data_25837 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25837 _Entry.PDB_ID 2N88 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 25837 _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 50 50 LEU N N 50 121.638 121.638 123.414 -1.776 25837 2 1 1 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.643 -0.423 25837 3 1 1 . 1 1 50 50 LEU C C 50 177.393 177.393 175.948 1.445 25837 4 1 1 . 1 1 50 50 LEU CA C 50 55.098 55.098 54.609 0.488 25837 5 1 1 . 1 1 50 50 LEU CB C 50 42.293 42.293 42.634 -0.341 25837 6 1 1 . 1 1 50 50 LEU H H 50 8.002 8.002 8.024 -0.022 25837 7 1 1 . 1 1 51 51 GLU N N 51 120.898 120.898 121.290 -0.392 25837 8 1 1 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.177 -0.073 25837 9 1 1 . 1 1 51 51 GLU C C 51 175.840 175.840 176.221 -0.381 25837 10 1 1 . 1 1 51 51 GLU CA C 51 56.564 56.564 56.428 0.136 25837 11 1 1 . 1 1 51 51 GLU CB C 51 29.821 29.821 29.211 0.610 25837 12 1 1 . 1 1 51 51 GLU H H 51 8.544 8.544 8.043 0.501 25837 13 1 1 . 1 1 52 52 TYR N N 52 118.796 118.796 120.454 -1.658 25837 14 1 1 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.099 0.353 25837 15 1 1 . 1 1 52 52 TYR C C 52 174.723 174.723 173.857 0.866 25837 16 1 1 . 1 1 52 52 TYR CA C 52 57.109 57.109 58.432 -1.323 25837 17 1 1 . 1 1 52 52 TYR CB C 52 38.430 38.430 37.573 0.857 25837 18 1 1 . 1 1 52 52 TYR H H 52 7.787 7.787 8.132 -0.345 25837 19 1 1 . 1 1 53 53 ALA N N 53 125.078 125.078 121.260 3.818 25837 20 1 1 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.679 -0.337 25837 21 1 1 . 1 1 53 53 ALA C C 53 176.467 176.467 175.901 0.566 25837 22 1 1 . 1 1 53 53 ALA CA C 53 51.932 51.932 51.844 0.088 25837 23 1 1 . 1 1 53 53 ALA CB C 53 20.153 20.153 21.907 -1.754 25837 24 1 1 . 1 1 53 53 ALA H H 53 7.848 7.848 8.192 -0.344 25837 25 1 1 . 1 1 54 54 VAL N N 54 120.277 120.277 121.464 -1.187 25837 26 1 1 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.473 -0.025 25837 27 1 1 . 1 1 54 54 VAL C C 54 175.867 175.867 174.873 0.994 25837 28 1 1 . 1 1 54 54 VAL CA C 54 61.333 61.333 60.739 0.594 25837 29 1 1 . 1 1 54 54 VAL CB C 54 33.990 33.990 32.767 1.223 25837 30 1 1 . 1 1 54 54 VAL H H 54 8.622 8.622 8.633 -0.011 25837 31 1 1 . 1 1 55 55 ALA N N 55 131.772 131.772 130.751 1.021 25837 32 1 1 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.635 0.170 25837 33 1 1 . 1 1 55 55 ALA C C 55 175.758 175.758 176.999 -1.241 25837 34 1 1 . 1 1 55 55 ALA CA C 55 52.831 52.831 51.994 0.837 25837 35 1 1 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.762 1.299 25837 36 1 1 . 1 1 55 55 ALA H H 55 8.973 8.973 8.726 0.247 25837 37 1 1 . 1 1 56 56 GLU N N 56 123.274 123.274 124.654 -1.380 25837 38 1 1 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.324 -0.081 25837 39 1 1 . 1 1 56 56 GLU C C 56 176.058 176.058 176.772 -0.714 25837 40 1 1 . 1 1 56 56 GLU CA C 56 57.245 57.245 57.524 -0.279 25837 41 1 1 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.515 1.544 25837 42 1 1 . 1 1 56 56 GLU H H 56 9.357 9.357 8.422 0.935 25837 43 1 1 . 1 1 57 57 SER N N 57 108.822 108.822 111.180 -2.358 25837 44 1 1 . 1 1 57 57 SER HA H 57 4.406 4.406 4.555 -0.149 25837 45 1 1 . 1 1 57 57 SER C C 57 171.400 171.400 172.096 -0.696 25837 46 1 1 . 1 1 57 57 SER CA C 57 57.463 57.463 57.282 0.181 25837 47 1 1 . 1 1 57 57 SER CB C 57 64.855 64.855 65.842 -0.987 25837 48 1 1 . 1 1 57 57 SER H H 57 7.646 7.646 7.950 -0.304 25837 49 1 1 . 1 1 58 58 VAL N N 58 121.411 121.411 120.650 0.761 25837 50 1 1 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.515 -0.074 25837 51 1 1 . 1 1 58 58 VAL C C 58 175.731 175.731 175.194 0.537 25837 52 1 1 . 1 1 58 58 VAL CA C 58 61.133 61.133 61.557 -0.424 25837 53 1 1 . 1 1 58 58 VAL CB C 58 32.958 32.958 33.643 -0.685 25837 54 1 1 . 1 1 58 58 VAL H H 58 8.566 8.566 8.694 -0.128 25837 55 1 1 . 1 1 59 59 ILE N N 59 116.198 116.198 120.070 -3.872 25837 56 1 1 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.781 -0.139 25837 57 1 1 . 1 1 59 59 ILE C C 59 175.568 175.568 175.017 0.551 25837 58 1 1 . 1 1 59 59 ILE CA C 59 60.514 60.514 59.994 0.520 25837 59 1 1 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.604 -0.077 25837 60 1 1 . 1 1 59 59 ILE H H 59 8.840 8.840 8.446 0.394 25837 61 1 1 . 1 1 60 60 GLY N N 60 110.098 110.098 108.571 1.527 25837 62 1 1 . 1 1 60 60 GLY C C 60 170.392 170.392 172.050 -1.658 25837 63 1 1 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.308 1.467 25837 64 1 1 . 1 1 60 60 GLY H H 60 6.985 6.985 7.223 -0.238 25837 65 1 1 . 1 1 61 61 LYS N N 61 121.033 121.033 122.009 -0.976 25837 66 1 1 . 1 1 61 61 LYS HA H 61 5.398 5.398 4.887 0.511 25837 67 1 1 . 1 1 61 61 LYS C C 61 173.879 173.879 175.247 -1.368 25837 68 1 1 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.634 0.385 25837 69 1 1 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.459 1.510 25837 70 1 1 . 1 1 61 61 LYS H H 61 8.677 8.677 8.679 -0.002 25837 71 1 1 . 1 1 62 62 ARG N N 62 124.198 124.198 126.963 -2.765 25837 72 1 1 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.648 0.029 25837 73 1 1 . 1 1 62 62 ARG C C 62 172.626 172.626 174.357 -1.731 25837 74 1 1 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.695 0.717 25837 75 1 1 . 1 1 62 62 ARG CB C 62 32.405 32.405 31.702 0.703 25837 76 1 1 . 1 1 62 62 ARG H H 62 9.334 9.334 9.123 0.211 25837 77 1 1 . 1 1 63 63 VAL N N 63 119.879 119.879 124.672 -4.793 25837 78 1 1 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.111 0.217 25837 79 1 1 . 1 1 63 63 VAL C C 63 176.576 176.576 175.630 0.946 25837 80 1 1 . 1 1 63 63 VAL CA C 63 61.550 61.550 61.830 -0.280 25837 81 1 1 . 1 1 63 63 VAL CB C 63 32.198 32.198 32.514 -0.316 25837 82 1 1 . 1 1 63 63 VAL H H 63 8.093 8.093 8.548 -0.455 25837 83 1 1 . 1 1 64 64 GLY N N 64 113.318 113.318 115.110 -1.792 25837 84 1 1 . 1 1 64 64 GLY C C 64 174.669 174.669 174.359 0.310 25837 85 1 1 . 1 1 64 64 GLY CA C 64 44.277 44.277 44.452 -0.175 25837 86 1 1 . 1 1 64 64 GLY H H 64 9.036 9.036 8.201 0.835 25837 87 1 1 . 1 1 65 65 ASP N N 65 120.277 120.277 124.516 -4.239 25837 88 1 1 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.478 -0.266 25837 89 1 1 . 1 1 65 65 ASP C C 65 176.576 176.576 176.467 0.109 25837 90 1 1 . 1 1 65 65 ASP CA C 65 56.508 56.508 56.250 0.258 25837 91 1 1 . 1 1 65 65 ASP CB C 65 40.080 40.080 41.332 -1.252 25837 92 1 1 . 1 1 65 65 ASP H H 65 8.676 8.676 8.632 0.044 25837 93 1 1 . 1 1 66 66 ASP N N 66 116.944 116.944 118.586 -1.642 25837 94 1 1 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.609 -0.248 25837 95 1 1 . 1 1 66 66 ASP C C 66 177.502 177.502 176.491 1.011 25837 96 1 1 . 1 1 66 66 ASP CA C 66 53.703 53.703 53.796 -0.093 25837 97 1 1 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.638 -0.973 25837 98 1 1 . 1 1 66 66 ASP H H 66 8.102 8.102 7.956 0.146 25837 99 1 1 . 1 1 67 67 GLY N N 67 108.288 108.288 106.743 1.545 25837 100 1 1 . 1 1 67 67 GLY C C 67 177.938 177.938 173.842 4.096 25837 101 1 1 . 1 1 67 67 GLY CA C 67 45.716 45.716 44.862 0.854 25837 102 1 1 . 1 1 67 67 GLY H H 67 8.268 8.268 7.785 0.483 25837 103 1 1 . 1 1 68 68 LYS N N 68 119.172 119.172 120.877 -1.705 25837 104 1 1 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.493 -0.066 25837 105 1 1 . 1 1 68 68 LYS C C 68 175.786 175.786 176.434 -0.648 25837 106 1 1 . 1 1 68 68 LYS CA C 68 57.027 57.027 55.072 1.955 25837 107 1 1 . 1 1 68 68 LYS CB C 68 35.793 35.793 32.970 2.823 25837 108 1 1 . 1 1 68 68 LYS H H 68 8.483 8.483 7.759 0.724 25837 109 1 1 . 1 1 69 69 THR N N 69 122.302 122.302 119.878 2.424 25837 110 1 1 . 1 1 69 69 THR HA H 69 4.035 4.035 4.235 -0.200 25837 111 1 1 . 1 1 69 69 THR C C 69 173.279 173.279 174.018 -0.739 25837 112 1 1 . 1 1 69 69 THR CA C 69 64.029 64.029 63.112 0.916 25837 113 1 1 . 1 1 69 69 THR CB C 69 68.428 68.428 69.302 -0.873 25837 114 1 1 . 1 1 69 69 THR H H 69 9.858 9.858 8.432 1.426 25837 115 1 1 . 1 1 70 70 ILE N N 70 128.434 128.434 127.567 0.867 25837 116 1 1 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.336 0.017 25837 117 1 1 . 1 1 70 70 ILE C C 70 174.805 174.805 175.281 -0.476 25837 118 1 1 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.657 -1.551 25837 119 1 1 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.666 -0.214 25837 120 1 1 . 1 1 70 70 ILE H H 70 8.371 8.371 8.468 -0.097 25837 121 1 1 . 1 1 71 71 GLU N N 71 125.034 125.034 126.657 -1.623 25837 122 1 1 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.893 0.143 25837 123 1 1 . 1 1 71 71 GLU C C 71 174.315 174.315 175.374 -1.059 25837 124 1 1 . 1 1 71 71 GLU CA C 71 53.513 53.513 55.003 -1.490 25837 125 1 1 . 1 1 71 71 GLU CB C 71 34.341 34.341 32.975 1.366 25837 126 1 1 . 1 1 71 71 GLU H H 71 8.709 8.709 8.514 0.195 25837 127 1 1 . 1 1 72 72 TYR N N 72 117.954 117.954 121.003 -3.049 25837 128 1 1 . 1 1 72 72 TYR HA H 72 5.219 5.219 5.038 0.181 25837 129 1 1 . 1 1 72 72 TYR C C 72 173.198 173.198 174.665 -1.467 25837 130 1 1 . 1 1 72 72 TYR CA C 72 56.537 56.537 56.796 -0.259 25837 131 1 1 . 1 1 72 72 TYR CB C 72 41.809 41.809 41.773 0.036 25837 132 1 1 . 1 1 72 72 TYR H H 72 9.301 9.301 9.492 -0.191 25837 133 1 1 . 1 1 73 73 LEU N N 73 127.621 127.621 125.498 2.123 25837 134 1 1 . 1 1 73 73 LEU HA H 73 3.630 3.630 3.796 -0.166 25837 135 1 1 . 1 1 73 73 LEU C C 73 173.960 173.960 174.958 -0.998 25837 136 1 1 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.846 -0.933 25837 137 1 1 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.498 -2.551 25837 138 1 1 . 1 1 73 73 LEU H H 73 7.464 7.464 8.072 -0.608 25837 139 1 1 . 1 1 74 74 VAL N N 74 129.811 129.811 127.106 2.705 25837 140 1 1 . 1 1 74 74 VAL HA H 74 3.975 3.975 4.026 -0.051 25837 141 1 1 . 1 1 74 74 VAL C C 74 173.960 173.960 175.013 -1.053 25837 142 1 1 . 1 1 74 74 VAL CA C 74 62.013 62.013 62.057 -0.044 25837 143 1 1 . 1 1 74 74 VAL CB C 74 33.650 33.650 31.835 1.815 25837 144 1 1 . 1 1 74 74 VAL H H 74 9.114 9.114 8.066 1.048 25837 145 1 1 . 1 1 75 75 LYS N N 75 124.830 124.830 128.881 -4.051 25837 146 1 1 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.534 -0.220 25837 147 1 1 . 1 1 75 75 LYS C C 75 175.105 175.105 175.491 -0.386 25837 148 1 1 . 1 1 75 75 LYS CA C 75 54.221 54.221 55.045 -0.824 25837 149 1 1 . 1 1 75 75 LYS CB C 75 33.511 33.511 33.085 0.426 25837 150 1 1 . 1 1 75 75 LYS H H 75 8.239 8.239 8.675 -0.436 25837 151 1 1 . 1 1 76 76 TRP N N 76 129.121 129.121 125.607 3.514 25837 152 1 1 . 1 1 76 76 TRP HA H 76 4.855 4.855 4.930 -0.075 25837 153 1 1 . 1 1 76 76 TRP C C 76 177.148 177.148 178.280 -1.132 25837 154 1 1 . 1 1 76 76 TRP CA C 76 55.856 55.856 57.164 -1.308 25837 155 1 1 . 1 1 76 76 TRP CB C 76 31.437 31.437 29.949 1.488 25837 156 1 1 . 1 1 76 76 TRP H H 76 9.097 9.097 8.379 0.718 25837 157 1 1 . 1 1 77 77 THR N N 77 117.433 117.433 114.849 2.584 25837 158 1 1 . 1 1 77 77 THR HA H 77 4.106 4.106 4.272 -0.166 25837 159 1 1 . 1 1 77 77 THR C C 77 174.996 174.996 175.358 -0.362 25837 160 1 1 . 1 1 77 77 THR CA C 77 64.410 64.410 63.652 0.758 25837 161 1 1 . 1 1 77 77 THR CB C 77 69.516 69.516 68.749 0.767 25837 162 1 1 . 1 1 77 77 THR H H 77 9.012 9.012 8.942 0.070 25837 163 1 1 . 1 1 78 78 ASP N N 78 119.514 119.514 121.890 -2.376 25837 164 1 1 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.781 -0.352 25837 165 1 1 . 1 1 78 78 ASP C C 78 174.996 174.996 176.962 -1.966 25837 166 1 1 . 1 1 78 78 ASP CA C 78 54.957 54.957 54.565 0.392 25837 167 1 1 . 1 1 78 78 ASP CB C 78 40.082 40.082 40.054 0.028 25837 168 1 1 . 1 1 78 78 ASP H H 78 8.805 8.805 8.783 0.022 25837 169 1 1 . 1 1 79 79 MET N N 79 115.174 115.174 118.213 -3.039 25837 170 1 1 . 1 1 79 79 MET HA H 79 4.750 4.750 4.272 0.478 25837 171 1 1 . 1 1 79 79 MET C C 79 175.350 175.350 177.369 -2.019 25837 172 1 1 . 1 1 79 79 MET CA C 79 55.038 55.038 58.635 -3.597 25837 173 1 1 . 1 1 79 79 MET CB C 79 34.134 34.134 31.734 2.400 25837 174 1 1 . 1 1 79 79 MET H H 79 7.648 7.648 7.590 0.058 25837 175 1 1 . 1 1 80 80 SER N N 80 110.575 110.575 116.499 -5.924 25837 176 1 1 . 1 1 80 80 SER HA H 80 4.291 4.291 4.270 0.021 25837 177 1 1 . 1 1 80 80 SER C C 80 174.342 174.342 174.970 -0.628 25837 178 1 1 . 1 1 80 80 SER CA C 80 60.200 60.200 60.743 -0.543 25837 179 1 1 . 1 1 80 80 SER CB C 80 63.500 63.500 62.965 0.535 25837 180 1 1 . 1 1 80 80 SER H H 80 8.065 8.065 8.201 -0.136 25837 181 1 1 . 1 1 81 81 ASP N N 81 120.165 120.165 120.931 -0.766 25837 182 1 1 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.772 -0.073 25837 183 1 1 . 1 1 81 81 ASP C C 81 175.568 175.568 174.668 0.900 25837 184 1 1 . 1 1 81 81 ASP CA C 81 54.303 54.303 53.692 0.611 25837 185 1 1 . 1 1 81 81 ASP CB C 81 41.186 41.186 41.729 -0.543 25837 186 1 1 . 1 1 81 81 ASP H H 81 8.101 8.101 7.990 0.111 25837 187 1 1 . 1 1 82 82 ALA N N 82 127.921 127.921 124.843 3.078 25837 188 1 1 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.262 0.777 25837 189 1 1 . 1 1 82 82 ALA C C 82 177.584 177.584 176.609 0.975 25837 190 1 1 . 1 1 82 82 ALA CA C 82 51.905 51.905 53.360 -1.455 25837 191 1 1 . 1 1 82 82 ALA CB C 82 19.752 19.752 19.774 -0.022 25837 192 1 1 . 1 1 82 82 ALA H H 82 8.461 8.461 7.565 0.896 25837 193 1 1 . 1 1 83 83 THR N N 83 111.593 111.593 116.846 -5.253 25837 194 1 1 . 1 1 83 83 THR HA H 83 4.666 4.666 4.725 -0.059 25837 195 1 1 . 1 1 83 83 THR C C 83 173.116 173.116 173.736 -0.620 25837 196 1 1 . 1 1 83 83 THR CA C 83 59.588 59.588 60.023 -0.435 25837 197 1 1 . 1 1 83 83 THR CB C 83 70.919 70.919 71.041 -0.122 25837 198 1 1 . 1 1 83 83 THR H H 83 8.613 8.613 8.137 0.476 25837 199 1 1 . 1 1 84 84 TRP N N 84 123.175 123.175 127.648 -4.473 25837 200 1 1 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.131 -0.198 25837 201 1 1 . 1 1 84 84 TRP C C 84 176.930 176.930 175.949 0.981 25837 202 1 1 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.817 -0.308 25837 203 1 1 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.447 0.123 25837 204 1 1 . 1 1 84 84 TRP H H 84 8.525 8.525 8.883 -0.358 25837 205 1 1 . 1 1 85 85 GLU N N 85 125.264 125.264 124.248 1.016 25837 206 1 1 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.001 0.173 25837 207 1 1 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.364 -1.350 25837 208 1 1 . 1 1 85 85 GLU CB C 85 32.336 32.336 31.822 0.514 25837 209 1 1 . 1 1 85 85 GLU H H 85 9.790 9.790 9.176 0.614 25837 210 1 1 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.998 -0.295 25837 211 1 1 . 