9 . 1 1 40 40 LEU H H 40 7.552 7.552 8.486 -0.934 18995 2648 1 9 . 1 1 41 41 SER N N 41 114.635 114.635 120.663 -6.028 18995 2649 1 9 . 1 1 41 41 SER C C 41 175.688 175.688 172.721 2.967 18995 2650 1 9 . 1 1 41 41 SER CA C 41 60.800 60.800 56.784 4.016 18995 2651 1 9 . 1 1 41 41 SER CB C 41 64.100 64.100 66.992 -2.892 18995 2652 1 9 . 1 1 41 41 SER H H 41 7.592 7.592 9.009 -1.417 18995 2653 1 9 . 1 1 42 42 HIS N N 42 122.397 122.397 115.671 6.726 18995 2654 1 9 . 1 1 42 42 HIS C C 42 175.523 175.523 172.919 2.604 18995 2655 1 9 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.005 3.695 18995 2656 1 9 . 1 1 42 42 HIS H H 42 10.406 10.406 8.274 2.132 18995 2657 1 9 . 1 1 43 43 PHE N N 43 117.618 117.618 122.127 -4.509 18995 2658 1 9 . 1 1 43 43 PHE C C 43 177.431 177.431 175.799 1.632 18995 2659 1 9 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.638 3.162 18995 2660 1 9 . 1 1 43 43 PHE H H 43 7.785 7.785 8.816 -1.031 18995 2661 1 9 . 1 1 44 44 LEU N N 44 120.185 120.185 127.727 -7.542 18995 2662 1 9 . 1 1 44 44 LEU C C 44 175.829 175.829 176.187 -0.358 18995 2663 1 9 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.531 -2.731 18995 2664 1 9 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.555 2.445 18995 2665 1 9 . 1 1 44 44 LEU H H 44 8.533 8.533 8.810 -0.277 18995 2666 1 9 . 1 1 45 45 GLU N N 45 121.499 121.499 118.396 3.103 18995 2667 1 9 . 1 1 45 45 GLU C C 45 175.060 175.060 177.250 -2.190 18995 2668 1 9 . 1 1 45 45 GLU CA C 45 56.600 56.600 57.081 -0.481 18995 2669 1 9 . 1 1 45 45 GLU CB C 45 30.600 30.600 29.061 1.539 18995 2670 1 9 . 1 1 45 45 GLU H H 45 8.130 8.130 8.190 -0.060 18995 2671 1 9 . 1 1 46 46 GLU N N 46 122.480 122.480 124.397 -1.917 18995 2672 1 9 . 1 1 46 46 GLU C C 46 176.861 176.861 175.809 1.052 18995 2673 1 9 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.094 -0.294 18995 2674 1 9 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.212 1.488 18995 2675 1 9 . 1 1 46 46 GLU H H 46 8.123 8.123 8.562 -0.439 18995 2676 1 9 . 1 1 47 47 ILE N N 47 127.680 127.680 119.208 8.472 18995 2677 1 9 . 1 1 47 47 ILE C C 47 175.931 175.931 175.227 0.704 18995 2678 1 9 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.427 0.673 18995 2679 1 9 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.806 0.794 18995 2680 1 9 . 1 1 47 47 ILE H H 47 9.897 9.897 7.764 2.133 18995 2681 1 9 . 1 1 48 48 LYS N N 48 126.846 126.846 123.545 3.301 18995 2682 1 9 . 1 1 48 48 LYS C C 48 175.896 175.896 175.910 -0.014 18995 2683 1 9 . 1 1 48 48 LYS CA C 48 56.600 56.600 53.777 2.823 18995 2684 1 9 . 1 1 48 48 LYS CB C 48 34.700 34.700 34.468 0.232 18995 2685 1 9 . 1 1 48 48 LYS H H 48 9.077 9.077 7.336 1.741 18995 2686 1 9 . 1 1 49 49 GLU C C 49 179.470 179.470 176.695 2.775 18995 2687 1 9 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.393 -1.793 18995 2688 1 9 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.493 2.307 18995 2689 1 9 . 1 1 50 50 GLN N N 50 125.850 125.850 119.716 6.134 18995 2690 1 9 . 1 1 50 50 GLN C C 50 176.883 176.883 177.094 -0.211 18995 2691 1 9 . 1 1 50 50 GLN CA C 50 58.500 58.500 57.236 1.264 18995 2692 1 9 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.523 -0.123 18995 2693 1 9 . 1 1 50 50 GLN H H 50 9.041 9.041 8.786 0.255 18995 2694 1 9 . 1 1 51 51 GLU N N 51 117.404 117.404 112.514 4.890 18995 2695 1 9 . 1 1 51 51 GLU C C 51 178.262 178.262 175.246 3.016 18995 2696 1 9 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.670 4.030 18995 2697 1 9 . 1 1 51 51 GLU CB C 51 29.300 29.300 29.865 -0.565 18995 2698 1 9 . 1 1 51 51 GLU H H 51 9.352 9.352 7.510 1.842 18995 2699 1 9 . 1 1 52 52 VAL N N 52 118.888 118.888 121.966 -3.078 18995 2700 1 9 . 1 1 52 52 VAL C C 52 177.677 177.677 174.643 3.034 18995 2701 1 9 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.688 4.412 18995 2702 1 9 . 1 1 52 52 VAL CB C 52 31.700 31.700 30.796 0.904 18995 2703 1 9 . 1 1 52 52 VAL H H 52 7.247 7.247 7.251 -0.004 18995 2704 1 9 . 1 1 53 53 VAL N N 53 119.906 119.906 123.403 -3.497 18995 2705 1 9 . 1 1 53 53 VAL C C 53 176.742 176.742 174.771 1.971 18995 2706 1 9 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.713 5.487 18995 2707 1 9 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.745 -3.146 18995 2708 1 9 . 1 1 53 53 VAL H H 53 7.264 7.264 8.764 -1.500 18995 2709 1 9 . 1 1 54 54 ASP N N 54 121.483 121.483 121.126 0.357 18995 2710 1 9 . 1 1 54 54 ASP C C 54 178.291 178.291 174.587 3.704 18995 2711 1 9 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.144 6.056 18995 2712 1 9 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.372 -4.372 18995 2713 1 9 . 1 1 54 54 ASP H H 54 8.524 8.524 9.148 -0.624 18995 2714 1 9 . 1 1 55 55 LYS N N 55 120.875 120.875 127.768 -6.893 18995 2715 1 9 . 1 1 55 55 LYS C C 55 179.054 179.054 176.313 2.741 18995 2716 1 9 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.567 3.333 18995 2717 1 9 . 1 1 55 55 LYS CB C 55 32.200 32.200 32.445 -0.245 18995 2718 1 9 . 1 1 55 55 LYS H H 55 7.580 7.580 8.882 -1.302 18995 2719 1 9 . 1 1 56 56 VAL N N 56 121.960 121.960 123.785 -1.825 18995 2720 1 9 . 1 1 56 56 VAL C C 56 178.221 178.221 175.192 3.029 18995 2721 1 9 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.237 5.763 18995 2722 1 9 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.550 -1.850 18995 2723 1 9 . 1 1 56 56 VAL H H 56 8.279 8.279 8.803 -0.524 18995 2724 1 9 . 1 1 57 57 MET N N 57 118.815 118.815 126.408 -7.593 18995 2725 1 9 . 1 1 57 57 MET C C 57 176.888 176.888 175.150 1.738 18995 2726 1 9 . 1 1 57 57 MET CA C 57 57.900 57.900 54.735 3.165 18995 2727 1 9 . 1 1 57 57 MET CB C 57 32.900 32.900 33.010 -0.110 18995 2728 1 9 . 1 1 57 57 MET H H 57 8.467 8.467 8.984 -0.517 18995 2729 1 9 . 1 1 58 58 GLU N N 58 117.894 117.894 125.777 -7.883 18995 2730 1 9 . 1 1 58 58 GLU C C 58 178.510 178.510 176.362 2.148 18995 2731 1 9 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.012 2.388 18995 2732 1 9 . 1 1 58 58 GLU CB C 58 29.800 29.800 31.155 -1.355 18995 2733 1 9 . 1 1 58 58 GLU H H 58 8.073 8.073 8.748 -0.675 18995 2734 1 9 . 1 1 59 59 THR N N 59 113.244 113.244 113.544 -0.300 18995 2735 1 9 . 1 1 59 59 THR C C 59 174.778 174.778 172.926 1.852 18995 2736 1 9 . 1 1 59 59 THR CA C 59 65.600 65.600 59.930 5.670 18995 2737 1 9 . 1 1 59 59 THR CB C 59 69.600 69.600 70.935 -1.335 18995 2738 1 9 . 1 1 59 59 THR H H 59 7.739 7.739 7.510 0.229 18995 2739 1 9 . 1 1 60 60 LEU N N 60 119.636 119.636 124.100 -4.464 18995 2740 1 9 . 1 1 60 60 LEU C C 60 177.561 177.561 177.208 0.353 18995 2741 1 9 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.247 -0.647 18995 2742 1 9 . 1 1 60 60 LEU CB C 60 43.300 43.300 40.886 2.414 18995 2743 1 9 . 1 1 60 60 LEU H H 60 7.643 7.643 8.698 -1.055 18995 2744 1 9 . 1 1 61 61 ASP N N 61 117.424 117.424 125.017 -7.593 18995 2745 1 9 . 1 1 61 61 ASP C C 61 175.915 175.915 174.437 1.478 18995 2746 1 9 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.799 0.801 18995 2747 1 9 . 1 1 61 61 ASP H H 61 7.984 7.984 8.633 -0.649 18995 2748 1 9 . 1 1 62 62 ASN N N 62 127.650 127.650 122.090 5.560 18995 2749 1 9 . 1 1 62 62 ASN C C 62 175.905 175.905 174.240 1.665 18995 2750 1 9 . 1 1 62 62 ASN CA C 62 54.900 54.900 52.776 2.124 18995 2751 1 9 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.511 0.889 18995 2752 1 9 . 1 1 62 62 ASN H H 62 9.032 9.032 8.071 0.961 18995 2753 1 9 . 1 1 63 63 ASP N N 63 116.676 116.676 123.387 -6.711 18995 2754 1 9 . 1 1 63 63 ASP C C 63 177.604 177.604 175.053 2.551 18995 2755 1 9 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.569 2.831 18995 2756 1 9 . 1 1 63 63 ASP CB C 63 40.200 40.200 45.039 -4.839 18995 2757 1 9 . 1 1 63 63 ASP H H 63 8.302 8.302 9.495 -1.193 18995 2758 1 9 . 