1 1 86 86 PRO C C 86 178.210 178.210 178.545 -0.335 25837 212 1 1 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.853 -0.177 25837 213 1 1 . 1 1 86 86 PRO CB C 86 32.373 32.373 33.042 -0.669 25837 214 1 1 . 1 1 87 87 GLN N N 87 118.980 118.980 124.357 -5.377 25837 215 1 1 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.027 0.053 25837 216 1 1 . 1 1 87 87 GLN C C 87 176.385 176.385 177.361 -0.976 25837 217 1 1 . 1 1 87 87 GLN CA C 87 59.642 59.642 59.501 0.141 25837 218 1 1 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.326 0.622 25837 219 1 1 . 1 1 87 87 GLN H H 87 8.525 8.525 8.368 0.157 25837 220 1 1 . 1 1 88 88 ASP N N 88 116.080 116.080 116.450 -0.370 25837 221 1 1 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.442 0.097 25837 222 1 1 . 1 1 88 88 ASP C C 88 176.303 176.303 177.050 -0.747 25837 223 1 1 . 1 1 88 88 ASP CA C 88 55.910 55.910 56.729 -0.819 25837 224 1 1 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.271 -0.329 25837 225 1 1 . 1 1 88 88 ASP H H 88 8.632 8.632 8.663 -0.031 25837 226 1 1 . 1 1 89 89 ASN N N 89 116.500 116.500 115.715 0.785 25837 227 1 1 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.813 0.195 25837 228 1 1 . 1 1 89 89 ASN C C 89 174.505 174.505 175.744 -1.239 25837 229 1 1 . 1 1 89 89 ASN CA C 89 52.368 52.368 53.804 -1.436 25837 230 1 1 . 1 1 89 89 ASN CB C 89 39.665 39.665 40.307 -0.642 25837 231 1 1 . 1 1 89 89 ASN H H 89 8.337 8.337 8.077 0.260 25837 232 1 1 . 1 1 90 90 VAL N N 90 119.615 119.615 121.283 -1.668 25837 233 1 1 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.924 0.718 25837 234 1 1 . 1 1 90 90 VAL C C 90 174.451 174.451 175.347 -0.896 25837 235 1 1 . 1 1 90 90 VAL CA C 90 61.441 61.441 63.060 -1.619 25837 236 1 1 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.417 0.887 25837 237 1 1 . 1 1 90 90 VAL H H 90 7.349 7.349 7.634 -0.285 25837 238 1 1 . 1 1 91 91 ASP N N 91 128.142 128.142 125.446 2.696 25837 239 1 1 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.460 -0.103 25837 240 1 1 . 1 1 91 91 ASP C C 91 177.475 177.475 177.322 0.153 25837 241 1 1 . 1 1 91 91 ASP CA C 91 55.283 55.283 54.806 0.477 25837 242 1 1 . 1 1 91 91 ASP CB C 91 42.154 42.154 41.537 0.617 25837 243 1 1 . 1 1 91 91 ASP H H 91 8.512 8.512 8.384 0.128 25837 244 1 1 . 1 1 92 92 SER N N 92 122.911 122.911 122.232 0.679 25837 245 1 1 . 1 1 92 92 SER HA H 92 3.903 3.903 4.160 -0.257 25837 246 1 1 . 1 1 92 92 SER C C 92 176.603 176.603 176.469 0.134 25837 247 1 1 . 1 1 92 92 SER CA C 92 61.686 61.686 61.252 0.434 25837 248 1 1 . 1 1 92 92 SER CB C 92 62.551 62.551 63.090 -0.539 25837 249 1 1 . 1 1 92 92 SER H H 92 8.854 8.854 8.701 0.153 25837 250 1 1 . 1 1 93 93 THR N N 93 118.505 118.505 120.416 -1.911 25837 251 1 1 . 1 1 93 93 THR HA H 93 3.938 3.938 4.042 -0.104 25837 252 1 1 . 1 1 93 93 THR C C 93 176.521 176.521 176.414 0.107 25837 253 1 1 . 1 1 93 93 THR CA C 93 66.072 66.072 65.951 0.120 25837 254 1 1 . 1 1 93 93 THR CB C 93 68.129 68.129 68.568 -0.439 25837 255 1 1 . 1 1 93 93 THR H H 93 8.580 8.580 7.495 1.085 25837 256 1 1 . 1 1 94 94 LEU N N 94 120.120 120.120 121.568 -1.448 25837 257 1 1 . 1 1 94 94 LEU HA H 94 4.044 4.044 3.919 0.125 25837 258 1 1 . 1 1 94 94 LEU C C 94 180.362 180.362 178.594 1.768 25837 259 1 1 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.508 -0.295 25837 260 1 1 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.445 0.242 25837 261 1 1 . 1 1 94 94 LEU H H 94 7.415 7.415 7.980 -0.565 25837 262 1 1 . 1 1 95 95 VAL N N 95 120.455 120.455 119.549 0.906 25837 263 1 1 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.175 -0.077 25837 264 1 1 . 1 1 95 95 VAL C C 95 177.338 177.338 177.767 -0.429 25837 265 1 1 . 1 1 95 95 VAL CA C 95 66.726 66.726 66.757 -0.031 25837 266 1 1 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.422 -0.054 25837 267 1 1 . 1 1 95 95 VAL H H 95 7.151 7.151 7.968 -0.817 25837 268 1 1 . 1 1 96 96 LEU N N 96 120.561 120.561 118.433 2.128 25837 269 1 1 . 1 1 96 96 LEU HA H 96 4.055 4.055 4.035 0.020 25837 270 1 1 . 1 1 96 96 LEU C C 96 179.245 179.245 179.321 -0.076 25837 271 1 1 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.725 0.335 25837 272 1 1 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.404 -0.073 25837 273 1 1 . 1 1 96 96 LEU H H 96 7.900 7.900 8.067 -0.167 25837 274 1 1 . 1 1 97 97 LEU N N 97 118.021 118.021 117.212 0.809 25837 275 1 1 . 1 1 97 97 LEU HA H 97 4.045 4.045 3.981 0.064 25837 276 1 1 . 1 1 97 97 LEU C C 97 179.409 179.409 178.525 0.884 25837 277 1 1 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.318 0.330 25837 278 1 1 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.545 0.125 25837 279 1 1 . 1 1 97 97 LEU H H 97 7.610 7.610 7.606 0.004 25837 280 1 1 . 1 1 98 98 TYR N N 98 120.085 120.085 119.336 0.749 25837 281 1 1 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.176 0.115 25837 282 1 1 . 1 1 98 98 TYR C C 98 177.910 177.910 177.733 0.177 25837 283 1 1 . 1 1 98 98 TYR CA C 98 60.678 60.678 61.033 -0.355 25837 284 1 1 . 1 1 98 98 TYR CB C 98 37.798 37.798 39.423 -1.625 25837 285 1 1 . 1 1 98 98 TYR H H 98 7.486 7.486 7.580 -0.094 25837 286 1 1 . 1 1 99 99 GLN N N 99 119.291 119.291 117.647 1.644 25837 287 1 1 . 1 1 99 99 GLN HA H 99 3.768 3.768 3.925 -0.157 25837 288 1 1 . 1 1 99 99 GLN C C 99 178.210 178.210 178.885 -0.675 25837 289 1 1 . 1 1 99 99 GLN CA C 99 58.090 58.090 59.028 -0.938 25837 290 1 1 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.560 -0.165 25837 291 1 1 . 1 1 99 99 GLN H H 99 8.486 8.486 8.719 -0.233 25837 292 1 1 . 1 1 100 100 GLN N N 100 116.903 116.903 115.442 1.461 25837 293 1 1 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.151 -0.032 25837 294 1 1 . 1 1 100 100 GLN C C 100 176.603 176.603 176.958 -0.355 25837 295 1 1 . 1 1 100 100 GLN CA C 100 57.163 57.163 56.908 0.255 25837 296 1 1 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.151 0.382 25837 297 1 1 . 1 1 100 100 GLN H H 100 8.028 8.028 7.927 0.101 25837 298 1 1 . 1 1 101 101 GLN N N 101 117.138 117.138 116.371 0.767 25837 299 1 1 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.147 0.109 25837 300 1 1 . 1 1 101 101 GLN C C 101 175.786 175.786 176.199 -0.413 25837 301 1 1 . 1 1 101 101 GLN CA C 101 55.719 55.719 55.963 -0.244 25837 302 1 1 . 1 1 101 101 GLN CB C 101 28.965 28.965 28.881 0.084 25837 303 1 1 . 1 1 101 101 GLN H H 101 7.518 7.518 7.355 0.163 25837 304 1 1 . 1 1 102 102 GLN N N 102 120.384 120.384 119.845 0.539 25837 305 1 1 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.450 -0.010 25837 306 1 1 . 1 1 102 102 GLN CA C 102 53.431 53.431 53.125 0.306 25837 307 1 1 . 1 1 102 102 GLN CB C 102 27.980 27.980 28.329 -0.349 25837 308 1 1 . 1 1 102 102 GLN H H 102 7.689 7.689 7.310 0.379 25837 309 1 1 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.367 0.025 25837 310 1 1 . 1 1 103 103 PRO C C 103 176.875 176.875 175.557 1.318 25837 311 1 1 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.254 -0.144 25837 312 1 1 . 1 1 103 103 PRO CB C 103 31.883 31.883 30.777 1.106 25837 313 1 1 . 1 1 104 104 MET N N 104 120.498 120.498 123.151 -2.653 25837 314 1 1 . 1 1 104 104 MET HA H 104 4.429 4.429 4.490 -0.061 25837 315 1 1 . 1 1 104 104 MET C C 104 175.786 175.786 175.581 0.205 25837 316 1 1 . 1 1 104 104 MET CA C 104 55.365 55.365 55.465 -0.100 25837 317 1 1 . 1 1 104 104 MET CB C 104 32.682 32.682 33.773 -1.091 25837 318 1 1 . 1 1 104 104 MET H H 104 8.461 8.461 7.861 0.600 25837 319 1 1 . 1 1 105 105 ASN N N 105 120.052 120.052 122.727 -2.675 25837 320 1 1 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.540 0.183 25837 321 1 1 . 1 1 105 105 ASN C C 105 173.933 173.933 174.754 -0.821 25837 322 1 1 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.566 -0.244 25837 323 1 1 . 1 1 105 105 ASN CB C 105 38.974 38.974 37.922 1.052 25837 324 1 1 . 1 1 105 105 ASN H H 105 8.439 8.439 8.815 -0.376 25837 325 1 2 . 1 1 50 50 LEU N N 50 121.638 121.638 124.309 -2.671 25837 326 1 2 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.478 -0.258 25837 327 1 2 . 1 1 50 50 LEU C C 50 177.393 177.393 176.290 1.103 25837 328 1 2 . 1 1 50 50 LEU CA C 50 55.098 55.098 54.170 0.928 25837 329 1 2 . 1 1 50 50 LEU CB C 50 42.293 42.293 41.539 0.754 25837 330 1 2 . 1 1 50 50 LEU H H 50 8.002 8.002 8.084 -0.082 25837 331 1 2 . 1 1 51 51 GLU N N 51 120.898 120.898 119.872 1.026 25837 332 1 2 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.129 -0.025 25837 333 1 2 . 1 1 51 51 GLU C C 51 175.840 175.840 176.704 -0.864 25837 334 1 2 . 1 1 51 51 GLU CA C 51 56.564 56.564 57.220 -0.656 25837 335 1 2 . 1 1 51 51 GLU CB C 51 29.821 29.821 29.440 0.381 25837 336 1 2 . 1 1 51 51 GLU H H 51 8.544 8.544 7.820 0.724 25837 337 1 2 . 1 1 52 52 TYR N N 52 118.796 118.796 119.520 -0.724 25837 338 1 2 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.496 -0.044 25837 339 1 2 . 1 1 52 52 TYR C C 52 174.723 174.723 175.309 -0.586 25837 340 1 2 . 1 1 52 52 TYR CA C 52 57.109 57.109 57.041 0.068 25837 341 1 2 . 1 1 52 52 TYR CB C 52 38.430 38.430 39.319 -0.889 25837 342 1 2 . 1 1 52 52 TYR H H 52 7.787 7.787 7.540 0.247 25837 343 1 2 . 1 1 53 53 ALA N N 53 125.078 125.078 121.070 4.008 25837 344 1 2 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.450 -0.108 25837 345 1 2 . 1 1 53 53 ALA C C 53 176.467 176.467 176.663 -0.196 25837 346 1 2 . 1 1 53 53 ALA CA C 53 51.932 51.932 52.493 -0.561 25837 347 1 2 . 1 1 53 53 ALA CB C 53 20.153 20.153 18.326 1.827 25837 348 1 2 . 1 1 53 53 ALA H H 53 7.848 7.848 8.443 -0.595 25837 349 1 2 . 1 1 54 54 VAL N N 54 120.277 120.277 122.762 -2.485 25837 350 1 2 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.394 0.054 25837 351 1 2 . 1 1 54 54 VAL C C 54 175.867 175.867 175.553 0.314 25837 352 1 2 . 1 1 54 54 VAL CA C 54 61.333 61.333 61.697 -0.364 25837 353 1 2 . 1 1 54 54 VAL CB C 54 33.990 33.990 32.894 1.096 25837 354 1 2 . 1 1 54 54 VAL H H 54 8.622 8.622 8.391 0.231 25837 355 1 2 . 1 1 55 55 ALA N N 55 131.772 131.772 131.868 -0.096 25837 356 1 2 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.653 0.152 25837 357 1 2 . 1 1 55 55 ALA C C 55 175.758 175.758 176.978 -1.220 25837 358 1 2 . 1 1 55 55 ALA CA C 55 52.831 52.831 53.005 -0.174 25837 359 1 2 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.927 1.134 25837 360 1 2 . 1 1 55 55 ALA H H 55 8.973 8.973 8.869 0.104 25837 361 1 2 . 1 1 56 56 GLU N N 56 123.274 123.274 125.058 -1.784 25837 362 1 2 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.301 -0.058 25837 363 1 2 . 1 1 56 56 GLU C C 56 176.058 176.058 176.759 -0.701 25837 364 1 2 . 1 1 56 56 GLU CA C 56 57.245 57.245 58.021 -0.776 25837 365 1 2 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.717 1.342 25837 366 1 2 . 1 1 56 56 GLU H H 56 9.357 9.357 8.641 0.716 25837 367 1 2 . 1 1 57 57 SER N N 57 108.822 108.822 110.787 -1.965 25837 368 1 2 . 1 1 57 57 SER HA H 57 4.406 4.406 4.548 -0.142 25837 369 1 2 . 1 1 57 57 SER C C 57 171.400 171.400 172.151 -0.751 25837 370 1 2 . 1 1 57 57 SER CA C 57 57.463 57.463 57.250 0.213 25837 371 1 2 . 1 1 57 57 SER CB C 57 64.855 64.855 66.676 -1.821 25837 372 1 2 . 1 1 57 57 SER H H 57 7.646 7.646 7.894 -0.248 25837 373 1 2 . 1 1 58 58 VAL N N 58 121.411 121.411 120.928 0.483 25837 374 1 2 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.431 0.010 25837 375 1 2 . 1 1 58 58 VAL C C 58 175.731 175.731 175.113 0.618 25837 376 1 2 . 1 1 58 58 VAL CA C 58 61.133 61.133 61.447 -0.314 25837 377 1 2 . 1 1 58 58 VAL CB C 58 32.958 32.958 33.603 -0.645 25837 378 1 2 . 1 1 58 58 VAL H H 58 8.566 8.566 8.587 -0.021 25837 379 1 2 . 1 1 59 59 ILE N N 59 116.198 116.198 119.392 -3.194 25837 380 1 2 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.781 -0.139 25837 381 1 2 . 1 1 59 59 ILE C C 59 175.568 175.568 175.021 0.547 25837 382 1 2 . 1 1 59 59 ILE CA C 59 60.514 60.514 60.080 0.434 25837 383 1 2 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.884 -0.357 25837 384 1 2 . 1 1 59 59 ILE H H 59 8.840 8.840 8.521 0.319 25837 385 1 2 . 1 1 60 60 GLY N N 60 110.098 110.098 108.754 1.344 25837 386 1 2 . 1 1 60 60 GLY C C 60 170.392 170.392 171.997 -1.605 25837 387 1 2 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.352 1.423 25837 388 1 2 . 1 1 60 60 GLY H H 60 6.985 6.985 7.299 -0.314 25837 389 1 2 . 1 1 61 61 LYS N N 61 121.033 121.033 122.049 -1.016 25837 390 1 2 . 1 1 61 61 LYS HA H 61 5.398 5.398 4.849 0.549 25837 391 1 2 . 1 1 61 61 LYS C C 61 173.879 173.879 175.234 -1.355 25837 392 1 2 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.603 0.416 25837 393 1 2 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.704 1.265 25837 394 1 2 . 1 1 61 61 LYS H H 61 8.677 8.677 8.702 -0.025 25837 395 1 2 . 1 1 62 62 ARG N N 62 124.198 124.198 126.111 -1.913 25837 396 1 2 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.646 0.031 25837 397 1 2 . 1 1 62 62 ARG C C 62 172.626 172.626 174.281 -1.655 25837 398 1 2 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.676 0.736 25837 399 1 2 . 1 1 62 62 ARG CB C 62 32.405 32.405 31.859 0.546 25837 400 1 2 . 1 1 62 62 ARG H H 62 9.334 9.334 8.986 0.348 25837 401 1 2 . 1 1 63 63 VAL N N 63 119.879 119.879 124.772 -4.893 25837 402 1 2 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.137 0.191 25837 403 1 2 . 1 1 63 63 VAL C C 63 176.576 176.576 176.026 0.550 25837 404 1 2 . 1 1 63 63 VAL CA C 63 61.550 61.550 61.206 0.344 25837 405 1 2 . 1 1 63 63 VAL CB C 63 32.198 32.198 32.091 0.107 25837 406 1 2 . 1 1 63 63 VAL H H 63 8.093 8.093 8.523 -0.430 25837 407 1 2 . 1 1 64 64 GLY N N 64 113.318 113.318 115.825 -2.507 25837 408 1 2 . 1 1 64 64 GLY C C 64 174.669 174.669 175.499 -0.830 25837 409 1 2 . 1 1 64 64 GLY CA C 64 44.277 44.277 44.955 -0.677 25837 410 1 2 . 1 1 64 64 GLY H H 64 9.036 9.036 8.093 0.943 25837 411 1 2 . 1 1 65 65 ASP N N 65 120.277 120.277 124.229 -3.952 25837 412 1 2 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.412 -0.200 25837 413 1 2 . 1 1 65 65 ASP C C 65 176.576 176.576 177.186 -0.610 25837 414 1 2 . 1 1 65 65 ASP CA C 65 56.508 56.508 56.425 0.083 25837 415 1 2 . 1 1 65 65 ASP CB C 65 40.080 40.080 41.095 -1.015 25837 416 1 2 . 1 1 65 65 ASP H H 65 8.676 8.676 8.578 0.098 25837 417 1 2 . 1 1 66 66 ASP N N 66 116.944 116.944 117.221 -0.277 25837 418 1 2 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.653 -0.292 25837 419 1 2 . 1 1 66 66 ASP C C 66 177.502 177.502 175.839 1.663 25837 420 1 2 . 1 1 66 66 ASP CA C 66 53.703 53.703 53.247 0.456 25837 421 1 2 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.903 -1.238 25837 422 1 2 . 1 1 66 66 ASP H H 66 8.102 8.102 8.226 -0.124 25837 423 1 2 . 1 1 67 67 GLY N N 67 108.288 108.288 107.599 0.689 25837 424 1 2 . 1 1 67 67 GLY C C 67 177.938 177.938 173.913 4.025 25837 425 1 2 . 1 1 67 67 GLY CA C 67 45.716 45.716 44.715 1.001 25837 426 1 2 . 1 1 67 67 GLY H H 67 8.268 8.268 7.438 0.830 25837 427 1 2 . 1 1 68 68 LYS N N 68 119.172 119.172 120.906 -1.734 25837 428 1 2 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.296 0.131 25837 429 1 2 . 1 1 68 68 LYS C C 68 175.786 175.786 176.552 -0.766 25837 430 1 2 . 1 1 68 68 LYS CA C 68 57.027 57.027 56.025 1.002 25837 431 1 2 . 1 1 68 68 LYS CB C 68 35.793 35.793 33.289 2.504 25837 432 1 2 . 1 1 68 68 LYS H H 68 8.483 8.483 7.905 0.578 25837 433 1 2 . 1 1 69 69 THR N N 69 122.302 122.302 119.454 2.848 25837 434 1 2 . 1 1 69 69 THR HA H 69 4.035 4.035 4.156 -0.121 25837 435 1 2 . 1 1 69 69 THR C C 69 173.279 173.279 174.341 -1.062 25837 436 1 2 . 1 1 69 69 THR CA C 69 64.029 64.029 63.991 0.038 25837 437 1 2 . 1 1 69 69 THR CB C 69 68.428 68.428 69.123 -0.695 25837 438 1 2 . 1 1 69 69 THR H H 69 9.858 9.858 8.306 1.552 25837 439 1 2 . 1 1 70 70 ILE N N 70 128.434 128.434 128.632 -0.198 25837 440 1 2 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.364 -0.011 25837 441 1 2 . 1 1 70 70 ILE C C 70 174.805 174.805 175.378 -0.573 25837 442 1 2 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.477 -1.371 25837 443 1 2 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.554 -0.101 25837 444 1 2 . 1 1 70 70 ILE H H 70 8.371 8.371 8.512 -0.141 25837 445 1 2 . 1 1 71 71 GLU N N 71 125.034 125.034 126.414 -1.380 25837 446 1 2 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.945 0.091 25837 447 1 2 . 1 1 71 71 GLU C C 71 174.315 174.315 175.280 -0.965 25837 448 1 2 . 1 1 71 71 GLU CA C 71 53.513 53.513 54.780 -1.267 25837 449 1 2 . 1 1 71 71 GLU CB C 71 34.341 34.341 33.222 1.119 25837 450 1 2 . 1 1 71 71 GLU H H 71 8.709 8.709 8.516 0.193 25837 451 1 2 . 1 1 72 72 TYR N N 72 117.954 117.954 119.801 -1.847 25837 452 1 2 . 1 1 72 72 TYR HA H 72 5.219 5.219 5.021 0.198 25837 453 1 2 . 1 1 72 72 TYR C C 72 173.198 173.198 174.731 -1.533 25837 454 1 2 . 1 1 72 72 TYR CA C 72 56.537 56.537 56.842 -0.305 25837 455 1 2 . 1 1 72 72 TYR CB C 72 41.809 41.809 41.977 -0.168 25837 456 1 2 . 1 1 72 72 TYR H H 72 9.301 9.301 9.462 -0.161 25837 457 1 2 . 1 1 73 73 LEU N N 73 127.621 127.621 125.262 2.359 25837 458 1 2 . 1 1 73 73 LEU HA H 73 3.630 3.630 3.878 -0.248 25837 459 1 2 . 1 1 73 73 LEU C C 73 173.960 173.960 174.975 -1.015 25837 460 1 2 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.983 -1.070 25837 461 1 2 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.471 -2.525 25837 462 1 2 . 1 1 73 73 LEU H H 73 7.464 7.464 8.110 -0.646 25837 463 1 2 . 1 1 74 74 VAL N N 74 129.811 129.811 127.249 2.562 25837 464 1 2 . 1 1 74 74 VAL HA H 74 3.975 3.975 4.034 -0.059 25837 465 1 2 . 1 1 74 74 VAL C C 74 173.960 173.960 175.062 -1.102 25837 466 1 2 . 1 1 74 74 VAL CA C 74 62.013 62.013 61.680 0.333 25837 467 1 2 . 1 1 74 74 VAL CB C 74 33.650 33.650 32.345 1.305 25837 468 1 2 . 1 1 74 74 VAL H H 74 9.114 9.114 8.559 0.555 25837 469 1 2 . 1 1 75 75 LYS N N 75 124.830 124.830 128.432 -3.602 25837 470 1 2 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.491 -0.177 25837 471 1 2 . 1 1 75 75 LYS C C 75 175.105 175.105 175.735 -0.630 25837 472 1 2 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.671 -0.450 25837 473 1 2 . 1 1 75 75 LYS CB C 75 33.511 33.511 31.784 1.727 25837 474 1 2 . 1 1 75 75 LYS H H 75 8.239 8.239 8.622 -0.383 25837 475 1 2 . 1 1 76 76 TRP N N 76 129.121 129.121 125.769 3.352 25837 476 1 2 . 1 1 76 76 TRP HA H 76 4.855 4.855 4.865 -0.010 25837 477 1 2 . 1 1 76 76 TRP C C 76 177.148 177.148 178.139 -0.991 25837 478 1 2 . 1 1 76 76 TRP CA C 76 55.856 55.856 57.249 -1.393 25837 479 1 2 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.096 1.341 25837 480 1 2 . 1 1 76 76 TRP H H 76 9.097 9.097 8.350 0.747 25837 481 1 2 . 1 1 77 77 THR N N 77 117.433 117.433 115.525 1.908 25837 482 1 2 . 1 1 77 77 THR HA H 77 4.106 4.106 4.205 -0.099 25837 483 1 2 . 1 1 77 77 THR C C 77 174.996 174.996 175.161 -0.165 25837 484 1 2 . 1 1 77 77 THR CA C 77 64.410 64.410 64.292 0.118 25837 485 1 2 . 1 1 77 77 THR CB C 77 69.516 69.516 68.671 0.845 25837 486 1 2 . 1 1 77 77 THR H H 77 9.012 9.012 8.796 0.216 25837 487 1 2 . 1 1 78 78 ASP N N 78 119.514 119.514 121.958 -2.444 25837 488 1 2 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.815 -0.386 25837 489 1 2 . 1 1 78 78 ASP C C 78 174.996 174.996 176.921 -1.925 25837 490 1 2 . 1 1 78 78 ASP CA C 78 54.957 54.957 54.881 0.076 25837 491 1 2 . 1 1 78 78 ASP CB C 78 40.082 40.082 39.995 0.087 25837 492 1 2 . 1 1 78 78 ASP H H 78 8.805 8.805 8.802 0.003 25837 493 1 2 . 1 1 79 79 MET N N 79 115.174 115.174 117.716 -2.542 25837 494 1 2 . 1 1 79 79 MET HA H 79 4.750 4.750 4.302 0.448 25837 495 1 2 . 1 1 79 79 MET C C 79 175.350 175.350 177.257 -1.907 25837 496 1 2 . 1 1 79 79 MET CA C 79 55.038 55.038 58.300 -3.262 25837 497 1 2 . 1 1 79 79 MET CB C 79 34.134 34.134 31.695 2.438 25837 498 1 2 . 1 1 79 79 MET H H 79 7.648 7.648 7.561 0.087 25837 499 1 2 . 1 1 80 80 SER N N 80 110.575 110.575 116.344 -5.769 25837 500 1 2 . 1 1 80 80 SER HA H 80 4.291 4.291 4.276 0.015 25837 501 1 2 . 1 1 80 80 SER C C 80 174.342 174.342 174.905 -0.563 25837 502 1 2 . 1 1 80 80 SER CA C 80 60.200 60.200 60.679 -0.479 25837 503 1 2 . 1 1 80 80 SER CB C 80 63.500 63.500 62.899 0.601 25837 504 1 2 . 1 1 80 80 SER H H 80 8.065 8.065 8.162 -0.097 25837 505 1 2 . 1 1 81 81 ASP N N 81 120.165 120.165 121.452 -1.287 25837 506 1 2 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.786 -0.087 25837 507 1 2 . 1 1 81 81 ASP C C 81 175.568 175.568 174.652 0.916 25837 508 1 2 . 1 1 81 81 ASP CA C 81 54.303 54.303 53.594 0.709 25837 509 1 2 . 1 1 81 81 ASP CB C 81 41.186 41.186 41.039 0.147 25837 510 1 2 . 1 1 81 81 ASP H H 81 8.101 8.101 7.895 0.206 25837 511 1 2 . 1 1 82 82 ALA N N 82 127.921 127.921 123.086 4.835 25837 512 1 2 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.385 0.654 25837 513 1 2 . 1 1 82 82 ALA C C 82 177.584 177.584 177.086 0.498 25837 514 1 2 . 1 1 82 82 ALA CA C 82 51.905 51.905 53.197 -1.292 25837 515 1 2 . 1 1 82 82 ALA CB C 82 19.752 19.752 19.309 0.443 25837 516 1 2 . 1 1 82 82 ALA H H 82 8.461 8.461 7.477 0.984 25837 517 1 2 . 1 1 83 83 THR N N 83 111.593 111.593 117.568 -5.975 25837 518 1 2 . 1 1 83 83 THR HA H 83 4.666 4.666 4.730 -0.064 25837 519 1 2 . 1 1 83 83 THR C C 83 173.116 173.116 173.738 -0.622 25837 520 1 2 . 1 1 83 83 THR CA C 83 59.588 59.588 59.791 -0.203 25837 521 1 2 . 1 1 83 83 THR CB C 83 70.919 70.919 71.135 -0.216 25837 522 1 2 . 1 1 83 83 THR H H 83 8.613 8.613 7.970 0.643 25837 523 1 2 . 1 1 84 84 TRP N N 84 123.175 123.175 127.468 -4.293 25837 524 1 2 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.118 -0.185 25837 525 1 2 . 1 1 84 84 TRP C C 84 176.930 176.930 175.928 1.002 25837 526 1 2 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.776 -0.267 25837 527 1 2 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.368 0.202 25837 528 1 2 . 1 1 84 84 TRP H H 84 8.525 8.525 8.895 -0.370 25837 529 1 2 . 1 1 85 85 GLU N N 85 125.264 125.264 123.912 1.352 25837 530 1 2 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.035 0.139 25837 531 1 2 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.169 -1.155 25837 532 1 2 . 1 1 85 85 GLU CB C 85 32.336 32.336 31.861 0.475 25837 533 1 2 . 1 1 85 85 GLU H H 85 9.790 9.790 9.312 0.478 25837 534 1 2 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.808 -0.105 25837 535 1 2 . 1 1 86 86 PRO C C 86 178.210 178.210 178.312 -0.102 25837 536 1 2 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.931 -0.256 25837 537 1 2 . 1 1 86 86 PRO CB C 86 32.373 32.373 33.042 -0.669 25837 538 1 2 . 1 1 87 87 GLN N N 87 118.980 118.980 124.122 -5.142 25837 539 1 2 . 1 1 87 87 GLN HA H 87 4.080 4.080 3.961 0.119 25837 540 1 2 . 1 1 87 87 GLN C C 87 176.385 176.385 176.757 -0.372 25837 541 1 2 . 1 1 87 87 GLN CA C 87 59.642 59.642 59.998 -0.356 25837 542 1 2 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.543 0.405 25837 543 1 2 . 1 1 87 87 GLN H H 87 8.525 8.525 8.359 0.166 25837 544 1 2 . 1 1 88 88 ASP N N 88 116.080 116.080 115.352 0.728 25837 545 1 2 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.501 0.038 25837 546 1 2 . 1 1 88 88 ASP C C 88 176.303 176.303 177.054 -0.751 25837 547 1 2 . 1 1 88 88 ASP CA C 88 55.910 55.910 56.186 -0.276 25837 548 1 2 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.431 -0.489 25837 549 1 2 . 1 1 88 88 ASP H H 88 8.632 8.632 8.613 0.019 25837 550 1 2 . 1 1 89 89 ASN N N 89 116.500 116.500 116.569 -0.069 25837 551 1 2 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.763 0.245 25837 552 1 2 . 1 1 89 89 ASN C C 89 174.505 174.505 175.972 -1.467 25837 553 1 2 . 1 1 89 89 ASN CA C 89 52.368 52.368 54.129 -1.761 25837 554 1 2 . 1 1 89 89 ASN CB C 89 39.665 39.665 40.013 -0.348 25837 555 1 2 . 1 1 89 89 ASN H H 89 8.337 8.337 8.040 0.297 25837 556 1 2 . 1 1 90 90 VAL N N 90 119.615 119.615 121.314 -1.699 25837 557 1 2 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.892 0.750 25837 558 1 2 . 1 1 90 90 VAL C C 90 174.451 174.451 175.264 -0.813 25837 559 1 2 . 1 1 90 90 VAL CA C 90 61.441 61.441 62.837 -1.396 25837 560 1 2 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.309 0.995 25837 561 1 2 . 1 1 90 90 VAL H H 90 7.349 7.349 7.668 -0.319 25837 562 1 2 . 1 1 91 91 ASP N N 91 128.142 128.142 124.845 3.297 25837 563 1 2 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.476 -0.119 25837 564 1 2 . 1 1 91 91 ASP C C 91 177.475 177.475 177.174 0.301 25837 565 1 2 . 1 1 91 91 ASP CA C 91 55.283 55.283 54.694 0.589 25837 566 1 2 . 1 1 91 91 ASP CB C 91 42.154 42.154 41.879 0.275 25837 567 1 2 . 1 1 91 91 ASP H H 91 8.512 8.512 8.273 0.239 25837 568 1 2 . 1 1 92 92 SER N N 92 122.911 122.911 122.876 0.035 25837 569 1 2 . 1 1 92 92 SER HA H 92 3.903 3.903 4.133 -0.230 25837 570 1 2 . 1 1 92 92 SER C C 92 176.603 176.603 176.024 0.579 25837 571 1 2 . 1 1 92 92 SER CA C 92 61.686 61.686 61.841 -0.155 25837 572 1 2 . 1 1 92 92 SER CB C 92 62.551 62.551 62.781 -0.230 25837 573 1 2 . 1 1 92 92 SER H H 92 8.854 8.854 8.678 0.176 25837 574 1 2 . 1 1 93 93 THR N N 93 118.505 118.505 119.789 -1.284 25837 575 1 2 . 1 1 93 93 THR HA H 93 3.938 3.938 4.085 -0.147 25837 576 1 2 . 1 1 93 93 THR C C 93 176.521 176.521 176.712 -0.191 25837 577 1 2 . 1 1 93 93 THR CA C 93 66.072 66.072 65.610 0.462 25837 578 1 2 . 1 1 93 93 THR CB C 93 68.129 68.129 68.432 -0.303 25837 579 1 2 . 1 1 93 93 THR H H 93 8.580 8.580 8.064 0.516 25837 580 1 2 . 1 1 94 94 LEU N N 94 120.120 120.120 121.473 -1.353 25837 581 1 2 . 1 1 94 94 LEU HA H 94 4.044 4.044 3.908 0.136 25837 582 1 2 . 1 1 94 94 LEU C C 94 180.362 180.362 178.884 1.478 25837 583 1 2 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.802 -0.589 25837 584 1 2 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.227 0.460 25837 585 1 2 . 1 1 94 94 LEU H H 94 7.415 7.415 8.476 -1.061 25837 586 1 2 . 1 1 95 95 VAL N N 95 120.455 120.455 118.929 1.526 25837 587 1 2 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.302 -0.204 25837 588 1 2 . 1 1 95 95 VAL C C 95 177.338 177.338 177.760 -0.422 25837 589 1 2 . 1 1 95 95 VAL CA C 95 66.726 66.726 67.002 -0.276 25837 590 1 2 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.172 0.195 25837 591 1 2 . 1 1 95 95 VAL H H 95 7.151 7.151 7.955 -0.804 25837 592 1 2 . 1 1 96 96 LEU N N 96 120.561 120.561 119.771 0.790 25837 593 1 2 . 1 1 96 96 LEU HA H 96 4.055 4.055 3.990 0.065 25837 594 1 2 . 1 1 96 96 LEU C C 96 179.245 179.245 178.000 1.245 25837 595 1 2 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.951 0.109 25837 596 1 2 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.724 -0.394 25837 597 1 2 . 1 1 96 96 LEU H H 96 7.900 7.900 8.040 -0.140 25837 598 1 2 . 1 1 97 97 LEU N N 97 118.021 118.021 117.513 0.508 25837 599 1 2 . 1 1 97 97 LEU HA H 97 4.045 4.045 4.028 0.017 25837 600 1 2 . 1 1 97 97 LEU C C 97 179.409 179.409 177.968 1.441 25837 601 1 2 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.313 0.335 25837 602 1 2 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.584 0.086 25837 603 1 2 . 1 1 97 97 LEU H H 97 7.610 7.610 7.554 0.056 25837 604 1 2 . 1 1 98 98 TYR N N 98 120.085 120.085 119.904 0.181 25837 605 1 2 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.279 0.012 25837 606 1 2 . 1 1 98 98 TYR C C 98 177.910 177.910 178.084 -0.174 25837 607 1 2 . 1 1 98 98 TYR CA C 98 60.678 60.678 61.484 -0.806 25837 608 1 2 . 1 1 98 98 TYR CB C 98 37.798 37.798 39.794 -1.996 25837 609 1 2 . 1 1 98 98 TYR H H 98 7.486 7.486 7.711 -0.225 25837 610 1 2 . 1 1 99 99 GLN N N 99 119.291 119.291 118.301 0.990 25837 611 1 2 . 1 1 99 99 GLN HA H 99 3.768 3.768 4.048 -0.280 25837 612 1 2 . 1 1 99 99 GLN C C 99 178.210 178.210 178.391 -0.181 25837 613 1 2 . 1 1 99 99 GLN CA C 99 58.090 58.090 59.012 -0.922 25837 614 1 2 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.677 -0.281 25837 615 1 2 . 1 1 99 99 GLN H H 99 8.486 8.486 8.928 -0.442 25837 616 1 2 . 1 1 100 100 GLN N N 100 116.903 116.903 117.116 -0.213 25837 617 1 2 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.103 0.016 25837 618 1 2 . 1 1 100 100 GLN C C 100 176.603 176.603 176.787 -0.184 25837 619 1 2 . 1 1 100 100 GLN CA C 100 57.163 57.163 57.941 -0.778 25837 620 1 2 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.284 0.249 25837 621 1 2 . 1 1 100 100 GLN H H 100 8.028 8.028 7.897 0.131 25837 622 1 2 . 1 1 101 101 GLN N N 101 117.138 117.138 116.923 0.215 25837 623 1 2 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.360 -0.104 25837 624 1 2 . 1 1 101 101 GLN C C 101 175.786 175.786 175.990 -0.204 25837 625 1 2 . 1 1 101 101 GLN CA C 101 55.719 55.719 55.149 0.570 25837 626 1 2 . 1 1 101 101 GLN CB C 101 28.965 28.965 29.003 -0.038 25837 627 1 2 . 1 1 101 101 GLN H H 101 7.518 7.518 7.491 0.027 25837 628 1 2 . 1 1 102 102 GLN N N 102 120.384 120.384 120.293 0.091 25837 629 1 2 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.566 -0.126 25837 630 1 2 . 1 1 102 102 GLN CA C 102 53.431 53.431 52.977 0.454 25837 631 1 2 . 