1 1 64 64 GLY N N 64 109.334 109.334 110.162 -0.828 18995 2759 1 9 . 1 1 64 64 GLY C C 64 174.834 174.834 174.782 0.052 18995 2760 1 9 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.368 4.332 18995 2761 1 9 . 1 1 64 64 GLY H H 64 7.681 7.681 9.042 -1.361 18995 2762 1 9 . 1 1 65 65 ASP N N 65 120.960 120.960 126.408 -5.448 18995 2763 1 9 . 1 1 65 65 ASP C C 65 177.010 177.010 174.727 2.283 18995 2764 1 9 . 1 1 65 65 ASP CA C 65 53.800 53.800 54.118 -0.318 18995 2765 1 9 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.728 -0.428 18995 2766 1 9 . 1 1 65 65 ASP H H 65 8.386 8.386 9.329 -0.943 18995 2767 1 9 . 1 1 66 66 GLY N N 66 113.875 113.875 117.447 -3.572 18995 2768 1 9 . 1 1 66 66 GLY C C 66 172.343 172.343 174.187 -1.844 18995 2769 1 9 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.942 2.958 18995 2770 1 9 . 1 1 66 66 GLY H H 66 10.212 10.212 8.959 1.253 18995 2771 1 9 . 1 1 67 67 GLU N N 67 118.701 118.701 125.471 -6.770 18995 2772 1 9 . 1 1 67 67 GLU C C 67 174.711 174.711 176.322 -1.611 18995 2773 1 9 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.873 -0.673 18995 2774 1 9 . 1 1 67 67 GLU H H 67 7.949 7.949 8.991 -1.042 18995 2775 1 9 . 1 1 68 68 CYS N N 68 124.753 124.753 126.301 -1.548 18995 2776 1 9 . 1 1 68 68 CYS C C 68 174.411 174.411 175.679 -1.268 18995 2777 1 9 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.162 -5.162 18995 2778 1 9 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.827 0.273 18995 2779 1 9 . 1 1 68 68 CYS H H 68 9.486 9.486 8.818 0.668 18995 2780 1 9 . 1 1 69 69 ASP N N 69 132.376 132.376 118.740 13.636 18995 2781 1 9 . 1 1 69 69 ASP C C 69 175.307 175.307 176.611 -1.304 18995 2782 1 9 . 1 1 69 69 ASP CA C 69 53.300 53.300 55.806 -2.506 18995 2783 1 9 . 1 1 69 69 ASP CB C 69 40.600 40.600 41.265 -0.665 18995 2784 1 9 . 1 1 69 69 ASP H H 69 9.911 9.911 8.067 1.844 18995 2785 1 9 . 1 1 70 70 PHE N N 70 119.131 119.131 119.516 -0.385 18995 2786 1 9 . 1 1 70 70 PHE C C 70 176.482 176.482 174.875 1.607 18995 2787 1 9 . 1 1 70 70 PHE CA C 70 62.900 62.900 57.840 5.060 18995 2788 1 9 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.070 -0.970 18995 2789 1 9 . 1 1 70 70 PHE H H 70 9.075 9.075 8.071 1.004 18995 2790 1 9 . 1 1 71 71 GLN N N 71 119.323 119.323 116.494 2.829 18995 2791 1 9 . 1 1 71 71 GLN C C 71 179.517 179.517 174.112 5.405 18995 2792 1 9 . 1 1 71 71 GLN CA C 71 60.100 60.100 56.965 3.135 18995 2793 1 9 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.485 0.715 18995 2794 1 9 . 1 1 71 71 GLN H H 71 8.047 8.047 8.282 -0.235 18995 2795 1 9 . 1 1 72 72 GLU N N 72 123.228 123.228 115.393 7.835 18995 2796 1 9 . 1 1 72 72 GLU C C 72 179.337 179.337 175.070 4.267 18995 2797 1 9 . 1 1 72 72 GLU CA C 72 58.900 58.900 54.799 4.101 18995 2798 1 9 . 1 1 72 72 GLU CB C 72 30.300 30.300 32.914 -2.614 18995 2799 1 9 . 1 1 72 72 GLU H H 72 9.061 9.061 7.190 1.871 18995 2800 1 9 . 1 1 73 73 PHE N N 73 123.155 123.155 118.305 4.850 18995 2801 1 9 . 1 1 73 73 PHE C C 73 176.497 176.497 175.442 1.055 18995 2802 1 9 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.255 3.545 18995 2803 1 9 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.229 -0.529 18995 2804 1 9 . 1 1 73 73 PHE H H 73 8.863 8.863 9.245 -0.382 18995 2805 1 9 . 1 1 74 74 MET N N 74 119.622 119.622 122.898 -3.276 18995 2806 1 9 . 1 1 74 74 MET C C 74 178.476 178.476 174.895 3.581 18995 2807 1 9 . 1 1 74 74 MET CA C 74 56.200 56.200 55.780 0.420 18995 2808 1 9 . 1 1 74 74 MET CB C 74 30.400 30.400 33.668 -3.268 18995 2809 1 9 . 1 1 74 74 MET H H 74 8.217 8.217 9.084 -0.867 18995 2810 1 9 . 1 1 75 75 ALA N N 75 123.073 123.073 127.780 -4.707 18995 2811 1 9 . 1 1 75 75 ALA C C 75 180.129 180.129 175.093 5.036 18995 2812 1 9 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.591 4.609 18995 2813 1 9 . 1 1 75 75 ALA H H 75 7.490 7.490 9.264 -1.774 18995 2814 1 9 . 1 1 76 76 PHE N N 76 122.171 122.171 121.411 0.760 18995 2815 1 9 . 1 1 76 76 PHE C C 76 176.365 176.365 174.780 1.585 18995 2816 1 9 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.228 2.572 18995 2817 1 9 . 1 1 76 76 PHE CB C 76 38.600 38.600 43.089 -4.489 18995 2818 1 9 . 1 1 76 76 PHE H H 76 7.676 7.676 8.304 -0.628 18995 2819 1 9 . 1 1 77 77 VAL N N 77 119.765 119.765 125.134 -5.369 18995 2820 1 9 . 1 1 77 77 VAL C C 77 179.175 179.175 177.697 1.478 18995 2821 1 9 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.899 5.901 18995 2822 1 9 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.174 -0.974 18995 2823 1 9 . 1 1 77 77 VAL H H 77 8.498 8.498 8.914 -0.416 18995 2824 1 9 . 1 1 78 78 ALA N N 78 123.880 123.880 121.907 1.973 18995 2825 1 9 . 1 1 78 78 ALA C C 78 178.630 178.630 177.573 1.057 18995 2826 1 9 . 1 1 78 78 ALA CA C 78 56.100 56.100 55.179 0.921 18995 2827 1 9 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.746 -0.446 18995 2828 1 9 . 1 1 78 78 ALA H H 78 8.193 8.193 8.872 -0.679 18995 2829 1 9 . 1 1 79 79 MET N N 79 120.537 120.537 113.520 7.017 18995 2830 1 9 . 1 1 79 79 MET C C 79 178.430 178.430 176.990 1.440 18995 2831 1 9 . 1 1 79 79 MET CA C 79 59.500 59.500 54.444 5.056 18995 2832 1 9 . 1 1 79 79 MET CB C 79 32.800 32.800 32.172 0.628 18995 2833 1 9 . 1 1 79 79 MET H H 79 7.883 7.883 7.874 0.009 18995 2834 1 9 . 1 1 80 80 VAL N N 80 120.374 120.374 118.983 1.391 18995 2835 1 9 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.778 4.422 18995 2836 1 9 . 1 1 80 80 VAL H H 80 8.299 8.299 7.919 0.380 18995 2837 1 9 . 1 1 82 82 THR C C 82 175.144 175.144 172.880 2.264 18995 2838 1 9 . 1 1 82 82 THR CA C 82 65.800 65.800 61.444 4.356 18995 2839 1 9 . 1 1 83 83 ALA N N 83 123.244 123.244 122.436 0.808 18995 2840 1 9 . 1 1 83 83 ALA C C 83 178.574 178.574 175.062 3.512 18995 2841 1 9 . 1 1 83 83 ALA CA C 83 53.900 53.900 50.335 3.565 18995 2842 1 9 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.487 -2.487 18995 2843 1 9 . 1 1 83 83 ALA H H 83 7.587 7.587 8.686 -1.099 18995 2844 1 9 . 1 1 84 84 CYS N N 84 116.910 116.910 117.101 -0.191 18995 2845 1 9 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.209 2.591 18995 2846 1 9 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.333 -1.433 18995 2847 1 9 . 1 1 84 84 CYS H H 84 7.788 7.788 8.579 -0.791 18995 2848 1 9 . 1 1 86 86 GLU CA C 86 58.600 58.600 56.808 1.792 18995 2849 1 9 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.280 -0.880 18995 2850 1 9 . 1 1 87 87 PHE N N 87 118.550 118.550 119.818 -1.268 18995 2851 1 9 . 1 1 87 87 PHE C C 87 175.597 175.597 174.978 0.619 18995 2852 1 9 . 1 1 87 87 PHE CA C 87 59.100 59.100 56.971 2.129 18995 2853 1 9 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.886 -1.486 18995 2854 1 9 . 1 1 87 87 PHE H H 87 7.838 7.838 7.726 0.112 18995 2855 1 9 . 1 1 88 88 PHE N N 88 118.438 118.438 124.077 -5.639 18995 2856 1 9 . 1 1 88 88 PHE C C 88 175.241 175.241 175.277 -0.036 18995 2857 1 9 . 1 1 88 88 PHE CA C 88 58.200 58.200 57.133 1.067 18995 2858 1 9 . 1 1 88 88 PHE CB C 88 39.700 39.700 36.564 3.136 18995 2859 1 9 . 1 1 88 88 PHE H H 88 7.718 7.718 8.404 -0.686 18995 2860 1 9 . 1 1 89 89 GLU N N 89 121.366 121.366 125.073 -3.707 18995 2861 1 9 . 1 1 89 89 GLU C C 89 175.437 175.437 177.570 -2.133 18995 2862 1 9 . 1 1 89 89 GLU CA C 89 56.600 56.600 56.103 0.497 18995 2863 1 9 . 1 1 89 89 GLU CB C 89 30.300 30.300 30.639 -0.339 18995 2864 1 9 . 1 1 89 89 GLU H H 89 7.959 7.959 7.695 0.264 18995 2865 1 9 . 1 1 90 90 HIS N N 90 120.349 120.349 118.512 1.837 18995 2866 1 9 . 1 1 90 90 HIS C C 90 173.652 173.652 176.063 -2.411 18995 2867 1 9 . 1 1 90 90 HIS CA C 90 55.800 55.800 58.883 -3.083 18995 2868 1 9 . 1 1 90 90 HIS CB C 90 30.100 30.100 29.284 0.816 18995 2869 1 9 . 1 1 90 90 HIS H H 90 8.116 8.116 8.853 -0.737 18995 2870 1 9 . 