1 1 102 102 GLN CB C 102 27.980 27.980 28.259 -0.279 25837 632 1 2 . 1 1 102 102 GLN H H 102 7.689 7.689 7.427 0.262 25837 633 1 2 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.450 -0.058 25837 634 1 2 . 1 1 103 103 PRO C C 103 176.875 176.875 176.111 0.764 25837 635 1 2 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.471 -0.360 25837 636 1 2 . 1 1 103 103 PRO CB C 103 31.883 31.883 31.196 0.687 25837 637 1 2 . 1 1 104 104 MET N N 104 120.498 120.498 124.905 -4.407 25837 638 1 2 . 1 1 104 104 MET HA H 104 4.429 4.429 4.233 0.196 25837 639 1 2 . 1 1 104 104 MET C C 104 175.786 175.786 176.558 -0.772 25837 640 1 2 . 1 1 104 104 MET CA C 104 55.365 55.365 57.485 -2.120 25837 641 1 2 . 1 1 104 104 MET CB C 104 32.682 32.682 33.066 -0.384 25837 642 1 2 . 1 1 104 104 MET H H 104 8.461 8.461 8.573 -0.112 25837 643 1 2 . 1 1 105 105 ASN N N 105 120.052 120.052 116.449 3.603 25837 644 1 2 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.688 0.035 25837 645 1 2 . 1 1 105 105 ASN C C 105 173.933 173.933 174.374 -0.441 25837 646 1 2 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.770 -0.448 25837 647 1 2 . 1 1 105 105 ASN CB C 105 38.974 38.974 38.935 0.039 25837 648 1 2 . 1 1 105 105 ASN H H 105 8.439 8.439 8.236 0.203 25837 649 1 3 . 1 1 50 50 LEU N N 50 121.638 121.638 121.002 0.636 25837 650 1 3 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.675 -0.455 25837 651 1 3 . 1 1 50 50 LEU C C 50 177.393 177.393 177.004 0.389 25837 652 1 3 . 1 1 50 50 LEU CA C 50 55.098 55.098 54.395 0.703 25837 653 1 3 . 1 1 50 50 LEU CB C 50 42.293 42.293 44.498 -2.205 25837 654 1 3 . 1 1 50 50 LEU H H 50 8.002 8.002 9.017 -1.015 25837 655 1 3 . 1 1 51 51 GLU N N 51 120.898 120.898 121.121 -0.223 25837 656 1 3 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.164 -0.060 25837 657 1 3 . 1 1 51 51 GLU C C 51 175.840 175.840 175.791 0.049 25837 658 1 3 . 1 1 51 51 GLU CA C 51 56.564 56.564 57.221 -0.657 25837 659 1 3 . 1 1 51 51 GLU CB C 51 29.821 29.821 29.907 -0.086 25837 660 1 3 . 1 1 51 51 GLU H H 51 8.544 8.544 8.716 -0.172 25837 661 1 3 . 1 1 52 52 TYR N N 52 118.796 118.796 119.159 -0.363 25837 662 1 3 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.605 -0.153 25837 663 1 3 . 1 1 52 52 TYR C C 52 174.723 174.723 174.700 0.023 25837 664 1 3 . 1 1 52 52 TYR CA C 52 57.109 57.109 56.475 0.634 25837 665 1 3 . 1 1 52 52 TYR CB C 52 38.430 38.430 40.240 -1.810 25837 666 1 3 . 1 1 52 52 TYR H H 52 7.787 7.787 7.475 0.312 25837 667 1 3 . 1 1 53 53 ALA N N 53 125.078 125.078 124.091 0.987 25837 668 1 3 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.800 -0.458 25837 669 1 3 . 1 1 53 53 ALA C C 53 176.467 176.467 176.141 0.326 25837 670 1 3 . 1 1 53 53 ALA CA C 53 51.932 51.932 51.803 0.129 25837 671 1 3 . 1 1 53 53 ALA CB C 53 20.153 20.153 20.737 -0.584 25837 672 1 3 . 1 1 53 53 ALA H H 53 7.848 7.848 8.458 -0.610 25837 673 1 3 . 1 1 54 54 VAL N N 54 120.277 120.277 122.926 -2.649 25837 674 1 3 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.363 0.085 25837 675 1 3 . 1 1 54 54 VAL C C 54 175.867 175.867 175.455 0.412 25837 676 1 3 . 1 1 54 54 VAL CA C 54 61.333 61.333 61.152 0.181 25837 677 1 3 . 1 1 54 54 VAL CB C 54 33.990 33.990 34.187 -0.196 25837 678 1 3 . 1 1 54 54 VAL H H 54 8.622 8.622 8.667 -0.045 25837 679 1 3 . 1 1 55 55 ALA N N 55 131.772 131.772 131.263 0.509 25837 680 1 3 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.707 0.098 25837 681 1 3 . 1 1 55 55 ALA C C 55 175.758 175.758 177.118 -1.360 25837 682 1 3 . 1 1 55 55 ALA CA C 55 52.831 52.831 52.149 0.682 25837 683 1 3 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.897 1.164 25837 684 1 3 . 1 1 55 55 ALA H H 55 8.973 8.973 8.723 0.250 25837 685 1 3 . 1 1 56 56 GLU N N 56 123.274 123.274 126.289 -3.015 25837 686 1 3 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.089 0.154 25837 687 1 3 . 1 1 56 56 GLU C C 56 176.058 176.058 176.553 -0.495 25837 688 1 3 . 1 1 56 56 GLU CA C 56 57.245 57.245 58.280 -1.035 25837 689 1 3 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.528 1.531 25837 690 1 3 . 1 1 56 56 GLU H H 56 9.357 9.357 9.004 0.353 25837 691 1 3 . 1 1 57 57 SER N N 57 108.822 108.822 109.849 -1.027 25837 692 1 3 . 1 1 57 57 SER HA H 57 4.406 4.406 4.533 -0.127 25837 693 1 3 . 1 1 57 57 SER C C 57 171.400 171.400 172.082 -0.682 25837 694 1 3 . 1 1 57 57 SER CA C 57 57.463 57.463 57.480 -0.017 25837 695 1 3 . 1 1 57 57 SER CB C 57 64.855 64.855 66.664 -1.809 25837 696 1 3 . 1 1 57 57 SER H H 57 7.646 7.646 7.431 0.215 25837 697 1 3 . 1 1 58 58 VAL N N 58 121.411 121.411 121.897 -0.486 25837 698 1 3 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.413 0.028 25837 699 1 3 . 1 1 58 58 VAL C C 58 175.731 175.731 175.874 -0.143 25837 700 1 3 . 1 1 58 58 VAL CA C 58 61.133 61.133 61.714 -0.581 25837 701 1 3 . 1 1 58 58 VAL CB C 58 32.958 32.958 31.639 1.319 25837 702 1 3 . 1 1 58 58 VAL H H 58 8.566 8.566 8.710 -0.144 25837 703 1 3 . 1 1 59 59 ILE N N 59 116.198 116.198 119.910 -3.712 25837 704 1 3 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.725 -0.083 25837 705 1 3 . 1 1 59 59 ILE C C 59 175.568 175.568 174.966 0.602 25837 706 1 3 . 1 1 59 59 ILE CA C 59 60.514 60.514 60.015 0.499 25837 707 1 3 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.203 0.324 25837 708 1 3 . 1 1 59 59 ILE H H 59 8.840 8.840 8.278 0.562 25837 709 1 3 . 1 1 60 60 GLY N N 60 110.098 110.098 108.972 1.126 25837 710 1 3 . 1 1 60 60 GLY C C 60 170.392 170.392 172.240 -1.848 25837 711 1 3 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.549 1.226 25837 712 1 3 . 1 1 60 60 GLY H H 60 6.985 6.985 7.355 -0.370 25837 713 1 3 . 1 1 61 61 LYS N N 61 121.033 121.033 123.298 -2.265 25837 714 1 3 . 1 1 61 61 LYS HA H 61 5.398 5.398 5.086 0.312 25837 715 1 3 . 1 1 61 61 LYS C C 61 173.879 173.879 175.255 -1.376 25837 716 1 3 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.562 0.457 25837 717 1 3 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.481 1.488 25837 718 1 3 . 1 1 61 61 LYS H H 61 8.677 8.677 8.697 -0.020 25837 719 1 3 . 1 1 62 62 ARG N N 62 124.198 124.198 127.009 -2.811 25837 720 1 3 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.711 -0.034 25837 721 1 3 . 1 1 62 62 ARG C C 62 172.626 172.626 174.339 -1.713 25837 722 1 3 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.671 0.741 25837 723 1 3 . 1 1 62 62 ARG CB C 62 32.405 32.405 32.315 0.090 25837 724 1 3 . 1 1 62 62 ARG H H 62 9.334 9.334 9.118 0.216 25837 725 1 3 . 1 1 63 63 VAL N N 63 119.879 119.879 124.397 -4.518 25837 726 1 3 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.121 0.207 25837 727 1 3 . 1 1 63 63 VAL C C 63 176.576 176.576 175.841 0.735 25837 728 1 3 . 1 1 63 63 VAL CA C 63 61.550 61.550 61.666 -0.116 25837 729 1 3 . 1 1 63 63 VAL CB C 63 32.198 32.198 32.480 -0.282 25837 730 1 3 . 1 1 63 63 VAL H H 63 8.093 8.093 8.567 -0.474 25837 731 1 3 . 1 1 64 64 GLY N N 64 113.318 113.318 114.794 -1.476 25837 732 1 3 . 1 1 64 64 GLY C C 64 174.669 174.669 173.918 0.751 25837 733 1 3 . 1 1 64 64 GLY CA C 64 44.277 44.277 45.030 -0.753 25837 734 1 3 . 1 1 64 64 GLY H H 64 9.036 9.036 8.080 0.956 25837 735 1 3 . 1 1 65 65 ASP N N 65 120.277 120.277 122.937 -2.660 25837 736 1 3 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.549 -0.337 25837 737 1 3 . 1 1 65 65 ASP C C 65 176.576 176.576 176.673 -0.097 25837 738 1 3 . 1 1 65 65 ASP CA C 65 56.508 56.508 54.938 1.571 25837 739 1 3 . 1 1 65 65 ASP CB C 65 40.080 40.080 41.033 -0.953 25837 740 1 3 . 1 1 65 65 ASP H H 65 8.676 8.676 8.630 0.046 25837 741 1 3 . 1 1 66 66 ASP N N 66 116.944 116.944 119.638 -2.694 25837 742 1 3 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.651 -0.290 25837 743 1 3 . 1 1 66 66 ASP C C 66 177.502 177.502 176.431 1.071 25837 744 1 3 . 1 1 66 66 ASP CA C 66 53.703 53.703 54.024 -0.321 25837 745 1 3 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.381 -0.716 25837 746 1 3 . 1 1 66 66 ASP H H 66 8.102 8.102 8.341 -0.239 25837 747 1 3 . 1 1 67 67 GLY N N 67 108.288 108.288 107.935 0.353 25837 748 1 3 . 1 1 67 67 GLY C C 67 177.938 177.938 173.757 4.181 25837 749 1 3 . 1 1 67 67 GLY CA C 67 45.716 45.716 45.514 0.202 25837 750 1 3 . 1 1 67 67 GLY H H 67 8.268 8.268 7.742 0.526 25837 751 1 3 . 1 1 68 68 LYS N N 68 119.172 119.172 120.092 -0.920 25837 752 1 3 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.390 0.037 25837 753 1 3 . 1 1 68 68 LYS C C 68 175.786 175.786 176.744 -0.958 25837 754 1 3 . 1 1 68 68 LYS CA C 68 57.027 57.027 55.390 1.637 25837 755 1 3 . 1 1 68 68 LYS CB C 68 35.793 35.793 32.997 2.796 25837 756 1 3 . 1 1 68 68 LYS H H 68 8.483 8.483 7.767 0.716 25837 757 1 3 . 1 1 69 69 THR N N 69 122.302 122.302 116.956 5.346 25837 758 1 3 . 1 1 69 69 THR HA H 69 4.035 4.035 4.162 -0.127 25837 759 1 3 . 1 1 69 69 THR C C 69 173.279 173.279 174.753 -1.474 25837 760 1 3 . 1 1 69 69 THR CA C 69 64.029 64.029 63.224 0.805 25837 761 1 3 . 1 1 69 69 THR CB C 69 68.428 68.428 69.220 -0.792 25837 762 1 3 . 1 1 69 69 THR H H 69 9.858 9.858 8.305 1.553 25837 763 1 3 . 1 1 70 70 ILE N N 70 128.434 128.434 127.697 0.737 25837 764 1 3 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.097 0.256 25837 765 1 3 . 1 1 70 70 ILE C C 70 174.805 174.805 174.967 -0.162 25837 766 1 3 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.870 -1.764 25837 767 1 3 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.533 -0.080 25837 768 1 3 . 1 1 70 70 ILE H H 70 8.371 8.371 8.401 -0.030 25837 769 1 3 . 1 1 71 71 GLU N N 71 125.034 125.034 126.005 -0.971 25837 770 1 3 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.660 0.376 25837 771 1 3 . 1 1 71 71 GLU C C 71 174.315 174.315 175.265 -0.950 25837 772 1 3 . 1 1 71 71 GLU CA C 71 53.513 53.513 55.093 -1.580 25837 773 1 3 . 1 1 71 71 GLU CB C 71 34.341 34.341 32.779 1.562 25837 774 1 3 . 1 1 71 71 GLU H H 71 8.709 8.709 8.435 0.274 25837 775 1 3 . 1 1 72 72 TYR N N 72 117.954 117.954 121.261 -3.307 25837 776 1 3 . 1 1 72 72 TYR HA H 72 5.219 5.219 5.070 0.149 25837 777 1 3 . 1 1 72 72 TYR C C 72 173.198 173.198 174.546 -1.348 25837 778 1 3 . 1 1 72 72 TYR CA C 72 56.537 56.537 56.785 -0.248 25837 779 1 3 . 1 1 72 72 TYR CB C 72 41.809 41.809 41.253 0.556 25837 780 1 3 . 1 1 72 72 TYR H H 72 9.301 9.301 9.239 0.062 25837 781 1 3 . 1 1 73 73 LEU N N 73 127.621 127.621 125.774 1.847 25837 782 1 3 . 1 1 73 73 LEU HA H 73 3.630 3.630 3.956 -0.326 25837 783 1 3 . 1 1 73 73 LEU C C 73 173.960 173.960 174.849 -0.889 25837 784 1 3 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.778 -0.865 25837 785 1 3 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.292 -2.346 25837 786 1 3 . 1 1 73 73 LEU H H 73 7.464 7.464 8.330 -0.866 25837 787 1 3 . 1 1 74 74 VAL N N 74 129.811 129.811 128.614 1.197 25837 788 1 3 . 1 1 74 74 VAL HA H 74 3.975 3.975 4.128 -0.153 25837 789 1 3 . 1 1 74 74 VAL C C 74 173.960 173.960 174.327 -0.367 25837 790 1 3 . 1 1 74 74 VAL CA C 74 62.013 62.013 61.525 0.488 25837 791 1 3 . 1 1 74 74 VAL CB C 74 33.650 33.650 32.645 1.005 25837 792 1 3 . 1 1 74 74 VAL H H 74 9.114 9.114 8.539 0.575 25837 793 1 3 . 1 1 75 75 LYS N N 75 124.830 124.830 127.141 -2.311 25837 794 1 3 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.508 -0.194 25837 795 1 3 . 1 1 75 75 LYS C C 75 175.105 175.105 175.131 -0.026 25837 796 1 3 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.817 -0.596 25837 797 1 3 . 1 1 75 75 LYS CB C 75 33.511 33.511 32.822 0.689 25837 798 1 3 . 1 1 75 75 LYS H H 75 8.239 8.239 8.560 -0.321 25837 799 1 3 . 1 1 76 76 TRP N N 76 129.121 129.121 128.048 1.073 25837 800 1 3 . 1 1 76 76 TRP HA H 76 4.855 4.855 5.131 -0.276 25837 801 1 3 . 1 1 76 76 TRP C C 76 177.148 177.148 178.105 -0.957 25837 802 1 3 . 1 1 76 76 TRP CA C 76 55.856 55.856 56.469 -0.613 25837 803 1 3 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.596 0.841 25837 804 1 3 . 1 1 76 76 TRP H H 76 9.097 9.097 8.865 0.232 25837 805 1 3 . 1 1 77 77 THR N N 77 117.433 117.433 119.989 -2.556 25837 806 1 3 . 1 1 77 77 THR HA H 77 4.106 4.106 4.208 -0.102 25837 807 1 3 . 1 1 77 77 THR C C 77 174.996 174.996 175.546 -0.550 25837 808 1 3 . 1 1 77 77 THR CA C 77 64.410 64.410 66.843 -2.433 25837 809 1 3 . 1 1 77 77 THR CB C 77 69.516 69.516 68.933 0.583 25837 810 1 3 . 1 1 77 77 THR H H 77 9.012 9.012 8.930 0.082 25837 811 1 3 . 1 1 78 78 ASP N N 78 119.514 119.514 118.462 1.052 25837 812 1 3 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.682 -0.253 25837 813 1 3 . 1 1 78 78 ASP C C 78 174.996 174.996 175.477 -0.481 25837 814 1 3 . 1 1 78 78 ASP CA C 78 54.957 54.957 54.550 0.407 25837 815 1 3 . 1 1 78 78 ASP CB C 78 40.082 40.082 40.924 -0.842 25837 816 1 3 . 1 1 78 78 ASP H H 78 8.805 8.805 8.751 0.054 25837 817 1 3 . 1 1 79 79 MET N N 79 115.174 115.174 118.772 -3.598 25837 818 1 3 . 1 1 79 79 MET HA H 79 4.750 4.750 4.934 -0.183 25837 819 1 3 . 1 1 79 79 MET C C 79 175.350 175.350 175.175 0.175 25837 820 1 3 . 1 1 79 79 MET CA C 79 55.038 55.038 53.383 1.655 25837 821 1 3 . 1 1 79 79 MET CB C 79 34.134 34.134 32.872 1.262 25837 822 1 3 . 1 1 79 79 MET H H 79 7.648 7.648 7.786 -0.138 25837 823 1 3 . 1 1 80 80 SER N N 80 110.575 110.575 116.800 -6.225 25837 824 1 3 . 1 1 80 80 SER HA H 80 4.291 4.291 4.160 0.131 25837 825 1 3 . 1 1 80 80 SER C C 80 174.342 174.342 175.503 -1.161 25837 826 1 3 . 1 1 80 80 SER CA C 80 60.200 60.200 61.019 -0.819 25837 827 1 3 . 1 1 80 80 SER CB C 80 63.500 63.500 62.980 0.520 25837 828 1 3 . 1 1 80 80 SER H H 80 8.065 8.065 8.643 -0.578 25837 829 1 3 . 1 1 81 81 ASP N N 81 120.165 120.165 120.361 -0.196 25837 830 1 3 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.590 0.109 25837 831 1 3 . 1 1 81 81 ASP C C 81 175.568 175.568 175.449 0.119 25837 832 1 3 . 1 1 81 81 ASP CA C 81 54.303 54.303 53.077 1.226 25837 833 1 3 . 1 1 81 81 ASP CB C 81 41.186 41.186 38.757 2.429 25837 834 1 3 . 1 1 81 81 ASP H H 81 8.101 8.101 8.304 -0.203 25837 835 1 3 . 1 1 82 82 ALA N N 82 127.921 127.921 122.730 5.191 25837 836 1 3 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.251 0.788 25837 837 1 3 . 1 1 82 82 ALA C C 82 177.584 177.584 177.189 0.395 25837 838 1 3 . 1 1 82 82 ALA CA C 82 51.905 51.905 53.350 -1.445 25837 839 1 3 . 1 1 82 82 ALA CB C 82 19.752 19.752 19.738 0.015 25837 840 1 3 . 1 1 82 82 ALA H H 82 8.461 8.461 7.851 0.610 25837 841 1 3 . 1 1 83 83 THR N N 83 111.593 111.593 115.113 -3.520 25837 842 1 3 . 