1 1 91 91 GLU N N 91 127.965 127.965 116.254 11.711 18995 2871 1 9 . 1 1 91 91 GLU H H 91 8.235 8.235 8.269 -0.034 18995 2872 1 10 . 1 1 20 20 ARG C C 20 177.097 177.097 175.085 2.012 18995 2873 1 10 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.751 4.349 18995 2874 1 10 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.778 0.222 18995 2875 1 10 . 1 1 21 21 GLU N N 21 116.519 116.519 122.178 -5.659 18995 2876 1 10 . 1 1 21 21 GLU C C 21 175.055 175.055 175.796 -0.741 18995 2877 1 10 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.353 1.247 18995 2878 1 10 . 1 1 21 21 GLU CB C 21 35.700 35.700 33.863 1.837 18995 2879 1 10 . 1 1 21 21 GLU H H 21 9.468 9.468 9.159 0.309 18995 2880 1 10 . 1 1 22 22 GLY N N 22 122.197 122.197 111.168 11.029 18995 2881 1 10 . 1 1 22 22 GLY C C 22 180.081 180.081 174.290 5.791 18995 2882 1 10 . 1 1 22 22 GLY H H 22 10.096 10.096 9.198 0.898 18995 2883 1 10 . 1 1 23 23 ASP N N 23 113.764 113.764 126.364 -12.600 18995 2884 1 10 . 1 1 23 23 ASP C C 23 178.957 178.957 175.411 3.546 18995 2885 1 10 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.808 1.692 18995 2886 1 10 . 1 1 23 23 ASP H H 23 8.115 8.115 9.314 -1.199 18995 2887 1 10 . 1 1 24 24 LYS N N 24 131.954 131.954 127.754 4.200 18995 2888 1 10 . 1 1 24 24 LYS C C 24 176.539 176.539 175.081 1.458 18995 2889 1 10 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.196 3.004 18995 2890 1 10 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.415 -1.715 18995 2891 1 10 . 1 1 24 24 LYS H H 24 9.484 9.484 9.044 0.440 18995 2892 1 10 . 1 1 25 25 HIS N N 25 119.313 119.313 127.833 -8.520 18995 2893 1 10 . 1 1 25 25 HIS C C 25 172.815 172.815 174.385 -1.570 18995 2894 1 10 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.343 1.157 18995 2895 1 10 . 1 1 25 25 HIS CB C 25 30.800 30.800 32.382 -1.582 18995 2896 1 10 . 1 1 25 25 HIS H H 25 9.589 9.589 8.782 0.807 18995 2897 1 10 . 1 1 26 26 LYS N N 26 115.394 115.394 125.392 -9.998 18995 2898 1 10 . 1 1 26 26 LYS C C 26 174.608 174.608 175.327 -0.719 18995 2899 1 10 . 1 1 26 26 LYS CA C 26 55.400 55.400 56.756 -1.356 18995 2900 1 10 . 1 1 26 26 LYS CB C 26 39.100 39.100 32.198 6.902 18995 2901 1 10 . 1 1 26 26 LYS H H 26 7.095 7.095 7.936 -0.841 18995 2902 1 10 . 1 1 27 27 LEU N N 27 126.263 126.263 120.184 6.079 18995 2903 1 10 . 1 1 27 27 LEU C C 27 175.637 175.637 176.714 -1.077 18995 2904 1 10 . 1 1 27 27 LEU CA C 27 52.800 52.800 53.908 -1.108 18995 2905 1 10 . 1 1 27 27 LEU CB C 27 43.700 43.700 41.911 1.789 18995 2906 1 10 . 1 1 27 27 LEU H H 27 9.595 9.595 7.032 2.563 18995 2907 1 10 . 1 1 28 28 LYS N N 28 124.436 124.436 125.248 -0.812 18995 2908 1 10 . 1 1 28 28 LYS C C 28 177.395 177.395 176.198 1.197 18995 2909 1 10 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.662 -1.462 18995 2910 1 10 . 1 1 28 28 LYS H H 28 9.711 9.711 8.455 1.256 18995 2911 1 10 . 1 1 29 29 LYS N N 29 121.980 121.980 118.874 3.106 18995 2912 1 10 . 1 1 29 29 LYS C C 29 177.400 177.400 174.633 2.767 18995 2913 1 10 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.836 6.864 18995 2914 1 10 . 1 1 29 29 LYS H H 29 9.084 9.084 7.558 1.526 18995 2915 1 10 . 1 1 30 30 SER N N 30 111.519 111.519 112.996 -1.477 18995 2916 1 10 . 1 1 30 30 SER C C 30 176.950 176.950 173.183 3.767 18995 2917 1 10 . 1 1 30 30 SER CA C 30 61.100 61.100 56.552 4.548 18995 2918 1 10 . 1 1 30 30 SER CB C 30 61.300 61.300 66.049 -4.749 18995 2919 1 10 . 1 1 30 30 SER H H 30 8.267 8.267 7.094 1.173 18995 2920 1 10 . 1 1 31 31 GLU N N 31 123.792 123.792 120.241 3.551 18995 2921 1 10 . 1 1 31 31 GLU C C 31 179.463 179.463 176.816 2.647 18995 2922 1 10 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.557 4.543 18995 2923 1 10 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.442 -2.242 18995 2924 1 10 . 1 1 31 31 GLU H H 31 6.603 6.603 9.682 -3.079 18995 2925 1 10 . 1 1 32 32 LEU N N 32 121.954 121.954 124.833 -2.879 18995 2926 1 10 . 1 1 32 32 LEU C C 32 176.995 176.995 175.801 1.194 18995 2927 1 10 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.379 2.521 18995 2928 1 10 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.005 0.295 18995 2929 1 10 . 1 1 32 32 LEU H H 32 8.936 8.936 9.042 -0.106 18995 2930 1 10 . 1 1 33 33 LYS N N 33 118.576 118.576 128.665 -10.089 18995 2931 1 10 . 1 1 33 33 LYS C C 33 176.714 176.714 175.245 1.469 18995 2932 1 10 . 1 1 33 33 LYS CA C 33 60.500 60.500 55.012 5.488 18995 2933 1 10 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.159 -1.259 18995 2934 1 10 . 1 1 33 33 LYS H H 33 8.390 8.390 9.214 -0.824 18995 2935 1 10 . 1 1 34 34 GLU N N 34 116.152 116.152 128.153 -12.001 18995 2936 1 10 . 1 1 34 34 GLU C C 34 177.689 177.689 175.516 2.173 18995 2937 1 10 . 1 1 34 34 GLU CA C 34 59.400 59.400 56.026 3.374 18995 2938 1 10 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.636 -1.236 18995 2939 1 10 . 1 1 34 34 GLU H H 34 7.326 7.326 8.312 -0.986 18995 2940 1 10 . 1 1 35 35 LEU N N 35 123.632 123.632 127.655 -4.023 18995 2941 1 10 . 1 1 35 35 LEU C C 35 178.845 178.845 176.559 2.286 18995 2942 1 10 . 1 1 35 35 LEU CA C 35 59.800 59.800 51.908 7.892 18995 2943 1 10 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.047 -1.046 18995 2944 1 10 . 1 1 35 35 LEU H H 35 7.978 7.978 8.774 -0.796 18995 2945 1 10 . 1 1 36 36 ILE C C 36 178.328 178.328 175.875 2.453 18995 2946 1 10 . 1 1 36 36 ILE CA C 36 66.300 66.300 63.145 3.155 18995 2947 1 10 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.176 0.524 18995 2948 1 10 . 1 1 37 37 ASN N N 37 118.242 118.242 112.594 5.648 18995 2949 1 10 . 1 1 37 37 ASN C C 37 177.052 177.052 176.549 0.503 18995 2950 1 10 . 1 1 37 37 ASN CA C 37 54.800 54.800 53.100 1.700 18995 2951 1 10 . 1 1 37 37 ASN CB C 37 37.500 37.500 38.047 -0.547 18995 2952 1 10 . 1 1 37 37 ASN H H 37 8.336 8.336 8.370 -0.034 18995 2953 1 10 . 1 1 38 38 ASN N N 38 114.845 114.845 119.063 -4.218 18995 2954 1 10 . 1 1 38 38 ASN C C 38 176.578 176.578 174.509 2.069 18995 2955 1 10 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.773 2.427 18995 2956 1 10 . 1 1 38 38 ASN H H 38 8.213 8.213 8.039 0.174 18995 2957 1 10 . 1 1 39 39 GLU N N 39 113.797 113.797 121.225 -7.428 18995 2958 1 10 . 1 1 39 39 GLU C C 39 177.689 177.689 174.380 3.309 18995 2959 1 10 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.568 -1.368 18995 2960 1 10 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.038 0.262 18995 2961 1 10 . 1 1 39 39 GLU H H 39 8.522 8.522 8.237 0.285 18995 2962 1 10 . 1 1 40 40 LEU N N 40 119.982 119.982 123.534 -3.552 18995 2963 1 10 . 1 1 40 40 LEU C C 40 177.212 177.212 175.565 1.647 18995 2964 1 10 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.310 0.790 18995 2965 1 10 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.032 -1.333 18995 2966 1 10 . 1 1 40 40 LEU H H 40 7.552 7.552 8.504 -0.952 18995 2967 1 10 . 1 1 41 41 SER N N 41 114.635 114.635 120.183 -5.548 18995 2968 1 10 . 1 1 41 41 SER C C 41 175.688 175.688 172.635 3.053 18995 2969 1 10 . 1 1 41 41 SER CA C 41 60.800 60.800 56.916 3.884 18995 2970 1 10 . 1 1 41 41 SER CB C 41 64.100 64.100 66.525 -2.425 18995 2971 1 10 . 1 1 41 41 SER H H 41 7.592 7.592 8.994 -1.402 18995 2972 1 10 . 1 1 42 42 HIS N N 42 122.397 122.397 115.752 6.645 18995 2973 1 10 . 1 1 42 42 HIS C C 42 175.523 175.523 172.723 2.800 18995 2974 1 10 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.286 3.414 18995 2975 1 10 . 1 1 42 42 HIS H H 42 10.406 10.406 8.262 2.144 18995 2976 1 10 . 1 1 43 43 PHE N N 43 117.618 117.618 120.435 -2.817 18995 2977 1 10 . 1 1 43 43 PHE C C 43 177.431 177.431 175.296 2.135 18995 2978 1 10 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.788 3.012 18995 2979 1 10 . 1 1 43 43 PHE H H 43 7.785 7.785 8.308 -0.523 18995 2980 1 10 . 1 1 44 44 LEU N N 44 120.185 120.185 123.448 -3.263 18995 2981 1 10 . 1 1 44 44 LEU C C 44 175.829 175.829 176.397 -0.568 18995 2982 1 10 . 1 1 44 44 LEU CA C 44 53.800 53.800 55.621 -1.821 18995 2983 1 10 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.929 2.071 18995 2984 1 10 . 1 1 44 44 LEU H H 44 8.533 8.533 8.650 -0.117 18995 2985 1 10 . 1 1 45 45 GLU N N 45 121.499 121.499 119.355 2.144 18995 2986 1 10 . 1 1 45 45 GLU C C 45 175.060 175.060 177.274 -2.214 18995 2987 1 10 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.975 -0.375 18995 2988 1 10 . 1 1 45 45 GLU CB C 45 30.600 30.600 28.597 2.003 18995 2989 1 10 . 1 1 45 45 GLU H H 45 8.130 8.130 8.213 -0.083 18995 2990 1 10 . 1 1 46 46 GLU N N 46 122.480 122.480 125.706 -3.226 18995 2991 1 10 . 1 1 46 46 GLU C C 46 176.861 176.861 175.997 0.864 18995 2992 1 10 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.681 -0.881 18995 2993 1 10 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.213 1.487 18995 2994 1 10 . 1 1 46 46 GLU H H 46 8.123 8.123 8.660 -0.537 18995 2995 1 10 . 1 1 47 47 ILE N N 47 127.680 127.680 118.377 9.303 18995 2996 1 10 . 1 1 47 47 ILE C C 47 175.931 175.931 175.790 0.141 18995 2997 1 10 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.969 0.131 18995 2998 1 10 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.731 0.869 18995 2999 1 10 . 1 1 47 47 ILE H H 47 9.897 9.897 7.745 2.152 18995 3000 1 10 . 1 1 48 48 LYS N N 48 126.846 126.846 124.096 2.750 18995 3001 1 10 . 1 1 48 48 LYS C C 48 175.896 175.896 175.913 -0.017 18995 3002 1 10 . 1 1 48 48 LYS CA C 48 56.600 56.600 53.950 2.650 18995 3003 1 10 . 1 1 48 48 LYS CB C 48 34.700 34.700 34.216 0.484 18995 3004 1 10 . 1 1 48 48 LYS H H 48 9.077 9.077 7.418 1.659 18995 3005 1 10 . 1 1 49 49 GLU C C 49 179.470 179.470 176.905 2.565 18995 3006 1 10 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.362 -1.762 18995 3007 1 10 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.657 2.143 18995 3008 1 10 . 1 1 50 50 GLN N N 50 125.850 125.850 118.898 6.952 18995 3009 1 10 . 1 1 50 50 GLN C C 50 176.883 176.883 176.574 0.309 18995 3010 1 10 . 1 1 50 50 GLN CA C 50 58.500 58.500 58.529 -0.029 18995 3011 1 10 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.458 -0.058 18995 3012 1 10 . 1 1 50 50 GLN H H 50 9.041 9.041 8.815 0.226 18995 3013 1 10 . 1 1 51 51 GLU N N 51 117.404 117.404 113.104 4.300 18995 3014 1 10 . 1 1 51 51 GLU C C 51 178.262 178.262 175.314 2.948 18995 3015 1 10 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.833 3.867 18995 3016 1 10 . 1 1 51 51 GLU CB C 51 29.300 29.300 29.947 -0.647 18995 3017 1 10 . 1 1 51 51 GLU H H 51 9.352 9.352 7.509 1.843 18995 3018 1 10 . 1 1 52 52 VAL N N 52 118.888 118.888 122.285 -3.397 18995 3019 1 10 . 1 1 52 52 VAL C C 52 177.677 177.677 174.940 2.737 18995 3020 1 10 . 1 1 52 52 VAL CA C 52 66.100 66.100 62.197 3.903 18995 3021 1 10 . 1 1 52 52 VAL CB C 52 31.700 31.700 31.394 0.306 18995 3022 1 10 . 1 1 52 52 VAL H H 52 7.247 7.247 7.191 0.056 18995 3023 1 10 . 1 1 53 53 VAL N N 53 119.906 119.906 123.280 -3.374 18995 3024 1 10 . 1 1 53 53 VAL C C 53 176.742 176.742 174.655 2.087 18995 3025 1 10 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.473 5.727 18995 3026 1 10 . 1 1 53 53 VAL CB C 53 31.600 31.600 35.039 -3.439 18995 3027 1 10 . 1 1 53 53 VAL H H 53 7.264 7.264 8.941 -1.677 18995 3028 1 10 . 1 1 54 54 ASP N N 54 121.483 121.483 120.567 0.916 18995 3029 1 10 . 1 1 54 54 ASP C C 54 178.291 178.291 174.782 3.509 18995 3030 1 10 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.282 5.918 18995 3031 1 10 . 1 1 54 54 ASP CB C 54 40.000 40.000 43.627 -3.627 18995 3032 1 10 . 1 1 54 54 ASP H H 54 8.524 8.524 9.060 -0.536 18995 3033 1 10 . 1 1 55 55 LYS N N 55 120.875 120.875 128.101 -7.226 18995 3034 1 10 . 1 1 55 55 LYS C C 55 179.054 179.054 176.114 2.940 18995 3035 1 10 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.445 3.455 18995 3036 1 10 . 1 1 55 55 LYS CB C 55 32.200 32.200 31.620 0.580 18995 3037 1 10 . 1 1 55 55 LYS H H 55 7.580 7.580 8.950 -1.370 18995 3038 1 10 . 1 1 56 56 VAL N N 56 121.960 121.960 122.518 -0.558 18995 3039 1 10 . 1 1 56 56 VAL C C 56 178.221 178.221 175.353 2.868 18995 3040 1 10 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.362 5.638 18995 3041 1 10 . 1 1 56 56 VAL CB C 56 31.700 31.700 32.880 -1.180 18995 3042 1 10 . 1 1 56 56 VAL H H 56 8.279 8.279 7.840 0.439 18995 3043 1 10 . 1 1 57 57 MET N N 57 118.815 118.815 126.788 -7.973 18995 3044 1 10 . 1 1 57 57 MET C C 57 176.888 176.888 175.357 1.531 18995 3045 1 10 . 1 1 57 57 MET CA C 57 57.900 57.900 55.045 2.855 18995 3046 1 10 . 1 1 57 57 MET CB C 57 32.900 32.900 33.007 -0.107 18995 3047 1 10 . 1 1 57 57 MET H H 57 8.467 8.467 8.953 -0.486 18995 3048 1 10 . 1 1 58 58 GLU N N 58 117.894 117.894 125.030 -7.136 18995 3049 1 10 . 1 1 58 58 GLU C C 58 178.510 178.510 176.383 2.127 18995 3050 1 10 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.138 2.262 18995 3051 1 10 . 1 1 58 58 GLU CB C 58 29.800 29.800 31.066 -1.266 18995 3052 1 10 . 1 1 58 58 GLU H H 58 8.073 8.073 8.775 -0.702 18995 3053 1 10 . 1 1 59 59 THR N N 59 113.244 113.244 112.915 0.329 18995 3054 1 10 . 1 1 59 59 THR C C 59 174.778 174.778 172.572 2.206 18995 3055 1 10 . 1 1 59 59 THR CA C 59 65.600 65.600 60.061 5.539 18995 3056 1 10 . 1 1 59 59 THR CB C 59 69.600 69.600 71.270 -1.670 18995 3057 1 10 . 1 1 59 59 THR H H 59 7.739 7.739 7.506 0.233 18995 3058 1 10 . 1 1 60 60 LEU N N 60 119.636 119.636 123.162 -3.526 18995 3059 1 10 . 1 1 60 60 LEU C C 60 177.561 177.561 177.257 0.304 18995 3060 1 10 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.663 -1.063 18995 3061 1 10 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.131 2.169 18995 3062 1 10 . 1 1 60 60 LEU H H 60 7.643 7.643 8.668 -1.025 18995 3063 1 10 . 1 1 61 61 ASP N N 61 117.424 117.424 125.017 -7.593 18995 3064 1 10 . 1 1 61 61 ASP C C 61 175.915 175.915 174.484 1.431 18995 3065 1 10 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.954 0.646 18995 3066 1 10 . 1 1 61 61 ASP H H 61 7.984 7.984 8.642 -0.658 18995 3067 1 10 . 1 1 62 62 ASN N N 62 127.650 127.650 121.629 6.021 18995 3068 1 10 . 1 1 62 62 ASN C C 62 175.905 175.905 174.496 1.409 18995 3069 1 10 . 1 1 62 62 ASN CA C 62 54.900 54.900 52.536 2.364 18995 3070 1 10 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.300 1.100 18995 3071 1 10 . 1 1 62 62 ASN H H 62 9.032 9.032 7.945 1.087 18995 3072 1 10 . 1 1 63 63 ASP N N 63 116.676 116.676 122.787 -6.111 18995 3073 1 10 . 1 1 63 63 ASP C C 63 177.604 177.604 174.876 2.728 18995 3074 1 10 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.983 2.417 18995 3075 1 10 . 1 1 63 63 ASP CB C 63 40.200 40.200 44.793 -4.593 18995 3076 1 10 . 1 1 63 63 ASP H H 63 8.302 8.302 9.635 -1.333 18995 3077 1 10 . 1 1 64 64 GLY N N 64 109.334 109.334 111.246 -1.912 18995 3078 1 10 . 1 1 64 64 GLY C C 64 174.834 174.834 174.720 0.114 18995 3079 1 10 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.775 3.925 18995 3080 1 10 . 1 1 64 64 GLY H H 64 7.681 7.681 8.995 -1.314 18995 3081 1 10 . 1 1 65 65 ASP N N 65 120.960 120.960 127.207 -6.247 18995 3082 1 10 . 1 1 65 65 ASP C C 65 177.010 177.010 174.664 2.346 18995 3083 1 10 . 1 1 65 65 ASP CA C 65 53.800 53.800 54.314 -0.514 18995 3084 1 10 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.709 -0.409 18995 3085 1 10 . 1 1 65 65 ASP H H 65 8.386 8.386 9.241 -0.855 18995 3086 1 10 . 1 1 66 66 GLY N N 66 113.875 113.875 117.169 -3.294 18995 3087 1 10 . 1 1 66 66 GLY C C 66 172.343 172.343 173.937 -1.594 18995 3088 1 10 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.763 3.137 18995 3089 1 10 . 1 1 66 66 GLY H H 66 10.212 10.212 8.388 1.824 18995 3090 1 10 . 