1 1 83 83 THR HA H 83 4.666 4.666 4.719 -0.053 25837 843 1 3 . 1 1 83 83 THR C C 83 173.116 173.116 174.110 -0.994 25837 844 1 3 . 1 1 83 83 THR CA C 83 59.588 59.588 59.932 -0.344 25837 845 1 3 . 1 1 83 83 THR CB C 83 70.919 70.919 71.105 -0.186 25837 846 1 3 . 1 1 83 83 THR H H 83 8.613 8.613 8.110 0.503 25837 847 1 3 . 1 1 84 84 TRP N N 84 123.175 123.175 126.390 -3.215 25837 848 1 3 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.147 -0.214 25837 849 1 3 . 1 1 84 84 TRP C C 84 176.930 176.930 175.813 1.117 25837 850 1 3 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.654 -0.145 25837 851 1 3 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.533 0.037 25837 852 1 3 . 1 1 84 84 TRP H H 84 8.525 8.525 8.825 -0.300 25837 853 1 3 . 1 1 85 85 GLU N N 85 125.264 125.264 124.096 1.168 25837 854 1 3 . 1 1 85 85 GLU HA H 85 5.174 5.174 4.987 0.187 25837 855 1 3 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.186 -1.172 25837 856 1 3 . 1 1 85 85 GLU CB C 85 32.336 32.336 30.988 1.348 25837 857 1 3 . 1 1 85 85 GLU H H 85 9.790 9.790 9.161 0.629 25837 858 1 3 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.804 -0.101 25837 859 1 3 . 1 1 86 86 PRO C C 86 178.210 178.210 178.164 0.046 25837 860 1 3 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.647 0.029 25837 861 1 3 . 1 1 86 86 PRO CB C 86 32.373 32.373 33.320 -0.947 25837 862 1 3 . 1 1 87 87 GLN N N 87 118.980 118.980 121.457 -2.477 25837 863 1 3 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.011 0.069 25837 864 1 3 . 1 1 87 87 GLN C C 87 176.385 176.385 176.785 -0.400 25837 865 1 3 . 1 1 87 87 GLN CA C 87 59.642 59.642 59.308 0.334 25837 866 1 3 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.387 0.561 25837 867 1 3 . 1 1 87 87 GLN H H 87 8.525 8.525 9.040 -0.515 25837 868 1 3 . 1 1 88 88 ASP N N 88 116.080 116.080 115.367 0.713 25837 869 1 3 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.545 -0.006 25837 870 1 3 . 1 1 88 88 ASP C C 88 176.303 176.303 177.365 -1.062 25837 871 1 3 . 1 1 88 88 ASP CA C 88 55.910 55.910 56.186 -0.276 25837 872 1 3 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.588 -0.646 25837 873 1 3 . 1 1 88 88 ASP H H 88 8.632 8.632 8.469 0.163 25837 874 1 3 . 1 1 89 89 ASN N N 89 116.500 116.500 116.024 0.476 25837 875 1 3 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.824 0.184 25837 876 1 3 . 1 1 89 89 ASN C C 89 174.505 174.505 176.059 -1.554 25837 877 1 3 . 1 1 89 89 ASN CA C 89 52.368 52.368 53.916 -1.548 25837 878 1 3 . 1 1 89 89 ASN CB C 89 39.665 39.665 40.209 -0.544 25837 879 1 3 . 1 1 89 89 ASN H H 89 8.337 8.337 8.022 0.315 25837 880 1 3 . 1 1 90 90 VAL N N 90 119.615 119.615 122.349 -2.734 25837 881 1 3 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.954 0.688 25837 882 1 3 . 1 1 90 90 VAL C C 90 174.451 174.451 175.460 -1.009 25837 883 1 3 . 1 1 90 90 VAL CA C 90 61.441 61.441 62.757 -1.316 25837 884 1 3 . 1 1 90 90 VAL CB C 90 33.304 33.304 31.491 1.813 25837 885 1 3 . 1 1 90 90 VAL H H 90 7.349 7.349 8.041 -0.692 25837 886 1 3 . 1 1 91 91 ASP N N 91 128.142 128.142 125.698 2.444 25837 887 1 3 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.375 -0.018 25837 888 1 3 . 1 1 91 91 ASP C C 91 177.475 177.475 176.925 0.550 25837 889 1 3 . 1 1 91 91 ASP CA C 91 55.283 55.283 55.184 0.099 25837 890 1 3 . 1 1 91 91 ASP CB C 91 42.154 42.154 42.464 -0.310 25837 891 1 3 . 1 1 91 91 ASP H H 91 8.512 8.512 8.458 0.054 25837 892 1 3 . 1 1 92 92 SER N N 92 122.911 122.911 122.375 0.536 25837 893 1 3 . 1 1 92 92 SER HA H 92 3.903 3.903 4.277 -0.374 25837 894 1 3 . 1 1 92 92 SER C C 92 176.603 176.603 176.165 0.438 25837 895 1 3 . 1 1 92 92 SER CA C 92 61.686 61.686 61.575 0.111 25837 896 1 3 . 1 1 92 92 SER CB C 92 62.551 62.551 63.317 -0.766 25837 897 1 3 . 1 1 92 92 SER H H 92 8.854 8.854 8.807 0.047 25837 898 1 3 . 1 1 93 93 THR N N 93 118.505 118.505 120.042 -1.537 25837 899 1 3 . 1 1 93 93 THR HA H 93 3.938 3.938 4.035 -0.097 25837 900 1 3 . 1 1 93 93 THR C C 93 176.521 176.521 176.272 0.249 25837 901 1 3 . 1 1 93 93 THR CA C 93 66.072 66.072 66.047 0.025 25837 902 1 3 . 1 1 93 93 THR CB C 93 68.129 68.129 68.660 -0.531 25837 903 1 3 . 1 1 93 93 THR H H 93 8.580 8.580 7.892 0.688 25837 904 1 3 . 1 1 94 94 LEU N N 94 120.120 120.120 121.471 -1.351 25837 905 1 3 . 1 1 94 94 LEU HA H 94 4.044 4.044 4.035 0.009 25837 906 1 3 . 1 1 94 94 LEU C C 94 180.362 180.362 178.836 1.526 25837 907 1 3 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.561 -0.348 25837 908 1 3 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.365 0.322 25837 909 1 3 . 1 1 94 94 LEU H H 94 7.415 7.415 8.199 -0.784 25837 910 1 3 . 1 1 95 95 VAL N N 95 120.455 120.455 119.358 1.097 25837 911 1 3 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.462 -0.364 25837 912 1 3 . 1 1 95 95 VAL C C 95 177.338 177.338 177.534 -0.196 25837 913 1 3 . 1 1 95 95 VAL CA C 95 66.726 66.726 66.053 0.673 25837 914 1 3 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.615 -0.247 25837 915 1 3 . 1 1 95 95 VAL H H 95 7.151 7.151 8.018 -0.867 25837 916 1 3 . 1 1 96 96 LEU N N 96 120.561 120.561 119.911 0.650 25837 917 1 3 . 1 1 96 96 LEU HA H 96 4.055 4.055 4.069 -0.014 25837 918 1 3 . 1 1 96 96 LEU C C 96 179.245 179.245 177.570 1.675 25837 919 1 3 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.966 0.094 25837 920 1 3 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.827 -0.497 25837 921 1 3 . 1 1 96 96 LEU H H 96 7.900 7.900 7.947 -0.047 25837 922 1 3 . 1 1 97 97 LEU N N 97 118.021 118.021 116.038 1.983 25837 923 1 3 . 1 1 97 97 LEU HA H 97 4.045 4.045 4.219 -0.174 25837 924 1 3 . 1 1 97 97 LEU C C 97 179.409 179.409 178.284 1.125 25837 925 1 3 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.399 0.249 25837 926 1 3 . 1 1 97 97 LEU CB C 97 41.670 41.670 40.732 0.938 25837 927 1 3 . 1 1 97 97 LEU H H 97 7.610 7.610 7.469 0.141 25837 928 1 3 . 1 1 98 98 TYR N N 98 120.085 120.085 119.717 0.368 25837 929 1 3 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.171 0.120 25837 930 1 3 . 1 1 98 98 TYR C C 98 177.910 177.910 177.111 0.799 25837 931 1 3 . 1 1 98 98 TYR CA C 98 60.678 60.678 61.205 -0.527 25837 932 1 3 . 1 1 98 98 TYR CB C 98 37.798 37.798 39.246 -1.448 25837 933 1 3 . 1 1 98 98 TYR H H 98 7.486 7.486 7.314 0.172 25837 934 1 3 . 1 1 99 99 GLN N N 99 119.291 119.291 116.794 2.497 25837 935 1 3 . 1 1 99 99 GLN HA H 99 3.768 3.768 4.111 -0.343 25837 936 1 3 . 1 1 99 99 GLN C C 99 178.210 178.210 178.317 -0.107 25837 937 1 3 . 1 1 99 99 GLN CA C 99 58.090 58.090 58.233 -0.143 25837 938 1 3 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.677 -0.282 25837 939 1 3 . 1 1 99 99 GLN H H 99 8.486 8.486 8.030 0.456 25837 940 1 3 . 1 1 100 100 GLN N N 100 116.903 116.903 116.996 -0.093 25837 941 1 3 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.097 0.022 25837 942 1 3 . 1 1 100 100 GLN C C 100 176.603 176.603 177.057 -0.454 25837 943 1 3 . 1 1 100 100 GLN CA C 100 57.163 57.163 57.836 -0.673 25837 944 1 3 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.535 -0.002 25837 945 1 3 . 1 1 100 100 GLN H H 100 8.028 8.028 7.744 0.284 25837 946 1 3 . 1 1 101 101 GLN N N 101 117.138 117.138 115.892 1.246 25837 947 1 3 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.176 0.080 25837 948 1 3 . 1 1 101 101 GLN C C 101 175.786 175.786 175.908 -0.122 25837 949 1 3 . 1 1 101 101 GLN CA C 101 55.719 55.719 56.243 -0.524 25837 950 1 3 . 1 1 101 101 GLN CB C 101 28.965 28.965 28.501 0.464 25837 951 1 3 . 1 1 101 101 GLN H H 101 7.518 7.518 7.263 0.255 25837 952 1 3 . 1 1 102 102 GLN N N 102 120.384 120.384 119.337 1.047 25837 953 1 3 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.644 -0.204 25837 954 1 3 . 1 1 102 102 GLN CA C 102 53.431 53.431 52.879 0.552 25837 955 1 3 . 1 1 102 102 GLN CB C 102 27.980 27.980 29.043 -1.063 25837 956 1 3 . 1 1 102 102 GLN H H 102 7.689 7.689 7.130 0.559 25837 957 1 3 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.412 -0.020 25837 958 1 3 . 1 1 103 103 PRO C C 103 176.875 176.875 176.451 0.424 25837 959 1 3 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.201 -0.091 25837 960 1 3 . 1 1 103 103 PRO CB C 103 31.883 31.883 31.849 0.034 25837 961 1 3 . 1 1 104 104 MET N N 104 120.498 120.498 125.740 -5.242 25837 962 1 3 . 1 1 104 104 MET HA H 104 4.429 4.429 4.127 0.302 25837 963 1 3 . 1 1 104 104 MET C C 104 175.786 175.786 176.459 -0.673 25837 964 1 3 . 1 1 104 104 MET CA C 104 55.365 55.365 57.643 -2.278 25837 965 1 3 . 1 1 104 104 MET CB C 104 32.682 32.682 32.858 -0.176 25837 966 1 3 . 1 1 104 104 MET H H 104 8.461 8.461 8.614 -0.153 25837 967 1 3 . 1 1 105 105 ASN N N 105 120.052 120.052 115.070 4.982 25837 968 1 3 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.698 0.025 25837 969 1 3 . 1 1 105 105 ASN C C 105 173.933 173.933 174.398 -0.465 25837 970 1 3 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.637 -0.315 25837 971 1 3 . 1 1 105 105 ASN CB C 105 38.974 38.974 39.181 -0.207 25837 972 1 3 . 1 1 105 105 ASN H H 105 8.439 8.439 8.024 0.415 25837 973 1 4 . 1 1 50 50 LEU N N 50 121.638 121.638 120.856 0.782 25837 974 1 4 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.204 0.016 25837 975 1 4 . 1 1 50 50 LEU C C 50 177.393 177.393 178.153 -0.760 25837 976 1 4 . 1 1 50 50 LEU CA C 50 55.098 55.098 56.850 -1.752 25837 977 1 4 . 1 1 50 50 LEU CB C 50 42.293 42.293 41.425 0.868 25837 978 1 4 . 1 1 50 50 LEU H H 50 8.002 8.002 8.571 -0.569 25837 979 1 4 . 1 1 51 51 GLU N N 51 120.898 120.898 114.902 5.996 25837 980 1 4 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.068 0.036 25837 981 1 4 . 1 1 51 51 GLU C C 51 175.840 175.840 175.698 0.142 25837 982 1 4 . 1 1 51 51 GLU CA C 51 56.564 56.564 56.446 0.118 25837 983 1 4 . 1 1 51 51 GLU CB C 51 29.821 29.821 30.236 -0.415 25837 984 1 4 . 1 1 51 51 GLU H H 51 8.544 8.544 8.157 0.387 25837 985 1 4 . 1 1 52 52 TYR N N 52 118.796 118.796 118.042 0.754 25837 986 1 4 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.734 -0.282 25837 987 1 4 . 1 1 52 52 TYR C C 52 174.723 174.723 174.368 0.355 25837 988 1 4 . 1 1 52 52 TYR CA C 52 57.109 57.109 56.294 0.815 25837 989 1 4 . 1 1 52 52 TYR CB C 52 38.430 38.430 39.924 -1.494 25837 990 1 4 . 1 1 52 52 TYR H H 52 7.787 7.787 7.658 0.129 25837 991 1 4 . 1 1 53 53 ALA N N 53 125.078 125.078 122.778 2.300 25837 992 1 4 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.531 -0.189 25837 993 1 4 . 1 1 53 53 ALA C C 53 176.467 176.467 176.635 -0.168 25837 994 1 4 . 1 1 53 53 ALA CA C 53 51.932 51.932 51.571 0.361 25837 995 1 4 . 1 1 53 53 ALA CB C 53 20.153 20.153 19.888 0.265 25837 996 1 4 . 1 1 53 53 ALA H H 53 7.848 7.848 8.263 -0.415 25837 997 1 4 . 1 1 54 54 VAL N N 54 120.277 120.277 120.749 -0.472 25837 998 1 4 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.409 0.039 25837 999 1 4 . 1 1 54 54 VAL C C 54 175.867 175.867 175.288 0.579 25837 1000 1 4 . 1 1 54 54 VAL CA C 54 61.333 61.333 61.090 0.243 25837 1001 1 4 . 1 1 54 54 VAL CB C 54 33.990 33.990 35.115 -1.125 25837 1002 1 4 . 1 1 54 54 VAL H H 54 8.622 8.622 8.494 0.128 25837 1003 1 4 . 1 1 55 55 ALA N N 55 131.772 131.772 131.051 0.721 25837 1004 1 4 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.718 0.087 25837 1005 1 4 . 1 1 55 55 ALA C C 55 175.758 175.758 177.182 -1.424 25837 1006 1 4 . 1 1 55 55 ALA CA C 55 52.831 52.831 52.004 0.827 25837 1007 1 4 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.809 1.252 25837 1008 1 4 . 1 1 55 55 ALA H H 55 8.973 8.973 8.650 0.323 25837 1009 1 4 . 1 1 56 56 GLU N N 56 123.274 123.274 124.701 -1.427 25837 1010 1 4 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.198 0.045 25837 1011 1 4 . 1 1 56 56 GLU C C 56 176.058 176.058 176.343 -0.285 25837 1012 1 4 . 1 1 56 56 GLU CA C 56 57.245 57.245 57.959 -0.714 25837 1013 1 4 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.566 1.493 25837 1014 1 4 . 1 1 56 56 GLU H H 56 9.357 9.357 8.925 0.432 25837 1015 1 4 . 1 1 57 57 SER N N 57 108.822 108.822 110.382 -1.560 25837 1016 1 4 . 1 1 57 57 SER HA H 57 4.406 4.406 4.559 -0.153 25837 1017 1 4 . 1 1 57 57 SER C C 57 171.400 171.400 172.063 -0.663 25837 1018 1 4 . 1 1 57 57 SER CA C 57 57.463 57.463 57.339 0.124 25837 1019 1 4 . 1 1 57 57 SER CB C 57 64.855 64.855 66.465 -1.610 25837 1020 1 4 . 1 1 57 57 SER H H 57 7.646 7.646 7.408 0.238 25837 1021 1 4 . 1 1 58 58 VAL N N 58 121.411 121.411 121.374 0.037 25837 1022 1 4 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.261 0.180 25837 1023 1 4 . 1 1 58 58 VAL C C 58 175.731 175.731 175.284 0.447 25837 1024 1 4 . 1 1 58 58 VAL CA C 58 61.133 61.133 61.947 -0.814 25837 1025 1 4 . 1 1 58 58 VAL CB C 58 32.958 32.958 32.906 0.052 25837 1026 1 4 . 1 1 58 58 VAL H H 58 8.566 8.566 8.507 0.059 25837 1027 1 4 . 1 1 59 59 ILE N N 59 116.198 116.198 118.329 -2.131 25837 1028 1 4 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.210 0.432 25837 1029 1 4 . 1 1 59 59 ILE C C 59 175.568 175.568 174.529 1.039 25837 1030 1 4 . 1 1 59 59 ILE CA C 59 60.514 60.514 59.759 0.755 25837 1031 1 4 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.626 -0.099 25837 1032 1 4 . 1 1 59 59 ILE H H 59 8.840 8.840 8.326 0.514 25837 1033 1 4 . 1 1 60 60 GLY N N 60 110.098 110.098 108.343 1.755 25837 1034 1 4 . 1 1 60 60 GLY C C 60 170.392 170.392 171.929 -1.537 25837 1035 1 4 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.458 1.317 25837 1036 1 4 . 1 1 60 60 GLY H H 60 6.985 6.985 6.977 0.008 25837 1037 1 4 . 1 1 61 61 LYS N N 61 121.033 121.033 123.365 -2.332 25837 1038 1 4 . 1 1 61 61 LYS HA H 61 5.398 5.398 5.029 0.369 25837 1039 1 4 . 1 1 61 61 LYS C C 61 173.879 173.879 175.450 -1.571 25837 1040 1 4 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.681 0.338 25837 1041 1 4 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.922 1.047 25837 1042 1 4 . 1 1 61 61 LYS H H 61 8.677 8.677 8.665 0.012 25837 1043 1 4 . 1 1 62 62 ARG N N 62 124.198 124.198 127.517 -3.319 25837 1044 1 4 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.702 -0.025 25837 1045 1 4 . 1 1 62 62 ARG C C 62 172.626 172.626 174.032 -1.406 25837 1046 1 4 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.801 0.611 25837 1047 1 4 . 1 1 62 62 ARG CB C 62 32.405 32.405 31.722 0.683 25837 1048 1 4 . 1 1 62 62 ARG H H 62 9.334 9.334 9.229 0.105 25837 1049 1 4 . 1 1 63 63 VAL N N 63 119.879 119.879 124.026 -4.147 25837 1050 1 4 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.171 0.157 25837 1051 1 4 . 