1 1 67 67 GLU N N 67 118.701 118.701 125.082 -6.381 18995 3091 1 10 . 1 1 67 67 GLU C C 67 174.711 174.711 176.348 -1.637 18995 3092 1 10 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.861 -0.660 18995 3093 1 10 . 1 1 67 67 GLU H H 67 7.949 7.949 8.830 -0.881 18995 3094 1 10 . 1 1 68 68 CYS N N 68 124.753 124.753 126.428 -1.675 18995 3095 1 10 . 1 1 68 68 CYS C C 68 174.411 174.411 175.773 -1.362 18995 3096 1 10 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.611 -5.611 18995 3097 1 10 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.969 0.131 18995 3098 1 10 . 1 1 68 68 CYS H H 68 9.486 9.486 8.430 1.056 18995 3099 1 10 . 1 1 69 69 ASP N N 69 132.376 132.376 117.752 14.624 18995 3100 1 10 . 1 1 69 69 ASP C C 69 175.307 175.307 175.479 -0.172 18995 3101 1 10 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.712 -1.412 18995 3102 1 10 . 1 1 69 69 ASP CB C 69 40.600 40.600 40.702 -0.102 18995 3103 1 10 . 1 1 69 69 ASP H H 69 9.911 9.911 8.328 1.583 18995 3104 1 10 . 1 1 70 70 PHE N N 70 119.131 119.131 119.361 -0.230 18995 3105 1 10 . 1 1 70 70 PHE C C 70 176.482 176.482 175.252 1.230 18995 3106 1 10 . 1 1 70 70 PHE CA C 70 62.900 62.900 57.939 4.961 18995 3107 1 10 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.538 -1.438 18995 3108 1 10 . 1 1 70 70 PHE H H 70 9.075 9.075 7.347 1.728 18995 3109 1 10 . 1 1 71 71 GLN N N 71 119.323 119.323 118.305 1.018 18995 3110 1 10 . 1 1 71 71 GLN C C 71 179.517 179.517 173.954 5.563 18995 3111 1 10 . 1 1 71 71 GLN CA C 71 60.100 60.100 56.992 3.108 18995 3112 1 10 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.229 0.971 18995 3113 1 10 . 1 1 71 71 GLN H H 71 8.047 8.047 8.375 -0.328 18995 3114 1 10 . 1 1 72 72 GLU N N 72 123.228 123.228 115.760 7.468 18995 3115 1 10 . 1 1 72 72 GLU C C 72 179.337 179.337 175.008 4.329 18995 3116 1 10 . 1 1 72 72 GLU CA C 72 58.900 58.900 55.064 3.836 18995 3117 1 10 . 1 1 72 72 GLU CB C 72 30.300 30.300 33.506 -3.206 18995 3118 1 10 . 1 1 72 72 GLU H H 72 9.061 9.061 7.297 1.764 18995 3119 1 10 . 1 1 73 73 PHE N N 73 123.155 123.155 120.069 3.086 18995 3120 1 10 . 1 1 73 73 PHE C C 73 176.497 176.497 175.480 1.017 18995 3121 1 10 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.998 2.802 18995 3122 1 10 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.618 -0.918 18995 3123 1 10 . 1 1 73 73 PHE H H 73 8.863 8.863 9.422 -0.559 18995 3124 1 10 . 1 1 74 74 MET N N 74 119.622 119.622 123.074 -3.452 18995 3125 1 10 . 1 1 74 74 MET C C 74 178.476 178.476 174.640 3.836 18995 3126 1 10 . 1 1 74 74 MET CA C 74 56.200 56.200 55.698 0.502 18995 3127 1 10 . 1 1 74 74 MET CB C 74 30.400 30.400 33.708 -3.308 18995 3128 1 10 . 1 1 74 74 MET H H 74 8.217 8.217 9.040 -0.823 18995 3129 1 10 . 1 1 75 75 ALA N N 75 123.073 123.073 128.339 -5.266 18995 3130 1 10 . 1 1 75 75 ALA C C 75 180.129 180.129 175.189 4.940 18995 3131 1 10 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.422 4.778 18995 3132 1 10 . 1 1 75 75 ALA H H 75 7.490 7.490 9.285 -1.795 18995 3133 1 10 . 1 1 76 76 PHE N N 76 122.171 122.171 123.516 -1.345 18995 3134 1 10 . 1 1 76 76 PHE C C 76 176.365 176.365 175.104 1.261 18995 3135 1 10 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.520 2.280 18995 3136 1 10 . 1 1 76 76 PHE CB C 76 38.600 38.600 42.412 -3.812 18995 3137 1 10 . 1 1 76 76 PHE H H 76 7.676 7.676 8.355 -0.679 18995 3138 1 10 . 1 1 77 77 VAL N N 77 119.765 119.765 124.502 -4.737 18995 3139 1 10 . 1 1 77 77 VAL C C 77 179.175 179.175 177.902 1.273 18995 3140 1 10 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.361 6.439 18995 3141 1 10 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.267 -1.067 18995 3142 1 10 . 1 1 77 77 VAL H H 77 8.498 8.498 8.626 -0.128 18995 3143 1 10 . 1 1 78 78 ALA N N 78 123.880 123.880 122.318 1.562 18995 3144 1 10 . 1 1 78 78 ALA C C 78 178.630 178.630 177.669 0.961 18995 3145 1 10 . 1 1 78 78 ALA CA C 78 56.100 56.100 55.156 0.944 18995 3146 1 10 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.652 -0.352 18995 3147 1 10 . 1 1 78 78 ALA H H 78 8.193 8.193 8.737 -0.544 18995 3148 1 10 . 1 1 79 79 MET N N 79 120.537 120.537 114.871 5.666 18995 3149 1 10 . 1 1 79 79 MET C C 79 178.430 178.430 176.797 1.633 18995 3150 1 10 . 1 1 79 79 MET CA C 79 59.500 59.500 54.890 4.610 18995 3151 1 10 . 1 1 79 79 MET CB C 79 32.800 32.800 32.269 0.531 18995 3152 1 10 . 1 1 79 79 MET H H 79 7.883 7.883 7.952 -0.069 18995 3153 1 10 . 1 1 80 80 VAL N N 80 120.374 120.374 119.308 1.066 18995 3154 1 10 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.595 4.605 18995 3155 1 10 . 1 1 80 80 VAL H H 80 8.299 8.299 7.605 0.694 18995 3156 1 10 . 1 1 82 82 THR C C 82 175.144 175.144 172.456 2.688 18995 3157 1 10 . 1 1 82 82 THR CA C 82 65.800 65.800 61.297 4.503 18995 3158 1 10 . 1 1 83 83 ALA N N 83 123.244 123.244 123.179 0.065 18995 3159 1 10 . 1 1 83 83 ALA C C 83 178.574 178.574 175.104 3.470 18995 3160 1 10 . 1 1 83 83 ALA CA C 83 53.900 53.900 50.110 3.790 18995 3161 1 10 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.959 -2.959 18995 3162 1 10 . 1 1 83 83 ALA H H 83 7.587 7.587 8.747 -1.160 18995 3163 1 10 . 1 1 84 84 CYS N N 84 116.910 116.910 116.703 0.207 18995 3164 1 10 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.447 2.353 18995 3165 1 10 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.609 -1.709 18995 3166 1 10 . 1 1 84 84 CYS H H 84 7.788 7.788 8.575 -0.787 18995 3167 1 10 . 1 1 86 86 GLU CA C 86 58.600 58.600 57.109 1.491 18995 3168 1 10 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.108 -0.708 18995 3169 1 10 . 1 1 87 87 PHE N N 87 118.550 118.550 120.196 -1.646 18995 3170 1 10 . 1 1 87 87 PHE C C 87 175.597 175.597 174.749 0.848 18995 3171 1 10 . 1 1 87 87 PHE CA C 87 59.100 59.100 57.205 1.895 18995 3172 1 10 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.139 -0.739 18995 3173 1 10 . 1 1 87 87 PHE H H 87 7.838 7.838 7.541 0.297 18995 3174 1 10 . 1 1 88 88 PHE N N 88 118.438 118.438 126.298 -7.860 18995 3175 1 10 . 1 1 88 88 PHE C C 88 175.241 175.241 176.030 -0.789 18995 3176 1 10 . 1 1 88 88 PHE CA C 88 58.200 58.200 57.616 0.584 18995 3177 1 10 . 1 1 88 88 PHE CB C 88 39.700 39.700 37.473 2.227 18995 3178 1 10 . 1 1 88 88 PHE H H 88 7.718 7.718 8.503 -0.785 18995 3179 1 10 . 1 1 89 89 GLU N N 89 121.366 121.366 126.117 -4.751 18995 3180 1 10 . 1 1 89 89 GLU C C 89 175.437 175.437 176.925 -1.488 18995 3181 1 10 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.289 2.311 18995 3182 1 10 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.083 -0.783 18995 3183 1 10 . 1 1 89 89 GLU H H 89 7.959 7.959 7.885 0.074 18995 3184 1 10 . 1 1 90 90 HIS N N 90 120.349 120.349 115.815 4.534 18995 3185 1 10 . 1 1 90 90 HIS C C 90 173.652 173.652 175.419 -1.767 18995 3186 1 10 . 1 1 90 90 HIS CA C 90 55.800 55.800 58.020 -2.220 18995 3187 1 10 . 1 1 90 90 HIS CB C 90 30.100 30.100 28.962 1.138 18995 3188 1 10 . 1 1 90 90 HIS H H 90 8.116 8.116 8.599 -0.483 18995 3189 1 10 . 1 1 91 91 GLU N N 91 127.965 127.965 117.817 10.148 18995 3190 1 10 . 1 1 91 91 GLU H H 91 8.235 8.235 7.430 0.805 18995 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 65 5.952 1.238 5.867 18995 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18995 3 1 1 "Average Difference" C 66 2.456 -1.548 1.922 18995 4 1 1 "Average Difference" CA 68 3.468 -2.303 2.613 18995 5 1 1 "Average Difference" CB 55 2.174 0.511 2.133 18995 6 1 1 "Average Difference" HN 65 1.090 0.093 1.094 18995 7 1 2 "Average Difference" N 65 6.025 1.122 5.966 18995 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18995 9 1 2 "Average Difference" C 66 2.394 -1.477 1.899 18995 10 1 2 "Average Difference" CA 68 3.432 -2.250 2.611 18995 11 1 2 "Average Difference" CB 55 2.007 0.495 1.962 18995 12 1 2 "Average Difference" HN 65 1.107 0.068 1.114 18995 13 1 3 "Average Difference" N 65 5.930 1.101 5.872 18995 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18995 15 1 3 "Average Difference" C 66 2.412 -1.586 1.832 18995 16 1 3 "Average Difference" CA 68 3.468 -2.335 2.583 18995 17 1 3 "Average Difference" CB 55 2.275 0.492 2.242 18995 18 1 3 "Average Difference" HN 65 1.080 0.086 1.085 18995 19 1 4 "Average Difference" N 65 6.023 1.109 5.966 18995 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18995 21 1 4 "Average Difference" C 66 2.379 -1.555 1.814 18995 22 1 4 "Average Difference" CA 68 3.414 -2.275 2.565 18995 23 1 4 "Average Difference" CB 55 2.083 0.515 2.037 18995 24 1 4 "Average Difference" HN 65 1.131 0.051 1.139 18995 25 1 5 "Average Difference" N 65 5.939 1.087 5.884 18995 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18995 27 1 5 "Average Difference" C 66 2.392 -1.499 1.878 18995 28 1 5 "Average Difference" CA 68 3.453 -2.326 2.571 18995 29 1 5 "Average Difference" CB 55 2.121 0.578 2.060 18995 30 1 5 "Average Difference" HN 65 1.117 0.066 1.124 18995 31 1 6 "Average Difference" N 65 5.820 1.215 5.736 18995 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18995 33 1 6 "Average Difference" C 66 2.405 -1.547 1.856 18995 34 1 6 "Average Difference" CA 68 3.459 -2.331 2.575 18995 35 1 6 "Average Difference" CB 55 2.154 0.483 2.119 18995 36 1 6 "Average Difference" HN 65 1.084 0.059 1.091 18995 37 1 7 "Average Difference" N 65 5.902 1.098 5.844 18995 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18995 39 1 7 "Average Difference" C 66 2.382 -1.495 1.869 18995 40 1 7 "Average Difference" CA 68 3.441 -2.275 2.601 18995 41 1 7 "Average Difference" CB 55 2.141 0.517 2.097 18995 42 1 7 "Average Difference" HN 65 1.099 0.065 1.106 18995 43 1 8 "Average Difference" N 65 6.004 1.126 5.943 18995 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18995 45 1 8 "Average Difference" C 66 2.463 -1.576 1.907 18995 46 1 8 "Average Difference" CA 68 3.485 -2.302 2.636 18995 47 1 8 "Average Difference" CB 55 2.226 0.522 2.184 18995 48 1 8 "Average Difference" HN 65 1.083 0.097 1.087 18995 49 1 9 "Average Difference" N 65 6.002 1.006 5.963 18995 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18995 51 1 9 "Average Difference" C 66 2.385 -1.512 1.859 18995 52 1 9 "Average Difference" CA 68 3.466 -2.299 2.612 18995 53 1 9 "Average Difference" CB 55 2.105 0.501 2.063 18995 54 1 9 "Average Difference" HN 65 1.097 0.089 1.102 18995 55 1 10 "Average Difference" N 65 5.876 1.098 5.817 18995 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18995 57 1 10 "Average Difference" C 66 2.365 -1.527 1.820 18995 58 1 10 "Average Difference" CA 68 3.416 -2.259 2.581 18995 59 1 10 "Average Difference" CB 55 2.069 0.476 2.032 18995 60 1 10 "Average Difference" HN 65 1.125 0.021 1.134 18995 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 18995 _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 20 20 ARG C C 20 177.097 177.097 174.987 2.110 18995 2 1 . 1 1 20 20 ARG CA C 20 60.100 60.100 55.731 4.369 18995 3 1 . 1 1 20 20 ARG CB C 20 31.000 31.000 30.942 0.058 18995 4 1 . 1 1 21 21 GLU N N 21 116.519 116.519 120.627 -4.108 18995 5 1 . 1 1 21 21 GLU C C 21 175.055 175.055 175.672 -0.617 18995 6 1 . 1 1 21 21 GLU CA C 21 55.600 55.600 54.570 1.030 18995 7 1 . 1 1 21 21 GLU CB C 21 35.700 35.700 34.044 1.656 18995 8 1 . 1 1 21 21 GLU H H 21 9.468 9.468 9.127 0.341 18995 9 1 . 1 1 22 22 GLY N N 22 122.197 122.197 110.525 11.672 18995 10 1 . 1 1 22 22 GLY C C 22 180.081 180.081 173.940 6.141 18995 11 1 . 1 1 22 22 GLY H H 22 10.096 10.096 9.225 0.871 18995 12 1 . 1 1 23 23 ASP N N 23 113.764 113.764 126.216 -12.452 18995 13 1 . 1 1 23 23 ASP C C 23 178.957 178.957 175.391 3.566 18995 14 1 . 1 1 23 23 ASP CA C 23 55.500 55.500 53.531 1.969 18995 15 1 . 1 1 23 23 ASP H H 23 8.115 8.115 9.296 -1.181 18995 16 1 . 1 1 24 24 LYS N N 24 131.954 131.954 127.808 4.146 18995 17 1 . 1 1 24 24 LYS C C 24 176.539 176.539 175.303 1.236 18995 18 1 . 1 1 24 24 LYS CA C 24 58.200 58.200 55.251 2.949 18995 19 1 . 1 1 24 24 LYS CB C 24 31.700 31.700 33.586 -1.886 18995 20 1 . 1 1 24 24 LYS H H 24 9.484 9.484 9.066 0.418 18995 21 1 . 1 1 25 25 HIS N N 25 119.313 119.313 128.296 -8.983 18995 22 1 . 1 1 25 25 HIS C C 25 172.815 172.815 174.640 -1.825 18995 23 1 . 1 1 25 25 HIS CA C 25 55.500 55.500 54.645 0.855 18995 24 1 . 1 1 25 25 HIS CB C 25 30.800 30.800 32.024 -1.225 18995 25 1 . 1 1 25 25 HIS H H 25 9.589 9.589 8.806 0.783 18995 26 1 . 1 1 26 26 LYS N N 26 115.394 115.394 126.649 -11.255 18995 27 1 . 1 1 26 26 LYS C C 26 174.608 174.608 175.121 -0.513 18995 28 1 . 1 1 26 26 LYS CA C 26 55.400 55.400 56.681 -1.280 18995 29 1 . 1 1 26 26 LYS CB C 26 39.100 39.100 31.783 7.317 18995 30 1 . 1 1 26 26 LYS H H 26 7.095 7.095 8.129 -1.034 18995 31 1 . 1 1 27 27 LEU N N 27 126.263 126.263 120.100 6.163 18995 32 1 . 1 1 27 27 LEU C C 27 175.637 175.637 176.280 -0.644 18995 33 1 . 1 1 27 27 LEU CA C 27 52.800 52.800 54.163 -1.363 18995 34 1 . 1 1 27 27 LEU CB C 27 43.700 43.700 42.219 1.481 18995 35 1 . 1 1 27 27 LEU H H 27 9.595 9.595 7.091 2.504 18995 36 1 . 1 1 28 28 LYS N N 28 124.436 124.436 124.145 0.291 18995 37 1 . 1 1 28 28 LYS C C 28 177.395 177.395 176.086 1.309 18995 38 1 . 1 1 28 28 LYS CA C 28 55.200 55.200 56.415 -1.215 18995 39 1 . 1 1 28 28 LYS H H 28 9.711 9.711 8.535 1.176 18995 40 1 . 1 1 29 29 LYS N N 29 121.980 121.980 118.929 3.051 18995 41 1 . 1 1 29 29 LYS C C 29 177.400 177.400 174.807 2.593 18995 42 1 . 1 1 29 29 LYS CA C 29 62.700 62.700 55.913 6.787 18995 43 1 . 1 1 29 29 LYS H H 29 9.084 9.084 7.476 1.608 18995 44 1 . 1 1 30 30 SER N N 30 111.519 111.519 113.305 -1.786 18995 45 1 . 1 1 30 30 SER C C 30 176.950 176.950 173.098 3.852 18995 46 1 . 1 1 30 30 SER CA C 30 61.100 61.100 56.582 4.518 18995 47 1 . 1 1 30 30 SER CB C 30 61.300 61.300 65.745 -4.445 18995 48 1 . 1 1 30 30 SER H H 30 8.267 8.267 7.122 1.145 18995 49 1 . 1 1 31 31 GLU N N 31 123.792 123.792 119.970 3.822 18995 50 1 . 1 1 31 31 GLU C C 31 179.463 179.463 176.845 2.618 18995 51 1 . 1 1 31 31 GLU CA C 31 60.100 60.100 55.358 4.742 18995 52 1 . 1 1 31 31 GLU CB C 31 29.200 29.200 31.473 -2.273 18995 53 1 . 1 1 31 31 GLU H H 31 6.603 6.603 9.572 -2.969 18995 54 1 . 1 1 32 32 LEU N N 32 121.954 121.954 124.918 -2.964 18995 55 1 . 1 1 32 32 LEU C C 32 176.995 176.995 175.661 1.334 18995 56 1 . 1 1 32 32 LEU CA C 32 57.900 57.900 55.448 2.452 18995 57 1 . 1 1 32 32 LEU CB C 32 42.300 42.300 42.205 0.095 18995 58 1 . 1 1 32 32 LEU H H 32 8.936 8.936 8.980 -0.044 18995 59 1 . 1 1 33 33 LYS N N 33 118.576 118.576 128.609 -10.033 18995 60 1 . 1 1 33 33 LYS C C 33 176.714 176.714 175.073 1.641 18995 61 1 . 1 1 33 33 LYS CA C 33 60.500 60.500 54.777 5.723 18995 62 1 . 1 1 33 33 LYS CB C 33 32.900 32.900 34.532 -1.632 18995 63 1 . 1 1 33 33 LYS H H 33 8.390 8.390 9.270 -0.880 18995 64 1 . 1 1 34 34 GLU N N 34 116.152 116.152 128.191 -12.039 18995 65 1 . 1 1 34 34 GLU C C 34 177.689 177.689 175.452 2.237 18995 66 1 . 1 1 34 34 GLU CA C 34 59.400 59.400 55.972 3.428 18995 67 1 . 1 1 34 34 GLU CB C 34 29.400 29.400 30.872 -1.472 18995 68 1 . 1 1 34 34 GLU H H 34 7.326 7.326 8.213 -0.887 18995 69 1 . 1 1 35 35 LEU N N 35 123.632 123.632 127.626 -3.994 18995 70 1 . 1 1 35 35 LEU C C 35 178.845 178.845 176.395 2.450 18995 71 1 . 1 1 35 35 LEU CA C 35 59.800 59.800 52.429 7.370 18995 72 1 . 1 1 35 35 LEU CB C 35 42.000 42.000 43.218 -1.218 18995 73 1 . 1 1 35 35 LEU H H 35 7.978 7.978 8.931 -0.954 18995 74 1 . 1 1 36 36 ILE C C 36 178.328 178.328 175.921 2.407 18995 75 1 . 1 1 36 36 ILE CA C 36 66.300 66.300 63.054 3.245 18995 76 1 . 1 1 36 36 ILE CB C 36 38.700 38.700 38.262 0.438 18995 77 1 . 