1 1 63 63 VAL C C 63 176.576 176.576 174.869 1.707 25837 1052 1 4 . 1 1 63 63 VAL CA C 63 61.550 61.550 60.443 1.107 25837 1053 1 4 . 1 1 63 63 VAL CB C 63 32.198 32.198 34.681 -2.483 25837 1054 1 4 . 1 1 63 63 VAL H H 63 8.093 8.093 8.518 -0.425 25837 1055 1 4 . 1 1 64 64 GLY N N 64 113.318 113.318 116.118 -2.800 25837 1056 1 4 . 1 1 64 64 GLY C C 64 174.669 174.669 174.377 0.292 25837 1057 1 4 . 1 1 64 64 GLY CA C 64 44.277 44.277 45.249 -0.973 25837 1058 1 4 . 1 1 64 64 GLY H H 64 9.036 9.036 8.080 0.956 25837 1059 1 4 . 1 1 65 65 ASP N N 65 120.277 120.277 123.403 -3.126 25837 1060 1 4 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.422 -0.210 25837 1061 1 4 . 1 1 65 65 ASP C C 65 176.576 176.576 176.761 -0.185 25837 1062 1 4 . 1 1 65 65 ASP CA C 65 56.508 56.508 56.011 0.497 25837 1063 1 4 . 1 1 65 65 ASP CB C 65 40.080 40.080 40.473 -0.393 25837 1064 1 4 . 1 1 65 65 ASP H H 65 8.676 8.676 8.381 0.295 25837 1065 1 4 . 1 1 66 66 ASP N N 66 116.944 116.944 119.074 -2.130 25837 1066 1 4 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.500 -0.139 25837 1067 1 4 . 1 1 66 66 ASP C C 66 177.502 177.502 177.091 0.411 25837 1068 1 4 . 1 1 66 66 ASP CA C 66 53.703 53.703 54.491 -0.788 25837 1069 1 4 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.363 -0.698 25837 1070 1 4 . 1 1 66 66 ASP H H 66 8.102 8.102 8.248 -0.146 25837 1071 1 4 . 1 1 67 67 GLY N N 67 108.288 108.288 106.615 1.673 25837 1072 1 4 . 1 1 67 67 GLY C C 67 177.938 177.938 174.216 3.722 25837 1073 1 4 . 1 1 67 67 GLY CA C 67 45.716 45.716 44.528 1.188 25837 1074 1 4 . 1 1 67 67 GLY H H 67 8.268 8.268 8.183 0.085 25837 1075 1 4 . 1 1 68 68 LYS N N 68 119.172 119.172 121.604 -2.432 25837 1076 1 4 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.249 0.178 25837 1077 1 4 . 1 1 68 68 LYS C C 68 175.786 175.786 177.525 -1.739 25837 1078 1 4 . 1 1 68 68 LYS CA C 68 57.027 57.027 56.418 0.609 25837 1079 1 4 . 1 1 68 68 LYS CB C 68 35.793 35.793 32.983 2.810 25837 1080 1 4 . 1 1 68 68 LYS H H 68 8.483 8.483 7.788 0.695 25837 1081 1 4 . 1 1 69 69 THR N N 69 122.302 122.302 119.524 2.778 25837 1082 1 4 . 1 1 69 69 THR HA H 69 4.035 4.035 4.174 -0.139 25837 1083 1 4 . 1 1 69 69 THR C C 69 173.279 173.279 174.735 -1.456 25837 1084 1 4 . 1 1 69 69 THR CA C 69 64.029 64.029 63.910 0.119 25837 1085 1 4 . 1 1 69 69 THR CB C 69 68.428 68.428 69.322 -0.894 25837 1086 1 4 . 1 1 69 69 THR H H 69 9.858 9.858 8.319 1.539 25837 1087 1 4 . 1 1 70 70 ILE N N 70 128.434 128.434 128.164 0.270 25837 1088 1 4 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.177 0.176 25837 1089 1 4 . 1 1 70 70 ILE C C 70 174.805 174.805 175.130 -0.325 25837 1090 1 4 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.763 -1.657 25837 1091 1 4 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.436 0.017 25837 1092 1 4 . 1 1 70 70 ILE H H 70 8.371 8.371 8.420 -0.049 25837 1093 1 4 . 1 1 71 71 GLU N N 71 125.034 125.034 126.513 -1.479 25837 1094 1 4 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.913 0.123 25837 1095 1 4 . 1 1 71 71 GLU C C 71 174.315 174.315 175.379 -1.064 25837 1096 1 4 . 1 1 71 71 GLU CA C 71 53.513 53.513 55.026 -1.514 25837 1097 1 4 . 1 1 71 71 GLU CB C 71 34.341 34.341 32.685 1.656 25837 1098 1 4 . 1 1 71 71 GLU H H 71 8.709 8.709 8.804 -0.095 25837 1099 1 4 . 1 1 72 72 TYR N N 72 117.954 117.954 122.139 -4.185 25837 1100 1 4 . 1 1 72 72 TYR HA H 72 5.219 5.219 5.092 0.127 25837 1101 1 4 . 1 1 72 72 TYR C C 72 173.198 173.198 174.713 -1.515 25837 1102 1 4 . 1 1 72 72 TYR CA C 72 56.537 56.537 56.955 -0.417 25837 1103 1 4 . 1 1 72 72 TYR CB C 72 41.809 41.809 41.645 0.164 25837 1104 1 4 . 1 1 72 72 TYR H H 72 9.301 9.301 9.514 -0.213 25837 1105 1 4 . 1 1 73 73 LEU N N 73 127.621 127.621 126.089 1.532 25837 1106 1 4 . 1 1 73 73 LEU HA H 73 3.630 3.630 4.106 -0.476 25837 1107 1 4 . 1 1 73 73 LEU C C 73 173.960 173.960 175.025 -1.065 25837 1108 1 4 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.817 -0.904 25837 1109 1 4 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.144 -2.198 25837 1110 1 4 . 1 1 73 73 LEU H H 73 7.464 7.464 8.420 -0.956 25837 1111 1 4 . 1 1 74 74 VAL N N 74 129.811 129.811 127.902 1.909 25837 1112 1 4 . 1 1 74 74 VAL HA H 74 3.975 3.975 3.794 0.181 25837 1113 1 4 . 1 1 74 74 VAL C C 74 173.960 173.960 174.750 -0.790 25837 1114 1 4 . 1 1 74 74 VAL CA C 74 62.013 62.013 62.047 -0.034 25837 1115 1 4 . 1 1 74 74 VAL CB C 74 33.650 33.650 32.301 1.349 25837 1116 1 4 . 1 1 74 74 VAL H H 74 9.114 9.114 8.321 0.793 25837 1117 1 4 . 1 1 75 75 LYS N N 75 124.830 124.830 128.950 -4.120 25837 1118 1 4 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.364 -0.050 25837 1119 1 4 . 1 1 75 75 LYS C C 75 175.105 175.105 175.224 -0.119 25837 1120 1 4 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.888 -0.667 25837 1121 1 4 . 1 1 75 75 LYS CB C 75 33.511 33.511 32.091 1.420 25837 1122 1 4 . 1 1 75 75 LYS H H 75 8.239 8.239 8.654 -0.415 25837 1123 1 4 . 1 1 76 76 TRP N N 76 129.121 129.121 127.944 1.177 25837 1124 1 4 . 1 1 76 76 TRP HA H 76 4.855 4.855 5.056 -0.201 25837 1125 1 4 . 1 1 76 76 TRP C C 76 177.148 177.148 177.371 -0.223 25837 1126 1 4 . 1 1 76 76 TRP CA C 76 55.856 55.856 56.715 -0.859 25837 1127 1 4 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.577 0.860 25837 1128 1 4 . 1 1 76 76 TRP H H 76 9.097 9.097 8.503 0.594 25837 1129 1 4 . 1 1 77 77 THR N N 77 117.433 117.433 117.913 -0.480 25837 1130 1 4 . 1 1 77 77 THR HA H 77 4.106 4.106 4.239 -0.133 25837 1131 1 4 . 1 1 77 77 THR C C 77 174.996 174.996 175.631 -0.635 25837 1132 1 4 . 1 1 77 77 THR CA C 77 64.410 64.410 65.399 -0.989 25837 1133 1 4 . 1 1 77 77 THR CB C 77 69.516 69.516 68.879 0.637 25837 1134 1 4 . 1 1 77 77 THR H H 77 9.012 9.012 8.900 0.112 25837 1135 1 4 . 1 1 78 78 ASP N N 78 119.514 119.514 120.061 -0.547 25837 1136 1 4 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.646 -0.217 25837 1137 1 4 . 1 1 78 78 ASP C C 78 174.996 174.996 177.116 -2.120 25837 1138 1 4 . 1 1 78 78 ASP CA C 78 54.957 54.957 56.278 -1.321 25837 1139 1 4 . 1 1 78 78 ASP CB C 78 40.082 40.082 40.970 -0.888 25837 1140 1 4 . 1 1 78 78 ASP H H 78 8.805 8.805 8.571 0.234 25837 1141 1 4 . 1 1 79 79 MET N N 79 115.174 115.174 120.015 -4.841 25837 1142 1 4 . 1 1 79 79 MET HA H 79 4.750 4.750 4.555 0.195 25837 1143 1 4 . 1 1 79 79 MET C C 79 175.350 175.350 175.672 -0.322 25837 1144 1 4 . 1 1 79 79 MET CA C 79 55.038 55.038 54.775 0.263 25837 1145 1 4 . 1 1 79 79 MET CB C 79 34.134 34.134 31.166 2.968 25837 1146 1 4 . 1 1 79 79 MET H H 79 7.648 7.648 8.465 -0.817 25837 1147 1 4 . 1 1 80 80 SER N N 80 110.575 110.575 116.710 -6.135 25837 1148 1 4 . 1 1 80 80 SER HA H 80 4.291 4.291 4.310 -0.019 25837 1149 1 4 . 1 1 80 80 SER C C 80 174.342 174.342 176.031 -1.689 25837 1150 1 4 . 1 1 80 80 SER CA C 80 60.200 60.200 61.326 -1.126 25837 1151 1 4 . 1 1 80 80 SER CB C 80 63.500 63.500 63.050 0.450 25837 1152 1 4 . 1 1 80 80 SER H H 80 8.065 8.065 7.678 0.387 25837 1153 1 4 . 1 1 81 81 ASP N N 81 120.165 120.165 122.252 -2.087 25837 1154 1 4 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.593 0.106 25837 1155 1 4 . 1 1 81 81 ASP C C 81 175.568 175.568 175.269 0.299 25837 1156 1 4 . 1 1 81 81 ASP CA C 81 54.303 54.303 53.892 0.412 25837 1157 1 4 . 1 1 81 81 ASP CB C 81 41.186 41.186 39.150 2.036 25837 1158 1 4 . 1 1 81 81 ASP H H 81 8.101 8.101 8.488 -0.387 25837 1159 1 4 . 1 1 82 82 ALA N N 82 127.921 127.921 122.104 5.817 25837 1160 1 4 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.354 0.685 25837 1161 1 4 . 1 1 82 82 ALA C C 82 177.584 177.584 177.616 -0.032 25837 1162 1 4 . 1 1 82 82 ALA CA C 82 51.905 51.905 53.200 -1.295 25837 1163 1 4 . 1 1 82 82 ALA CB C 82 19.752 19.752 19.827 -0.075 25837 1164 1 4 . 1 1 82 82 ALA H H 82 8.461 8.461 7.867 0.594 25837 1165 1 4 . 1 1 83 83 THR N N 83 111.593 111.593 114.734 -3.141 25837 1166 1 4 . 1 1 83 83 THR HA H 83 4.666 4.666 4.631 0.035 25837 1167 1 4 . 1 1 83 83 THR C C 83 173.116 173.116 174.003 -0.887 25837 1168 1 4 . 1 1 83 83 THR CA C 83 59.588 59.588 60.720 -1.132 25837 1169 1 4 . 1 1 83 83 THR CB C 83 70.919 70.919 70.940 -0.021 25837 1170 1 4 . 1 1 83 83 THR H H 83 8.613 8.613 8.322 0.291 25837 1171 1 4 . 1 1 84 84 TRP N N 84 123.175 123.175 126.845 -3.670 25837 1172 1 4 . 1 1 84 84 TRP HA H 84 4.933 4.933 4.993 -0.060 25837 1173 1 4 . 1 1 84 84 TRP C C 84 176.930 176.930 175.787 1.143 25837 1174 1 4 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.545 -0.036 25837 1175 1 4 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.315 0.255 25837 1176 1 4 . 1 1 84 84 TRP H H 84 8.525 8.525 8.806 -0.281 25837 1177 1 4 . 1 1 85 85 GLU N N 85 125.264 125.264 123.910 1.354 25837 1178 1 4 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.022 0.152 25837 1179 1 4 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.241 -1.227 25837 1180 1 4 . 1 1 85 85 GLU CB C 85 32.336 32.336 31.556 0.780 25837 1181 1 4 . 1 1 85 85 GLU H H 85 9.790 9.790 9.339 0.451 25837 1182 1 4 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.883 -0.180 25837 1183 1 4 . 1 1 86 86 PRO C C 86 178.210 178.210 178.382 -0.172 25837 1184 1 4 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.802 -0.126 25837 1185 1 4 . 1 1 86 86 PRO CB C 86 32.373 32.373 33.268 -0.895 25837 1186 1 4 . 1 1 87 87 GLN N N 87 118.980 118.980 122.852 -3.872 25837 1187 1 4 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.028 0.052 25837 1188 1 4 . 1 1 87 87 GLN C C 87 176.385 176.385 176.431 -0.046 25837 1189 1 4 . 1 1 87 87 GLN CA C 87 59.642 59.642 59.980 -0.338 25837 1190 1 4 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.419 0.529 25837 1191 1 4 . 1 1 87 87 GLN H H 87 8.525 8.525 8.559 -0.034 25837 1192 1 4 . 1 1 88 88 ASP N N 88 116.080 116.080 115.057 1.023 25837 1193 1 4 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.579 -0.040 25837 1194 1 4 . 1 1 88 88 ASP C C 88 176.303 176.303 176.766 -0.463 25837 1195 1 4 . 1 1 88 88 ASP CA C 88 55.910 55.910 55.638 0.272 25837 1196 1 4 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.645 -0.703 25837 1197 1 4 . 1 1 88 88 ASP H H 88 8.632 8.632 8.512 0.120 25837 1198 1 4 . 1 1 89 89 ASN N N 89 116.500 116.500 117.297 -0.797 25837 1199 1 4 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.739 0.269 25837 1200 1 4 . 1 1 89 89 ASN C C 89 174.505 174.505 176.048 -1.543 25837 1201 1 4 . 1 1 89 89 ASN CA C 89 52.368 52.368 54.243 -1.875 25837 1202 1 4 . 1 1 89 89 ASN CB C 89 39.665 39.665 39.955 -0.290 25837 1203 1 4 . 1 1 89 89 ASN H H 89 8.337 8.337 7.851 0.486 25837 1204 1 4 . 1 1 90 90 VAL N N 90 119.615 119.615 121.712 -2.097 25837 1205 1 4 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.903 0.739 25837 1206 1 4 . 1 1 90 90 VAL C C 90 174.451 174.451 175.643 -1.192 25837 1207 1 4 . 1 1 90 90 VAL CA C 90 61.441 61.441 63.713 -2.272 25837 1208 1 4 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.289 1.015 25837 1209 1 4 . 1 1 90 90 VAL H H 90 7.349 7.349 7.915 -0.566 25837 1210 1 4 . 1 1 91 91 ASP N N 91 128.142 128.142 124.939 3.203 25837 1211 1 4 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.545 -0.188 25837 1212 1 4 . 1 1 91 91 ASP C C 91 177.475 177.475 177.244 0.231 25837 1213 1 4 . 1 1 91 91 ASP CA C 91 55.283 55.283 54.644 0.639 25837 1214 1 4 . 1 1 91 91 ASP CB C 91 42.154 42.154 42.093 0.061 25837 1215 1 4 . 1 1 91 91 ASP H H 91 8.512 8.512 8.279 0.233 25837 1216 1 4 . 1 1 92 92 SER N N 92 122.911 122.911 122.192 0.719 25837 1217 1 4 . 1 1 92 92 SER HA H 92 3.903 3.903 4.103 -0.200 25837 1218 1 4 . 1 1 92 92 SER C C 92 176.603 176.603 176.307 0.296 25837 1219 1 4 . 1 1 92 92 SER CA C 92 61.686 61.686 61.368 0.318 25837 1220 1 4 . 1 1 92 92 SER CB C 92 62.551 62.551 62.988 -0.437 25837 1221 1 4 . 1 1 92 92 SER H H 92 8.854 8.854 8.629 0.225 25837 1222 1 4 . 1 1 93 93 THR N N 93 118.505 118.505 119.708 -1.203 25837 1223 1 4 . 1 1 93 93 THR HA H 93 3.938 3.938 4.018 -0.080 25837 1224 1 4 . 1 1 93 93 THR C C 93 176.521 176.521 176.322 0.199 25837 1225 1 4 . 1 1 93 93 THR CA C 93 66.072 66.072 65.968 0.104 25837 1226 1 4 . 1 1 93 93 THR CB C 93 68.129 68.129 68.589 -0.460 25837 1227 1 4 . 1 1 93 93 THR H H 93 8.580 8.580 7.918 0.662 25837 1228 1 4 . 1 1 94 94 LEU N N 94 120.120 120.120 121.855 -1.735 25837 1229 1 4 . 1 1 94 94 LEU HA H 94 4.044 4.044 3.953 0.091 25837 1230 1 4 . 1 1 94 94 LEU C C 94 180.362 180.362 179.142 1.220 25837 1231 1 4 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.794 -0.581 25837 1232 1 4 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.351 0.336 25837 1233 1 4 . 1 1 94 94 LEU H H 94 7.415 7.415 8.844 -1.429 25837 1234 1 4 . 1 1 95 95 VAL N N 95 120.455 120.455 119.542 0.913 25837 1235 1 4 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.503 -0.405 25837 1236 1 4 . 1 1 95 95 VAL C C 95 177.338 177.338 177.038 0.300 25837 1237 1 4 . 1 1 95 95 VAL CA C 95 66.726 66.726 65.313 1.413 25837 1238 1 4 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.291 0.077 25837 1239 1 4 . 1 1 95 95 VAL H H 95 7.151 7.151 8.168 -1.017 25837 1240 1 4 . 1 1 96 96 LEU N N 96 120.561 120.561 120.549 0.012 25837 1241 1 4 . 1 1 96 96 LEU HA H 96 4.055 4.055 3.908 0.147 25837 1242 1 4 . 1 1 96 96 LEU C C 96 179.245 179.245 178.219 1.026 25837 1243 1 4 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.912 0.148 25837 1244 1 4 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.771 -0.441 25837 1245 1 4 . 1 1 96 96 LEU H H 96 7.900 7.900 7.927 -0.027 25837 1246 1 4 . 1 1 97 97 LEU N N 97 118.021 118.021 116.379 1.642 25837 1247 1 4 . 1 1 97 97 LEU HA H 97 4.045 4.045 4.005 0.040 25837 1248 1 4 . 1 1 97 97 LEU C C 97 179.409 179.409 178.321 1.088 25837 1249 1 4 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.235 0.413 25837 1250 1 4 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.565 0.105 25837 1251 1 4 . 1 1 97 97 LEU H H 97 7.610 7.610 7.558 0.052 25837 1252 1 4 . 1 1 98 98 TYR N N 98 120.085 120.085 118.855 1.230 25837 1253 1 4 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.282 0.009 25837 1254 1 4 . 1 1 98 98 TYR C C 98 177.910 177.910 177.509 0.401 25837 1255 1 4 . 1 1 98 98 TYR CA C 98 60.678 60.678 60.270 0.408 25837 1256 1 4 . 1 1 98 98 TYR CB C 98 37.798 37.798 39.723 -1.925 25837 1257 1 4 . 1 1 98 98 TYR H H 98 7.486 7.486 7.616 -0.130 25837 1258 1 4 . 1 1 99 99 GLN N N 99 119.291 119.291 117.421 1.870 25837 1259 1 4 . 1 1 99 99 GLN HA H 99 3.768 3.768 3.813 -0.045 25837 1260 1 4 . 1 1 99 99 GLN C C 99 178.210 178.210 177.621 0.589 25837 1261 1 4 . 1 1 99 99 GLN CA C 99 58.090 58.090 58.623 -0.533 25837 1262 1 4 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.528 -0.133 25837 1263 1 4 . 1 1 99 99 GLN H H 99 8.486 8.486 8.237 0.249 25837 1264 1 4 . 1 1 100 100 GLN N N 100 116.903 116.903 114.605 2.298 25837 1265 1 4 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.172 -0.053 25837 1266 1 4 . 1 1 100 100 GLN C C 100 176.603 176.603 177.558 -0.955 25837 1267 1 4 . 1 1 100 100 GLN CA C 100 57.163 57.163 56.989 0.174 25837 1268 1 4 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.634 -0.101 25837 1269 1 4 . 1 1 100 100 GLN H H 100 8.028 8.028 7.793 0.235 25837 1270 1 4 . 1 1 101 101 GLN N N 101 117.138 117.138 115.575 1.563 25837 1271 1 4 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.348 -0.092 25837 1272 1 4 . 1 1 101 101 GLN C C 101 175.786 175.786 176.423 -0.637 25837 1273 1 4 . 1 1 101 101 GLN CA C 101 55.719 55.719 55.527 0.192 25837 1274 1 4 . 1 1 101 101 GLN CB C 101 28.965 28.965 29.375 -0.410 25837 1275 1 4 . 1 1 101 101 GLN H H 101 7.518 7.518 7.446 0.072 25837 1276 1 4 . 1 1 102 102 GLN N N 102 120.384 120.384 120.321 0.063 25837 1277 1 4 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.480 -0.040 25837 1278 1 4 . 1 1 102 102 GLN CA C 102 53.431 53.431 53.293 0.138 25837 1279 1 4 . 1 1 102 102 GLN CB C 102 27.980 27.980 28.386 -0.406 25837 1280 1 4 . 1 1 102 102 GLN H H 102 7.689 7.689 7.365 0.324 25837 1281 1 4 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.387 0.005 25837 1282 1 4 . 1 1 103 103 PRO C C 103 176.875 176.875 175.555 1.320 25837 1283 1 4 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.570 -0.460 25837 1284 1 4 . 1 1 103 103 PRO CB C 103 31.883 31.883 30.303 1.580 25837 1285 1 4 . 1 1 104 104 MET N N 104 120.498 120.498 124.508 -4.010 25837 1286 1 4 . 1 1 104 104 MET HA H 104 4.429 4.429 4.710 -0.281 25837 1287 1 4 . 1 1 104 104 MET C C 104 175.786 175.786 174.898 0.888 25837 1288 1 4 . 1 1 104 104 MET CA C 104 55.365 55.365 54.888 0.477 25837 1289 1 4 . 1 1 104 104 MET CB C 104 32.682 32.682 32.197 0.485 25837 1290 1 4 . 1 1 104 104 MET H H 104 8.461 8.461 7.827 0.634 25837 1291 1 4 . 1 1 105 105 ASN N N 105 120.052 120.052 122.566 -2.514 25837 1292 1 4 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.786 -0.063 25837 1293 1 4 . 1 1 105 105 ASN C C 105 173.933 173.933 175.032 -1.099 25837 1294 1 4 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.102 0.220 25837 1295 1 4 . 1 1 105 105 ASN CB C 105 38.974 38.974 39.179 -0.205 25837 1296 1 4 . 1 1 105 105 ASN H H 105 8.439 8.439 8.862 -0.423 25837 1297 1 5 . 1 1 50 50 LEU N N 50 121.638 121.638 121.294 0.344 25837 1298 1 5 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.616 -0.396 25837 1299 1 5 . 1 1 50 50 LEU C C 50 177.393 177.393 177.017 0.376 25837 1300 1 5 . 1 1 50 50 LEU CA C 50 55.098 55.098 55.225 -0.127 25837 1301 1 5 . 1 1 50 50 LEU CB C 50 42.293 42.293 41.155 1.138 25837 1302 1 5 . 1 1 50 50 LEU H H 50 8.002 8.002 8.839 -0.837 25837 1303 1 5 . 1 1 51 51 GLU N N 51 120.898 120.898 118.491 2.407 25837 1304 1 5 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.035 0.069 25837 1305 1 5 . 1 1 51 51 GLU C C 51 175.840 175.840 175.347 0.493 25837 1306 1 5 . 1 1 51 51 GLU CA C 51 56.564 56.564 57.010 -0.445 25837 1307 1 5 . 1 1 51 51 GLU CB C 51 29.821 29.821 28.228 1.593 25837 1308 1 5 . 1 1 51 51 GLU H H 51 8.544 8.544 8.204 0.340 25837 1309 1 5 . 1 1 52 52 TYR N N 52 118.796 118.796 115.786 3.010 25837 1310 1 5 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.041 0.411 25837 1311 1 5 . 1 1 52 52 TYR C C 52 174.723 174.723 174.768 -0.045 25837 1312 1 5 . 1 1 52 52 TYR CA C 52 57.109 57.109 59.325 -2.216 25837 1313 1 5 . 1 1 52 52 TYR CB C 52 38.430 38.430 37.810 0.620 25837 1314 1 5 . 1 1 52 52 TYR H H 52 7.787 7.787 7.845 -0.058 25837 1315 1 5 . 1 1 53 53 ALA N N 53 125.078 125.078 121.871 3.207 25837 1316 1 5 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.146 0.196 25837 1317 1 5 . 1 1 53 53 ALA C C 53 176.467 176.467 176.545 -0.078 25837 1318 1 5 . 1 1 53 53 ALA CA C 53 51.932 51.932 52.827 -0.895 25837 1319 1 5 . 1 1 53 53 ALA CB C 53 20.153 20.153 18.105 2.047 25837 1320 1 5 . 1 1 53 53 ALA H H 53 7.848 7.848 8.796 -0.948 25837 1321 1 5 . 1 1 54 54 VAL N N 54 120.277 120.277 121.156 -0.879 25837 1322 1 5 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.400 0.048 25837 1323 1 5 . 1 1 54 54 VAL C C 54 175.867 175.867 175.325 0.542 25837 1324 1 5 . 1 1 54 54 VAL CA C 54 61.333 61.333 61.239 0.094 25837 1325 1 5 . 1 1 54 54 VAL CB C 54 33.990 33.990 34.039 -0.049 25837 1326 1 5 . 1 1 54 54 VAL H H 54 8.622 8.622 7.995 0.627 25837 1327 1 5 . 1 1 55 55 ALA N N 55 131.772 131.772 130.861 0.911 25837 1328 1 5 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.565 0.240 25837 1329 1 5 . 1 1 55 55 ALA C C 55 175.758 175.758 177.080 -1.322 25837 1330 1 5 . 1 1 55 55 ALA CA C 55 52.831 52.831 52.074 0.757 25837 1331 1 5 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.977 1.084 25837 1332 1 5 . 1 1 55 55 ALA H H 55 8.973 8.973 8.647 0.326 25837 1333 1 5 . 1 1 56 56 GLU N N 56 123.274 123.274 124.342 -1.068 25837 1334 1 5 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.281 -0.038 25837 1335 1 5 . 1 1 56 56 GLU C C 56 176.058 176.058 176.286 -0.228 25837 1336 1 5 . 1 1 56 56 GLU CA C 56 57.245 57.245 57.622 -0.377 25837 1337 1 5 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.730 1.329 25837 1338 1 5 . 1 1 56 56 GLU H H 56 9.357 9.357 8.806 0.551 25837 1339 1 5 . 1 1 57 57 SER N N 57 108.822 108.822 111.072 -2.250 25837 1340 1 5 . 1 1 57 57 SER HA H 57 4.406 4.406 4.640 -0.234 25837 1341 1 5 . 1 1 57 57 SER C C 57 171.400 171.400 171.886 -0.486 25837 1342 1 5 . 1 1 57 57 SER CA C 57 57.463 57.463 57.486 -0.022 25837 1343 1 5 . 1 1 57 57 SER CB C 57 64.855 64.855 66.832 -1.976 25837 1344 1 5 . 1 1 57 57 SER H H 57 7.646 7.646 7.553 0.093 25837 1345 1 5 . 1 1 58 58 VAL N N 58 121.411 121.411 122.186 -0.775 25837 1346 1 5 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.283 0.158 25837 1347 1 5 . 1 1 58 58 VAL C C 58 175.731 175.731 175.360 0.371 25837 1348 1 5 . 1 1 58 58 VAL CA C 58 61.133 61.133 62.191 -1.058 25837 1349 1 5 . 1 1 58 58 VAL CB C 58 32.958 32.958 32.648 0.310 25837 1350 1 5 . 1 1 58 58 VAL H H 58 8.566 8.566 8.341 0.225 25837 1351 1 5 . 1 1 59 59 ILE N N 59 116.198 116.198 117.710 -1.512 25837 1352 1 5 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.418 0.224 25837 1353 1 5 . 1 1 59 59 ILE C C 59 175.568 175.568 174.282 1.286 25837 1354 1 5 . 1 1 59 59 ILE CA C 59 60.514 60.514 59.476 1.038 25837 1355 1 5 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.287 0.240 25837 1356 1 5 . 1 1 59 59 ILE H H 59 8.840 8.840 8.142 0.698 25837 1357 1 5 . 1 1 60 60 GLY N N 60 110.098 110.098 108.154 1.944 25837 1358 1 5 . 1 1 60 60 GLY C C 60 170.392 170.392 171.945 -1.553 25837 1359 1 5 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.663 1.112 25837 1360 1 5 . 1 1 60 60 GLY H H 60 6.985 6.985 7.015 -0.030 25837 1361 1 5 . 1 1 61 61 LYS N N 61 121.033 121.033 121.697 -0.664 25837 1362 1 5 . 1 1 61 61 LYS HA H 61 5.398 5.398 4.932 0.466 25837 1363 1 5 . 1 1 61 61 LYS C C 61 173.879 173.879 175.186 -1.307 25837 1364 1 5 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.846 0.173 25837 1365 1 5 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.730 1.239 25837 1366 1 5 . 1 1 61 61 LYS H H 61 8.677 8.677 8.761 -0.084 25837 1367 1 5 . 1 1 62 62 ARG N N 62 124.198 124.198 126.418 -2.220 25837 1368 1 5 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.671 0.006 25837 1369 1 5 . 1 1 62 62 ARG C C 62 172.626 172.626 174.054 -1.428 25837 1370 1 5 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.865 0.547 25837 1371 1 5 . 1 1 62 62 ARG CB C 62 32.405 32.405 32.526 -0.121 25837 1372 1 5 . 1 1 62 62 ARG H H 62 9.334 9.334 9.179 0.155 25837 1373 1 5 . 1 1 63 63 VAL N N 63 119.879 119.879 123.409 -3.530 25837 1374 1 5 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.219 0.109 25837 1375 1 5 . 1 1 63 63 VAL C C 63 176.576 176.576 174.752 1.824 25837 1376 1 5 . 1 1 63 63 VAL CA C 63 61.550 61.550 60.236 1.314 25837 1377 1 5 . 1 1 63 63 VAL CB C 63 32.198 32.198 35.193 -2.995 25837 1378 1 5 . 1 1 63 63 VAL H H 63 8.093 8.093 8.497 -0.404 25837 1379 1 5 . 1 1 64 64 GLY N N 64 113.318 113.318 116.145 -2.827 25837 1380 1 5 . 1 1 64 64 GLY C C 64 174.669 174.669 174.663 0.006 25837 1381 1 5 . 1 1 64 64 GLY CA C 64 44.277 44.277 45.061 -0.784 25837 1382 1 5 . 1 1 64 64 GLY H H 64 9.036 9.036 8.072 0.964 25837 1383 1 5 . 1 1 65 65 ASP N N 65 120.277 120.277 125.312 -5.035 25837 1384 1 5 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.416 -0.204 25837 1385 1 5 . 1 1 65 65 ASP C C 65 176.576 176.576 176.761 -0.185 25837 1386 1 5 . 1 1 65 65 ASP CA C 65 56.508 56.508 56.267 0.241 25837 1387 1 5 . 1 1 65 65 ASP CB C 65 40.080 40.080 41.011 -0.930 25837 1388 1 5 . 1 1 65 65 ASP H H 65 8.676 8.676 8.696 -0.020 25837 1389 1 5 . 1 1 66 66 ASP N N 66 116.944 116.944 118.276 -1.332 25837 1390 1 5 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.633 -0.272 25837 1391 1 5 . 1 1 66 66 ASP C C 66 177.502 177.502 176.512 0.990 25837 1392 1 5 . 1 1 66 66 ASP CA C 66 53.703 53.703 53.688 0.014 25837 1393 1 5 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.483 -0.819 25837 1394 1 5 . 1 1 66 66 ASP H H 66 8.102 8.102 8.058 0.044 25837 1395 1 5 . 1 1 67 67 GLY N N 67 108.288 108.288 107.920 0.368 25837 1396 1 5 . 1 1 67 67 GLY C C 67 177.938 177.938 174.182 3.756 25837 1397 1 5 . 1 1 67 67 GLY CA C 67 45.716 45.716 45.248 0.468 25837 1398 1 5 . 1 1 67 67 GLY H H 67 8.268 8.268 7.473 0.795 25837 1399 1 5 . 1 1 68 68 LYS N N 68 119.172 119.172 119.790 -0.618 25837 1400 1 5 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.347 0.080 25837 1401 1 5 . 1 1 68 68 LYS C C 68 175.786 175.786 176.971 -1.185 25837 1402 1 5 . 1 1 68 68 LYS CA C 68 57.027 57.027 55.646 1.381 25837 1403 1 5 . 1 1 68 68 LYS CB C 68 35.793 35.793 32.667 3.126 25837 1404 1 5 . 1 1 68 68 LYS H H 68 8.483 8.483 7.715 0.768 25837 1405 1 5 . 1 1 69 69 THR N N 69 122.302 122.302 117.539 4.763 25837 1406 1 5 . 1 1 69 69 THR HA H 69 4.035 4.035 4.179 -0.144 25837 1407 1 5 . 1 1 69 69 THR C C 69 173.279 173.279 174.486 -1.207 25837 1408 1 5 . 1 1 69 69 THR CA C 69 64.029 64.029 63.297 0.732 25837 1409 1 5 . 1 1 69 69 THR CB C 69 68.428 68.428 69.150 -0.722 25837 1410 1 5 . 1 1 69 69 THR H H 69 9.858 9.858 8.286 1.572 25837 1411 1 5 . 1 1 70 70 ILE N N 70 128.434 128.434 128.401 0.033 25837 1412 1 5 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.270 0.083 25837 1413 1 5 . 1 1 70 70 ILE C C 70 174.805 174.805 175.135 -0.330 25837 1414 1 5 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.629 -1.523 25837 1415 1 5 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.869 -0.416 25837 1416 1 5 . 1 1 70 70 ILE H H 70 8.371 8.371 8.561 -0.190 25837 1417 1 5 . 1 1 71 71 GLU N N 71 125.034 125.034 126.050 -1.016 25837 1418 1 5 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.985 0.051 25837 1419 1 5 . 1 1 71 71 GLU C C 71 174.315 174.315 175.188 -0.873 25837 1420 1 5 . 1 1 71 71 GLU CA C 71 53.513 53.513 54.703 -1.190 25837 1421 1 5 . 1 1 71 71 GLU CB C 71 34.341 34.341 33.670 0.671 25837 1422 1 5 . 1 1 71 71 GLU H H 71 8.709 8.709 8.672 0.037 25837 1423 1 5 . 1 1 72 72 TYR N N 72 117.954 117.954 120.160 -2.206 25837 1424 1 5 . 1 1 72 72 TYR HA H 72 5.219 5.219 5.056 0.163 25837 1425 1 5 . 1 1 72 72 TYR C C 72 173.198 173.198 174.679 -1.481 25837 1426 1 5 . 1 1 72 72 TYR CA C 72 56.537 56.537 56.897 -0.360 25837 1427 1 5 . 1 1 72 72 TYR CB C 72 41.809 41.809 42.194 -0.385 25837 1428 1 5 . 1 1 72 72 TYR H H 72 9.301 9.301 9.531 -0.230 25837 1429 1 5 . 1 1 73 73 LEU N N 73 127.621 127.621 124.862 2.759 25837 1430 1 5 . 1 1 73 73 LEU HA H 73 3.630 3.630 4.000 -0.370 25837 1431 1 5 . 1 1 73 73 LEU C C 73 173.960 173.960 175.130 -1.170 25837 1432 1 5 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.944 -1.031 25837 1433 1 5 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.251 -2.305 25837 1434 1 5 . 1 1 73 73 LEU H H 73 7.464 7.464 8.126 -0.662 25837 1435 1 5 . 1 1 74 74 VAL N N 74 129.811 129.811 127.354 2.457 25837 1436 1 5 . 1 1 74 74 VAL HA H 74 3.975 3.975 3.902 0.073 25837 1437 1 5 . 1 1 74 74 VAL C C 74 173.960 173.960 174.958 -0.998 25837 1438 1 5 . 1 1 74 74 VAL CA C 74 62.013 62.013 61.768 0.245 25837 1439 1 5 . 1 1 74 74 VAL CB C 74 33.650 33.650 32.423 1.227 25837 1440 1 5 . 1 1 74 74 VAL H H 74 9.114 9.114 8.219 0.895 25837 1441 1 5 . 1 1 75 75 LYS N N 75 124.830 124.830 128.734 -3.904 25837 1442 1 5 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.434 -0.120 25837 1443 1 5 . 1 1 75 75 LYS C C 75 175.105 175.105 175.537 -0.432 25837 1444 1 5 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.554 -0.333 25837 1445 1 5 . 1 1 75 75 LYS CB C 75 33.511 33.511 31.900 1.611 25837 1446 1 5 . 1 1 75 75 LYS H H 75 8.239 8.239 8.680 -0.441 25837 1447 1 5 . 1 1 76 76 TRP N N 76 129.121 129.121 126.440 2.681 25837 1448 1 5 . 1 1 76 76 TRP HA H 76 4.855 4.855 4.946 -0.091 25837 1449 1 5 . 1 1 76 76 TRP C C 76 177.148 177.148 177.497 -0.349 25837 1450 1 5 . 1 1 76 76 TRP CA C 76 55.856 55.856 57.136 -1.280 25837 1451 1 5 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.540 0.897 25837 1452 1 5 . 1 1 76 76 TRP H H 76 9.097 9.097 8.383 0.714 25837 1453 1 5 . 1 1 77 77 THR N N 77 117.433 117.433 116.126 1.307 25837 1454 1 5 . 1 1 77 77 THR HA H 77 4.106 4.106 4.303 -0.197 25837 1455 1 5 . 1 1 77 77 THR C C 77 174.996 174.996 176.417 -1.421 25837 1456 1 5 . 1 1 77 77 THR CA C 77 64.410 64.410 64.911 -0.501 25837 1457 1 5 . 1 1 77 77 THR CB C 77 69.516 69.516 69.229 0.287 25837 1458 1 5 . 1 1 77 77 THR H H 77 9.012 9.012 8.903 0.109 25837 1459 1 5 . 1 1 78 78 ASP N N 78 119.514 119.514 121.069 -1.555 25837 1460 1 5 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.623 -0.194 25837 1461 1 5 . 1 1 78 78 ASP C C 78 174.996 174.996 176.910 -1.914 25837 1462 1 5 . 1 1 78 78 ASP CA C 78 54.957 54.957 56.992 -2.035 25837 1463 1 5 . 1 1 78 78 ASP CB C 78 40.082 40.082 40.809 -0.727 25837 1464 1 5 . 1 1 78 78 ASP H H 78 8.805 8.805 8.824 -0.019 25837 1465 1 5 . 1 1 79 79 MET N N 79 115.174 115.174 118.827 -3.653 25837 1466 1 5 . 