1 1 37 37 ASN N N 37 118.242 118.242 112.806 5.436 18995 78 1 . 1 1 37 37 ASN C C 37 177.052 177.052 176.640 0.412 18995 79 1 . 1 1 37 37 ASN CA C 37 54.800 54.800 53.189 1.611 18995 80 1 . 1 1 37 37 ASN CB C 37 37.500 37.500 38.045 -0.545 18995 81 1 . 1 1 37 37 ASN H H 37 8.336 8.336 8.423 -0.087 18995 82 1 . 1 1 38 38 ASN N N 38 114.845 114.845 118.945 -4.100 18995 83 1 . 1 1 38 38 ASN C C 38 176.578 176.578 174.592 1.986 18995 84 1 . 1 1 38 38 ASN CA C 38 55.200 55.200 52.753 2.447 18995 85 1 . 1 1 38 38 ASN H H 38 8.213 8.213 8.037 0.175 18995 86 1 . 1 1 39 39 GLU N N 39 113.797 113.797 120.987 -7.189 18995 87 1 . 1 1 39 39 GLU C C 39 177.689 177.689 174.455 3.234 18995 88 1 . 1 1 39 39 GLU CA C 39 55.200 55.200 56.638 -1.438 18995 89 1 . 1 1 39 39 GLU CB C 39 31.300 31.300 31.117 0.183 18995 90 1 . 1 1 39 39 GLU H H 39 8.522 8.522 8.365 0.157 18995 91 1 . 1 1 40 40 LEU N N 40 119.982 119.982 122.739 -2.757 18995 92 1 . 1 1 40 40 LEU C C 40 177.212 177.212 175.556 1.656 18995 93 1 . 1 1 40 40 LEU CA C 40 54.100 54.100 53.415 0.685 18995 94 1 . 1 1 40 40 LEU CB C 40 42.700 42.700 44.222 -1.522 18995 95 1 . 1 1 40 40 LEU H H 40 7.552 7.552 8.533 -0.981 18995 96 1 . 1 1 41 41 SER N N 41 114.635 114.635 120.328 -5.693 18995 97 1 . 1 1 41 41 SER C C 41 175.688 175.688 172.594 3.094 18995 98 1 . 1 1 41 41 SER CA C 41 60.800 60.800 56.907 3.893 18995 99 1 . 1 1 41 41 SER CB C 41 64.100 64.100 66.832 -2.732 18995 100 1 . 1 1 41 41 SER H H 41 7.592 7.592 9.069 -1.477 18995 101 1 . 1 1 42 42 HIS N N 42 122.397 122.397 115.651 6.746 18995 102 1 . 1 1 42 42 HIS C C 42 175.523 175.523 172.665 2.858 18995 103 1 . 1 1 42 42 HIS CA C 42 58.700 58.700 55.210 3.491 18995 104 1 . 1 1 42 42 HIS H H 42 10.406 10.406 8.312 2.094 18995 105 1 . 1 1 43 43 PHE N N 43 117.618 117.618 121.660 -4.042 18995 106 1 . 1 1 43 43 PHE C C 43 177.431 177.431 175.795 1.636 18995 107 1 . 1 1 43 43 PHE CA C 43 58.800 58.800 55.610 3.190 18995 108 1 . 1 1 43 43 PHE H H 43 7.785 7.785 8.510 -0.725 18995 109 1 . 1 1 44 44 LEU N N 44 120.185 120.185 126.101 -5.916 18995 110 1 . 1 1 44 44 LEU C C 44 175.829 175.829 176.404 -0.575 18995 111 1 . 1 1 44 44 LEU CA C 44 53.800 53.800 56.329 -2.529 18995 112 1 . 1 1 44 44 LEU CB C 44 45.000 45.000 42.602 2.398 18995 113 1 . 1 1 44 44 LEU H H 44 8.533 8.533 8.770 -0.237 18995 114 1 . 1 1 45 45 GLU N N 45 121.499 121.499 119.714 1.785 18995 115 1 . 1 1 45 45 GLU C C 45 175.060 175.060 177.352 -2.292 18995 116 1 . 1 1 45 45 GLU CA C 45 56.600 56.600 56.716 -0.116 18995 117 1 . 1 1 45 45 GLU CB C 45 30.600 30.600 29.011 1.589 18995 118 1 . 1 1 45 45 GLU H H 45 8.130 8.130 8.342 -0.212 18995 119 1 . 1 1 46 46 GLU N N 46 122.480 122.480 125.125 -2.645 18995 120 1 . 1 1 46 46 GLU C C 46 176.861 176.861 176.035 0.826 18995 121 1 . 1 1 46 46 GLU CA C 46 56.800 56.800 57.447 -0.647 18995 122 1 . 1 1 46 46 GLU CB C 46 30.700 30.700 29.097 1.603 18995 123 1 . 1 1 46 46 GLU H H 46 8.123 8.123 8.611 -0.488 18995 124 1 . 1 1 47 47 ILE N N 47 127.680 127.680 118.873 8.808 18995 125 1 . 1 1 47 47 ILE C C 47 175.931 175.931 175.775 0.156 18995 126 1 . 1 1 47 47 ILE CA C 47 62.100 62.100 61.485 0.615 18995 127 1 . 1 1 47 47 ILE CB C 47 38.600 38.600 37.842 0.758 18995 128 1 . 1 1 47 47 ILE H H 47 9.897 9.897 7.750 2.147 18995 129 1 . 1 1 48 48 LYS N N 48 126.846 126.846 123.936 2.910 18995 130 1 . 1 1 48 48 LYS C C 48 175.896 175.896 175.869 0.027 18995 131 1 . 1 1 48 48 LYS CA C 48 56.600 56.600 54.006 2.593 18995 132 1 . 1 1 48 48 LYS CB C 48 34.700 34.700 34.115 0.585 18995 133 1 . 1 1 48 48 LYS H H 48 9.077 9.077 7.427 1.650 18995 134 1 . 1 1 49 49 GLU C C 49 179.470 179.470 176.454 3.016 18995 135 1 . 1 1 49 49 GLU CA C 49 55.600 55.600 57.214 -1.614 18995 136 1 . 1 1 49 49 GLU CB C 49 31.800 31.800 29.486 2.314 18995 137 1 . 1 1 50 50 GLN N N 50 125.850 125.850 119.011 6.839 18995 138 1 . 1 1 50 50 GLN C C 50 176.883 176.883 176.671 0.212 18995 139 1 . 1 1 50 50 GLN CA C 50 58.500 58.500 57.659 0.841 18995 140 1 . 1 1 50 50 GLN CB C 50 28.400 28.400 28.726 -0.326 18995 141 1 . 1 1 50 50 GLN H H 50 9.041 9.041 8.762 0.279 18995 142 1 . 1 1 51 51 GLU N N 51 117.404 117.404 112.663 4.741 18995 143 1 . 1 1 51 51 GLU C C 51 178.262 178.262 175.433 2.829 18995 144 1 . 1 1 51 51 GLU CA C 51 59.700 59.700 55.688 4.012 18995 145 1 . 1 1 51 51 GLU CB C 51 29.300 29.300 30.008 -0.708 18995 146 1 . 1 1 51 51 GLU H H 51 9.352 9.352 7.421 1.931 18995 147 1 . 1 1 52 52 VAL N N 52 118.888 118.888 122.364 -3.476 18995 148 1 . 1 1 52 52 VAL C C 52 177.677 177.677 174.704 2.973 18995 149 1 . 1 1 52 52 VAL CA C 52 66.100 66.100 61.744 4.356 18995 150 1 . 1 1 52 52 VAL CB C 52 31.700 31.700 30.914 0.786 18995 151 1 . 1 1 52 52 VAL H H 52 7.247 7.247 7.300 -0.053 18995 152 1 . 1 1 53 53 VAL N N 53 119.906 119.906 123.423 -3.517 18995 153 1 . 1 1 53 53 VAL C C 53 176.742 176.742 174.839 1.903 18995 154 1 . 1 1 53 53 VAL CA C 53 66.200 66.200 60.649 5.551 18995 155 1 . 1 1 53 53 VAL CB C 53 31.600 31.600 34.636 -3.036 18995 156 1 . 1 1 53 53 VAL H H 53 7.264 7.264 8.643 -1.379 18995 157 1 . 1 1 54 54 ASP N N 54 121.483 121.483 120.796 0.687 18995 158 1 . 1 1 54 54 ASP C C 54 178.291 178.291 174.568 3.723 18995 159 1 . 1 1 54 54 ASP CA C 54 58.200 58.200 52.285 5.915 18995 160 1 . 1 1 54 54 ASP CB C 54 40.000 40.000 44.122 -4.122 18995 161 1 . 1 1 54 54 ASP H H 54 8.524 8.524 9.091 -0.567 18995 162 1 . 1 1 55 55 LYS N N 55 120.875 120.875 127.883 -7.008 18995 163 1 . 1 1 55 55 LYS C C 55 179.054 179.054 176.244 2.810 18995 164 1 . 1 1 55 55 LYS CA C 55 58.900 58.900 55.479 3.421 18995 165 1 . 1 1 55 55 LYS CB C 55 32.200 32.200 32.120 0.080 18995 166 1 . 1 1 55 55 LYS H H 55 7.580 7.580 8.898 -1.318 18995 167 1 . 1 1 56 56 VAL N N 56 121.960 121.960 123.529 -1.569 18995 168 1 . 1 1 56 56 VAL C C 56 178.221 178.221 175.133 3.087 18995 169 1 . 1 1 56 56 VAL CA C 56 67.000 67.000 61.390 5.610 18995 170 1 . 1 1 56 56 VAL CB C 56 31.700 31.700 33.355 -1.655 18995 171 1 . 1 1 56 56 VAL H H 56 8.279 8.279 8.452 -0.173 18995 172 1 . 1 1 57 57 MET N N 57 118.815 118.815 126.117 -7.302 18995 173 1 . 1 1 57 57 MET C C 57 176.888 176.888 175.326 1.562 18995 174 1 . 1 1 57 57 MET CA C 57 57.900 57.900 54.542 3.358 18995 175 1 . 1 1 57 57 MET CB C 57 32.900 32.900 33.110 -0.210 18995 176 1 . 1 1 57 57 MET H H 57 8.467 8.467 8.909 -0.442 18995 177 1 . 1 1 58 58 GLU N N 58 117.894 117.894 125.523 -7.629 18995 178 1 . 1 1 58 58 GLU C C 58 178.510 178.510 176.427 2.083 18995 179 1 . 1 1 58 58 GLU CA C 58 59.400 59.400 57.235 2.165 18995 180 1 . 1 1 58 58 GLU CB C 58 29.800 29.800 30.922 -1.122 18995 181 1 . 1 1 58 58 GLU H H 58 8.073 8.073 8.782 -0.709 18995 182 1 . 1 1 59 59 THR N N 59 113.244 113.244 112.935 0.309 18995 183 1 . 1 1 59 59 THR C C 59 174.778 174.778 172.761 2.017 18995 184 1 . 1 1 59 59 THR CA C 59 65.600 65.600 59.942 5.658 18995 185 1 . 1 1 59 59 THR CB C 59 69.600 69.600 71.093 -1.493 18995 186 1 . 1 1 59 59 THR H H 59 7.739 7.739 7.498 0.241 18995 187 1 . 1 1 60 60 LEU N N 60 119.636 119.636 123.495 -3.859 18995 188 1 . 1 1 60 60 LEU C C 60 177.561 177.561 177.294 0.267 18995 189 1 . 1 1 60 60 LEU CA C 60 55.600 55.600 56.590 -0.990 18995 190 1 . 1 1 60 60 LEU CB C 60 43.300 43.300 41.103 2.197 18995 191 1 . 1 1 60 60 LEU H H 60 7.643 7.643 8.697 -1.054 18995 192 1 . 1 1 61 61 ASP N N 61 117.424 117.424 125.053 -7.629 18995 193 1 . 1 1 61 61 ASP C C 61 175.915 175.915 174.602 1.313 18995 194 1 . 1 1 61 61 ASP CA C 61 54.600 54.600 53.848 0.752 18995 195 1 . 1 1 61 61 ASP H H 61 7.984 7.984 8.632 -0.648 18995 196 1 . 1 1 62 62 ASN N N 62 127.650 127.650 122.177 5.473 18995 197 1 . 1 1 62 62 ASN C C 62 175.905 175.905 174.419 1.486 18995 198 1 . 1 1 62 62 ASN CA C 62 54.900 54.900 52.894 2.006 18995 199 1 . 1 1 62 62 ASN CB C 62 40.400 40.400 39.462 0.938 18995 200 1 . 1 1 62 62 ASN H H 62 9.032 9.032 8.099 0.933 18995 201 1 . 1 1 63 63 ASP N N 63 116.676 116.676 123.323 -6.647 18995 202 1 . 1 1 63 63 ASP C C 63 177.604 177.604 174.983 2.621 18995 203 1 . 1 1 63 63 ASP CA C 63 53.400 53.400 50.763 2.638 18995 204 1 . 1 1 63 63 ASP CB C 63 40.200 40.200 44.964 -4.764 18995 205 1 . 1 1 63 63 ASP H H 63 8.302 8.302 9.630 -1.328 18995 206 1 . 1 1 64 64 GLY N N 64 109.334 109.334 110.763 -1.429 18995 207 1 . 1 1 64 64 GLY C C 64 174.834 174.834 174.604 0.230 18995 208 1 . 1 1 64 64 GLY CA C 64 47.700 47.700 43.485 4.214 18995 209 1 . 1 1 64 64 GLY H H 64 7.681 7.681 9.095 -1.414 18995 210 1 . 1 1 65 65 ASP N N 65 120.960 120.960 126.864 -5.904 18995 211 1 . 1 1 65 65 ASP C C 65 177.010 177.010 174.704 2.306 18995 212 1 . 1 1 65 65 ASP CA C 65 53.800 53.800 54.080 -0.280 18995 213 1 . 1 1 65 65 ASP CB C 65 40.300 40.300 40.799 -0.498 18995 214 1 . 1 1 65 65 ASP H H 65 8.386 8.386 9.268 -0.882 18995 215 1 . 1 1 66 66 GLY N N 66 113.875 113.875 117.351 -3.476 18995 216 1 . 1 1 66 66 GLY C C 66 172.343 172.343 174.106 -1.763 18995 217 1 . 1 1 66 66 GLY CA C 66 45.900 45.900 42.798 3.102 18995 218 1 . 1 1 66 66 GLY H H 66 10.212 10.212 8.871 1.341 18995 219 1 . 1 1 67 67 GLU N N 67 118.701 118.701 125.461 -6.760 18995 220 1 . 1 1 67 67 GLU C C 67 174.711 174.711 176.232 -1.521 18995 221 1 . 1 1 67 67 GLU CA C 67 55.200 55.200 55.851 -0.651 18995 222 1 . 1 1 67 67 GLU H H 67 7.949 7.949 8.952 -1.003 18995 223 1 . 1 1 68 68 CYS N N 68 124.753 124.753 126.718 -1.965 18995 224 1 . 1 1 68 68 CYS C C 68 174.411 174.411 176.215 -1.804 18995 225 1 . 1 1 68 68 CYS CA C 68 57.000 57.000 62.486 -5.486 18995 226 1 . 1 1 68 68 CYS CB C 68 28.100 28.100 27.883 0.217 18995 227 1 . 1 1 68 68 CYS H H 68 9.486 9.486 8.661 0.825 18995 228 1 . 1 1 69 69 ASP N N 69 132.376 132.376 118.327 14.049 18995 229 1 . 1 1 69 69 ASP C C 69 175.307 175.307 175.532 -0.225 18995 230 1 . 1 1 69 69 ASP CA C 69 53.300 53.300 54.657 -1.357 18995 231 1 . 1 1 69 69 ASP CB C 69 40.600 40.600 40.224 0.376 18995 232 1 . 1 1 69 69 ASP H H 69 9.911 9.911 8.389 1.522 18995 233 1 . 1 1 70 70 PHE N N 70 119.131 119.131 119.716 -0.585 18995 234 1 . 1 1 70 70 PHE C C 70 176.482 176.482 175.022 1.460 18995 235 1 . 1 1 70 70 PHE CA C 70 62.900 62.900 58.132 4.768 18995 236 1 . 1 1 70 70 PHE CB C 70 39.100 39.100 40.513 -1.413 18995 237 1 . 1 1 70 70 PHE H H 70 9.075 9.075 7.713 1.362 18995 238 1 . 1 1 71 71 GLN N N 71 119.323 119.323 117.947 1.377 18995 239 1 . 1 1 71 71 GLN C C 71 179.517 179.517 173.995 5.522 18995 240 1 . 1 1 71 71 GLN CA C 71 60.100 60.100 57.002 3.098 18995 241 1 . 1 1 71 71 GLN CB C 71 28.200 28.200 27.558 0.642 18995 242 1 . 1 1 71 71 GLN H H 71 8.047 8.047 8.398 -0.351 18995 243 1 . 1 1 72 72 GLU N N 72 123.228 123.228 115.789 7.439 18995 244 1 . 1 1 72 72 GLU C C 72 179.337 179.337 175.033 4.304 18995 245 1 . 1 1 72 72 GLU CA C 72 58.900 58.900 55.005 3.895 18995 246 1 . 1 1 72 72 GLU CB C 72 30.300 30.300 33.186 -2.886 18995 247 1 . 1 1 72 72 GLU H H 72 9.061 9.061 7.253 1.808 18995 248 1 . 1 1 73 73 PHE N N 73 123.155 123.155 119.203 3.952 18995 249 1 . 1 1 73 73 PHE C C 73 176.497 176.497 175.476 1.021 18995 250 1 . 1 1 73 73 PHE CA C 73 60.800 60.800 57.448 3.352 18995 251 1 . 1 1 73 73 PHE CB C 73 39.700 39.700 40.614 -0.914 18995 252 1 . 1 1 73 73 PHE H H 73 8.863 8.863 9.379 -0.516 18995 253 1 . 1 1 74 74 MET N N 74 119.622 119.622 122.910 -3.288 18995 254 1 . 1 1 74 74 MET C C 74 178.476 178.476 174.755 3.721 18995 255 1 . 1 1 74 74 MET CA C 74 56.200 56.200 55.744 0.456 18995 256 1 . 1 1 74 74 MET CB C 74 30.400 30.400 33.552 -3.152 18995 257 1 . 1 1 74 74 MET H H 74 8.217 8.217 9.047 -0.831 18995 258 1 . 1 1 75 75 ALA N N 75 123.073 123.073 128.531 -5.458 18995 259 1 . 1 1 75 75 ALA C C 75 180.129 180.129 175.159 4.970 18995 260 1 . 1 1 75 75 ALA CA C 75 55.200 55.200 50.381 4.819 18995 261 1 . 1 1 75 75 ALA H H 75 7.490 7.490 9.302 -1.812 18995 262 1 . 1 1 76 76 PHE N N 76 122.171 122.171 122.552 -0.381 18995 263 1 . 1 1 76 76 PHE C C 76 176.365 176.365 174.993 1.372 18995 264 1 . 1 1 76 76 PHE CA C 76 59.800 59.800 57.346 2.454 18995 265 1 . 1 1 76 76 PHE CB C 76 38.600 38.600 42.788 -4.188 18995 266 1 . 1 1 76 76 PHE H H 76 7.676 7.676 8.271 -0.595 18995 267 1 . 1 1 77 77 VAL N N 77 119.765 119.765 124.236 -4.471 18995 268 1 . 1 1 77 77 VAL C C 77 179.175 179.175 177.699 1.476 18995 269 1 . 1 1 77 77 VAL CA C 77 66.800 66.800 60.370 6.430 18995 270 1 . 1 1 77 77 VAL CB C 77 31.200 31.200 32.353 -1.153 18995 271 1 . 1 1 77 77 VAL H H 77 8.498 8.498 8.691 -0.193 18995 272 1 . 1 1 78 78 ALA N N 78 123.880 123.880 122.376 1.504 18995 273 1 . 1 1 78 78 ALA C C 78 178.630 178.630 177.504 1.126 18995 274 1 . 1 1 78 78 ALA CA C 78 56.100 56.100 55.093 1.007 18995 275 1 . 1 1 78 78 ALA CB C 78 18.300 18.300 18.655 -0.355 18995 276 1 . 1 1 78 78 ALA H H 78 8.193 8.193 8.783 -0.590 18995 277 1 . 1 1 79 79 MET N N 79 120.537 120.537 114.228 6.309 18995 278 1 . 1 1 79 79 MET C C 79 178.430 178.430 176.795 1.635 18995 279 1 . 1 1 79 79 MET CA C 79 59.500 59.500 54.689 4.811 18995 280 1 . 1 1 79 79 MET CB C 79 32.800 32.800 32.145 0.655 18995 281 1 . 1 1 79 79 MET H H 79 7.883 7.883 7.838 0.045 18995 282 1 . 1 1 80 80 VAL N N 80 120.374 120.374 119.314 1.060 18995 283 1 . 1 1 80 80 VAL CA C 80 66.200 66.200 61.682 4.518 18995 284 1 . 1 1 80 80 VAL H H 80 8.299 8.299 7.722 0.577 18995 285 1 . 1 1 82 82 THR C C 82 175.144 175.144 172.594 2.550 18995 286 1 . 1 1 82 82 THR CA C 82 65.800 65.800 61.197 4.603 18995 287 1 . 1 1 83 83 ALA N N 83 123.244 123.244 123.030 0.214 18995 288 1 . 1 1 83 83 ALA C C 83 178.574 178.574 175.187 3.387 18995 289 1 . 1 1 83 83 ALA CA C 83 53.900 53.900 49.997 3.903 18995 290 1 . 1 1 83 83 ALA CB C 83 19.000 19.000 21.779 -2.779 18995 291 1 . 1 1 83 83 ALA H H 83 7.587 7.587 8.707 -1.120 18995 292 1 . 1 1 84 84 CYS N N 84 116.910 116.910 117.241 -0.331 18995 293 1 . 1 1 84 84 CYS CA C 84 59.800 59.800 57.241 2.559 18995 294 1 . 1 1 84 84 CYS CB C 84 27.900 27.900 29.284 -1.384 18995 295 1 . 1 1 84 84 CYS H H 84 7.788 7.788 8.491 -0.703 18995 296 1 . 1 1 86 86 GLU CA C 86 58.600 58.600 57.680 0.920 18995 297 1 . 1 1 86 86 GLU CB C 86 29.400 29.400 30.202 -0.802 18995 298 1 . 1 1 87 87 PHE N N 87 118.550 118.550 119.623 -1.073 18995 299 1 . 1 1 87 87 PHE C C 87 175.597 175.597 174.719 0.879 18995 300 1 . 1 1 87 87 PHE CA C 87 59.100 59.100 57.260 1.840 18995 301 1 . 1 1 87 87 PHE CB C 87 39.400 39.400 40.381 -0.981 18995 302 1 . 1 1 87 87 PHE H H 87 7.838 7.838 7.655 0.183 18995 303 1 . 1 1 88 88 PHE N N 88 118.438 118.438 125.599 -7.161 18995 304 1 . 1 1 88 88 PHE C C 88 175.241 175.241 175.872 -0.631 18995 305 1 . 1 1 88 88 PHE CA C 88 58.200 58.200 57.835 0.365 18995 306 1 . 1 1 88 88 PHE CB C 88 39.700 39.700 37.208 2.492 18995 307 1 . 1 1 88 88 PHE H H 88 7.718 7.718 8.510 -0.792 18995 308 1 . 1 1 89 89 GLU N N 89 121.366 121.366 126.190 -4.824 18995 309 1 . 1 1 89 89 GLU C C 89 175.437 175.437 177.152 -1.715 18995 310 1 . 1 1 89 89 GLU CA C 89 56.600 56.600 54.547 2.053 18995 311 1 . 1 1 89 89 GLU CB C 89 30.300 30.300 31.265 -0.965 18995 312 1 . 1 1 89 89 GLU H H 89 7.959 7.959 7.913 0.046 18995 313 1 . 1 1 90 90 HIS N N 90 120.349 120.349 116.667 3.682 18995 314 1 . 1 1 90 90 HIS C C 90 173.652 173.652 175.651 -1.999 18995 315 1 . 1 1 90 90 HIS CA C 90 55.800 55.800 58.151 -2.351 18995 316 1 . 1 1 90 90 HIS CB C 90 30.100 30.100 29.096 1.004 18995 317 1 . 1 1 90 90 HIS H H 90 8.116 8.116 8.713 -0.597 18995 318 1 . 1 1 91 91 GLU N N 91 127.965 127.965 117.535 10.430 18995 319 1 . 1 1 91 91 GLU H H 91 8.235 8.235 7.693 0.542 18995 stop_ save_