1 1 79 79 MET HA H 79 4.750 4.750 4.775 -0.025 25837 1467 1 5 . 1 1 79 79 MET C C 79 175.350 175.350 176.434 -1.084 25837 1468 1 5 . 1 1 79 79 MET CA C 79 55.038 55.038 54.711 0.327 25837 1469 1 5 . 1 1 79 79 MET CB C 79 34.134 34.134 31.398 2.736 25837 1470 1 5 . 1 1 79 79 MET H H 79 7.648 7.648 8.268 -0.620 25837 1471 1 5 . 1 1 80 80 SER N N 80 110.575 110.575 115.243 -4.668 25837 1472 1 5 . 1 1 80 80 SER HA H 80 4.291 4.291 4.373 -0.082 25837 1473 1 5 . 1 1 80 80 SER C C 80 174.342 174.342 176.222 -1.880 25837 1474 1 5 . 1 1 80 80 SER CA C 80 60.200 60.200 60.456 -0.256 25837 1475 1 5 . 1 1 80 80 SER CB C 80 63.500 63.500 63.136 0.364 25837 1476 1 5 . 1 1 80 80 SER H H 80 8.065 8.065 7.526 0.539 25837 1477 1 5 . 1 1 81 81 ASP N N 81 120.165 120.165 120.688 -0.523 25837 1478 1 5 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.594 0.105 25837 1479 1 5 . 1 1 81 81 ASP C C 81 175.568 175.568 175.477 0.091 25837 1480 1 5 . 1 1 81 81 ASP CA C 81 54.303 54.303 53.119 1.184 25837 1481 1 5 . 1 1 81 81 ASP CB C 81 41.186 41.186 38.968 2.218 25837 1482 1 5 . 1 1 81 81 ASP H H 81 8.101 8.101 8.452 -0.351 25837 1483 1 5 . 1 1 82 82 ALA N N 82 127.921 127.921 122.824 5.097 25837 1484 1 5 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.263 0.776 25837 1485 1 5 . 1 1 82 82 ALA C C 82 177.584 177.584 177.030 0.554 25837 1486 1 5 . 1 1 82 82 ALA CA C 82 51.905 51.905 53.577 -1.672 25837 1487 1 5 . 1 1 82 82 ALA CB C 82 19.752 19.752 19.785 -0.033 25837 1488 1 5 . 1 1 82 82 ALA H H 82 8.461 8.461 7.952 0.509 25837 1489 1 5 . 1 1 83 83 THR N N 83 111.593 111.593 115.371 -3.778 25837 1490 1 5 . 1 1 83 83 THR HA H 83 4.666 4.666 4.617 0.049 25837 1491 1 5 . 1 1 83 83 THR C C 83 173.116 173.116 173.350 -0.234 25837 1492 1 5 . 1 1 83 83 THR CA C 83 59.588 59.588 60.546 -0.958 25837 1493 1 5 . 1 1 83 83 THR CB C 83 70.919 70.919 71.390 -0.471 25837 1494 1 5 . 1 1 83 83 THR H H 83 8.613 8.613 8.250 0.363 25837 1495 1 5 . 1 1 84 84 TRP N N 84 123.175 123.175 125.035 -1.860 25837 1496 1 5 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.063 -0.130 25837 1497 1 5 . 1 1 84 84 TRP C C 84 176.930 176.930 176.274 0.656 25837 1498 1 5 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.455 0.054 25837 1499 1 5 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.540 0.030 25837 1500 1 5 . 1 1 84 84 TRP H H 84 8.525 8.525 8.854 -0.329 25837 1501 1 5 . 1 1 85 85 GLU N N 85 125.264 125.264 123.963 1.301 25837 1502 1 5 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.015 0.159 25837 1503 1 5 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.410 -1.396 25837 1504 1 5 . 1 1 85 85 GLU CB C 85 32.336 32.336 31.671 0.665 25837 1505 1 5 . 1 1 85 85 GLU H H 85 9.790 9.790 9.328 0.462 25837 1506 1 5 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.833 -0.130 25837 1507 1 5 . 1 1 86 86 PRO C C 86 178.210 178.210 178.220 -0.010 25837 1508 1 5 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.829 -0.153 25837 1509 1 5 . 1 1 86 86 PRO CB C 86 32.373 32.373 33.191 -0.818 25837 1510 1 5 . 1 1 87 87 GLN N N 87 118.980 118.980 122.541 -3.561 25837 1511 1 5 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.061 0.019 25837 1512 1 5 . 1 1 87 87 GLN C C 87 176.385 176.385 177.163 -0.778 25837 1513 1 5 . 1 1 87 87 GLN CA C 87 59.642 59.642 59.444 0.198 25837 1514 1 5 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.197 0.751 25837 1515 1 5 . 1 1 87 87 GLN H H 87 8.525 8.525 8.666 -0.141 25837 1516 1 5 . 1 1 88 88 ASP N N 88 116.080 116.080 118.126 -2.046 25837 1517 1 5 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.443 0.096 25837 1518 1 5 . 1 1 88 88 ASP C C 88 176.303 176.303 176.963 -0.660 25837 1519 1 5 . 1 1 88 88 ASP CA C 88 55.910 55.910 56.168 -0.258 25837 1520 1 5 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.608 -0.665 25837 1521 1 5 . 1 1 88 88 ASP H H 88 8.632 8.632 8.545 0.087 25837 1522 1 5 . 1 1 89 89 ASN N N 89 116.500 116.500 116.627 -0.127 25837 1523 1 5 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.762 0.246 25837 1524 1 5 . 1 1 89 89 ASN C C 89 174.505 174.505 176.169 -1.664 25837 1525 1 5 . 1 1 89 89 ASN CA C 89 52.368 52.368 53.956 -1.588 25837 1526 1 5 . 1 1 89 89 ASN CB C 89 39.665 39.665 40.322 -0.657 25837 1527 1 5 . 1 1 89 89 ASN H H 89 8.337 8.337 7.968 0.369 25837 1528 1 5 . 1 1 90 90 VAL N N 90 119.615 119.615 121.364 -1.749 25837 1529 1 5 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.894 0.748 25837 1530 1 5 . 1 1 90 90 VAL C C 90 174.451 174.451 175.442 -0.991 25837 1531 1 5 . 1 1 90 90 VAL CA C 90 61.441 61.441 63.539 -2.099 25837 1532 1 5 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.218 1.086 25837 1533 1 5 . 1 1 90 90 VAL H H 90 7.349 7.349 7.828 -0.479 25837 1534 1 5 . 1 1 91 91 ASP N N 91 128.142 128.142 126.751 1.391 25837 1535 1 5 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.500 -0.143 25837 1536 1 5 . 1 1 91 91 ASP C C 91 177.475 177.475 177.055 0.420 25837 1537 1 5 . 1 1 91 91 ASP CA C 91 55.283 55.283 54.667 0.616 25837 1538 1 5 . 1 1 91 91 ASP CB C 91 42.154 42.154 42.169 -0.015 25837 1539 1 5 . 1 1 91 91 ASP H H 91 8.512 8.512 8.309 0.203 25837 1540 1 5 . 1 1 92 92 SER N N 92 122.911 122.911 121.500 1.411 25837 1541 1 5 . 1 1 92 92 SER HA H 92 3.903 3.903 4.255 -0.352 25837 1542 1 5 . 1 1 92 92 SER C C 92 176.603 176.603 176.398 0.205 25837 1543 1 5 . 1 1 92 92 SER CA C 92 61.686 61.686 61.117 0.569 25837 1544 1 5 . 1 1 92 92 SER CB C 92 62.551 62.551 63.340 -0.789 25837 1545 1 5 . 1 1 92 92 SER H H 92 8.854 8.854 8.636 0.218 25837 1546 1 5 . 1 1 93 93 THR N N 93 118.505 118.505 120.431 -1.926 25837 1547 1 5 . 1 1 93 93 THR HA H 93 3.938 3.938 4.056 -0.118 25837 1548 1 5 . 1 1 93 93 THR C C 93 176.521 176.521 176.210 0.311 25837 1549 1 5 . 1 1 93 93 THR CA C 93 66.072 66.072 66.322 -0.250 25837 1550 1 5 . 1 1 93 93 THR CB C 93 68.129 68.129 68.580 -0.451 25837 1551 1 5 . 1 1 93 93 THR H H 93 8.580 8.580 7.866 0.714 25837 1552 1 5 . 1 1 94 94 LEU N N 94 120.120 120.120 121.124 -1.004 25837 1553 1 5 . 1 1 94 94 LEU HA H 94 4.044 4.044 4.047 -0.003 25837 1554 1 5 . 1 1 94 94 LEU C C 94 180.362 180.362 178.892 1.470 25837 1555 1 5 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.400 -0.187 25837 1556 1 5 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.374 0.313 25837 1557 1 5 . 1 1 94 94 LEU H H 94 7.415 7.415 8.824 -1.409 25837 1558 1 5 . 1 1 95 95 VAL N N 95 120.455 120.455 120.153 0.302 25837 1559 1 5 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.548 -0.450 25837 1560 1 5 . 1 1 95 95 VAL C C 95 177.338 177.338 176.989 0.349 25837 1561 1 5 . 1 1 95 95 VAL CA C 95 66.726 66.726 65.095 1.631 25837 1562 1 5 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.366 0.002 25837 1563 1 5 . 1 1 95 95 VAL H H 95 7.151 7.151 8.195 -1.044 25837 1564 1 5 . 1 1 96 96 LEU N N 96 120.561 120.561 120.719 -0.158 25837 1565 1 5 . 1 1 96 96 LEU HA H 96 4.055 4.055 4.033 0.022 25837 1566 1 5 . 1 1 96 96 LEU C C 96 179.245 179.245 177.860 1.385 25837 1567 1 5 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.808 0.252 25837 1568 1 5 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.588 -0.258 25837 1569 1 5 . 1 1 96 96 LEU H H 96 7.900 7.900 7.950 -0.050 25837 1570 1 5 . 1 1 97 97 LEU N N 97 118.021 118.021 116.843 1.178 25837 1571 1 5 . 1 1 97 97 LEU HA H 97 4.045 4.045 3.974 0.071 25837 1572 1 5 . 1 1 97 97 LEU C C 97 179.409 179.409 178.356 1.053 25837 1573 1 5 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.301 0.347 25837 1574 1 5 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.465 0.205 25837 1575 1 5 . 1 1 97 97 LEU H H 97 7.610 7.610 7.516 0.094 25837 1576 1 5 . 1 1 98 98 TYR N N 98 120.085 120.085 118.960 1.125 25837 1577 1 5 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.544 -0.253 25837 1578 1 5 . 1 1 98 98 TYR C C 98 177.910 177.910 177.459 0.451 25837 1579 1 5 . 1 1 98 98 TYR CA C 98 60.678 60.678 60.087 0.591 25837 1580 1 5 . 1 1 98 98 TYR CB C 98 37.798 37.798 39.923 -2.125 25837 1581 1 5 . 1 1 98 98 TYR H H 98 7.486 7.486 7.596 -0.110 25837 1582 1 5 . 1 1 99 99 GLN N N 99 119.291 119.291 117.453 1.838 25837 1583 1 5 . 1 1 99 99 GLN HA H 99 3.768 3.768 4.028 -0.260 25837 1584 1 5 . 1 1 99 99 GLN C C 99 178.210 178.210 177.990 0.220 25837 1585 1 5 . 1 1 99 99 GLN CA C 99 58.090 58.090 57.879 0.211 25837 1586 1 5 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.390 0.005 25837 1587 1 5 . 1 1 99 99 GLN H H 99 8.486 8.486 8.144 0.342 25837 1588 1 5 . 1 1 100 100 GLN N N 100 116.903 116.903 116.505 0.398 25837 1589 1 5 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.153 -0.034 25837 1590 1 5 . 1 1 100 100 GLN C C 100 176.603 176.603 177.216 -0.613 25837 1591 1 5 . 1 1 100 100 GLN CA C 100 57.163 57.163 57.191 -0.028 25837 1592 1 5 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.533 0.000 25837 1593 1 5 . 1 1 100 100 GLN H H 100 8.028 8.028 7.933 0.095 25837 1594 1 5 . 1 1 101 101 GLN N N 101 117.138 117.138 116.434 0.704 25837 1595 1 5 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.155 0.101 25837 1596 1 5 . 1 1 101 101 GLN C C 101 175.786 175.786 176.574 -0.788 25837 1597 1 5 . 1 1 101 101 GLN CA C 101 55.719 55.719 56.452 -0.733 25837 1598 1 5 . 1 1 101 101 GLN CB C 101 28.965 28.965 29.036 -0.071 25837 1599 1 5 . 1 1 101 101 GLN H H 101 7.518 7.518 7.311 0.207 25837 1600 1 5 . 1 1 102 102 GLN N N 102 120.384 120.384 119.410 0.974 25837 1601 1 5 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.448 -0.008 25837 1602 1 5 . 1 1 102 102 GLN CA C 102 53.431 53.431 53.250 0.181 25837 1603 1 5 . 1 1 102 102 GLN CB C 102 27.980 27.980 27.823 0.157 25837 1604 1 5 . 1 1 102 102 GLN H H 102 7.689 7.689 7.426 0.263 25837 1605 1 5 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.400 -0.008 25837 1606 1 5 . 1 1 103 103 PRO C C 103 176.875 176.875 176.005 0.870 25837 1607 1 5 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.306 -0.196 25837 1608 1 5 . 1 1 103 103 PRO CB C 103 31.883 31.883 31.839 0.044 25837 1609 1 5 . 1 1 104 104 MET N N 104 120.498 120.498 123.995 -3.497 25837 1610 1 5 . 1 1 104 104 MET HA H 104 4.429 4.429 4.456 -0.027 25837 1611 1 5 . 1 1 104 104 MET C C 104 175.786 175.786 176.001 -0.215 25837 1612 1 5 . 1 1 104 104 MET CA C 104 55.365 55.365 54.842 0.523 25837 1613 1 5 . 1 1 104 104 MET CB C 104 32.682 32.682 33.156 -0.473 25837 1614 1 5 . 1 1 104 104 MET H H 104 8.461 8.461 8.484 -0.023 25837 1615 1 5 . 1 1 105 105 ASN N N 105 120.052 120.052 119.697 0.355 25837 1616 1 5 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.794 -0.071 25837 1617 1 5 . 1 1 105 105 ASN C C 105 173.933 173.933 174.530 -0.597 25837 1618 1 5 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.083 0.239 25837 1619 1 5 . 1 1 105 105 ASN CB C 105 38.974 38.974 39.229 -0.255 25837 1620 1 5 . 1 1 105 105 ASN H H 105 8.439 8.439 8.152 0.287 25837 1621 1 6 . 1 1 50 50 LEU N N 50 121.638 121.638 120.316 1.322 25837 1622 1 6 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.082 0.138 25837 1623 1 6 . 1 1 50 50 LEU C C 50 177.393 177.393 176.167 1.226 25837 1624 1 6 . 1 1 50 50 LEU CA C 50 55.098 55.098 55.329 -0.231 25837 1625 1 6 . 1 1 50 50 LEU CB C 50 42.293 42.293 40.487 1.806 25837 1626 1 6 . 1 1 50 50 LEU H H 50 8.002 8.002 8.170 -0.168 25837 1627 1 6 . 1 1 51 51 GLU N N 51 120.898 120.898 115.255 5.643 25837 1628 1 6 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.165 -0.061 25837 1629 1 6 . 1 1 51 51 GLU C C 51 175.840 175.840 175.593 0.247 25837 1630 1 6 . 1 1 51 51 GLU CA C 51 56.564 56.564 56.652 -0.088 25837 1631 1 6 . 1 1 51 51 GLU CB C 51 29.821 29.821 29.922 -0.101 25837 1632 1 6 . 1 1 51 51 GLU H H 51 8.544 8.544 8.376 0.168 25837 1633 1 6 . 1 1 52 52 TYR N N 52 118.796 118.796 118.779 0.017 25837 1634 1 6 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.668 -0.216 25837 1635 1 6 . 1 1 52 52 TYR C C 52 174.723 174.723 174.913 -0.190 25837 1636 1 6 . 1 1 52 52 TYR CA C 52 57.109 57.109 56.175 0.934 25837 1637 1 6 . 1 1 52 52 TYR CB C 52 38.430 38.430 40.095 -1.665 25837 1638 1 6 . 1 1 52 52 TYR H H 52 7.787 7.787 7.497 0.290 25837 1639 1 6 . 1 1 53 53 ALA N N 53 125.078 125.078 123.722 1.356 25837 1640 1 6 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.366 -0.024 25837 1641 1 6 . 1 1 53 53 ALA C C 53 176.467 176.467 176.380 0.087 25837 1642 1 6 . 1 1 53 53 ALA CA C 53 51.932 51.932 52.784 -0.852 25837 1643 1 6 . 1 1 53 53 ALA CB C 53 20.153 20.153 18.241 1.912 25837 1644 1 6 . 1 1 53 53 ALA H H 53 7.848 7.848 8.456 -0.608 25837 1645 1 6 . 1 1 54 54 VAL N N 54 120.277 120.277 124.207 -3.930 25837 1646 1 6 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.449 -0.001 25837 1647 1 6 . 1 1 54 54 VAL C C 54 175.867 175.867 175.244 0.623 25837 1648 1 6 . 1 1 54 54 VAL CA C 54 61.333 61.333 60.986 0.347 25837 1649 1 6 . 1 1 54 54 VAL CB C 54 33.990 33.990 34.564 -0.574 25837 1650 1 6 . 1 1 54 54 VAL H H 54 8.622 8.622 8.136 0.486 25837 1651 1 6 . 1 1 55 55 ALA N N 55 131.772 131.772 131.072 0.700 25837 1652 1 6 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.628 0.177 25837 1653 1 6 . 1 1 55 55 ALA C C 55 175.758 175.758 177.109 -1.351 25837 1654 1 6 . 1 1 55 55 ALA CA C 55 52.831 52.831 52.266 0.565 25837 1655 1 6 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.965 1.096 25837 1656 1 6 . 1 1 55 55 ALA H H 55 8.973 8.973 8.670 0.303 25837 1657 1 6 . 1 1 56 56 GLU N N 56 123.274 123.274 126.304 -3.030 25837 1658 1 6 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.149 0.094 25837 1659 1 6 . 1 1 56 56 GLU C C 56 176.058 176.058 176.551 -0.493 25837 1660 1 6 . 1 1 56 56 GLU CA C 56 57.245 57.245 57.995 -0.750 25837 1661 1 6 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.620 1.439 25837 1662 1 6 . 1 1 56 56 GLU H H 56 9.357 9.357 8.861 0.496 25837 1663 1 6 . 1 1 57 57 SER N N 57 108.822 108.822 110.340 -1.518 25837 1664 1 6 . 1 1 57 57 SER HA H 57 4.406 4.406 4.554 -0.148 25837 1665 1 6 . 1 1 57 57 SER C C 57 171.400 171.400 172.123 -0.723 25837 1666 1 6 . 1 1 57 57 SER CA C 57 57.463 57.463 57.567 -0.104 25837 1667 1 6 . 1 1 57 57 SER CB C 57 64.855 64.855 66.864 -2.009 25837 1668 1 6 . 1 1 57 57 SER H H 57 7.646 7.646 7.455 0.191 25837 1669 1 6 . 1 1 58 58 VAL N N 58 121.411 121.411 121.380 0.031 25837 1670 1 6 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.410 0.031 25837 1671 1 6 . 1 1 58 58 VAL C C 58 175.731 175.731 175.504 0.227 25837 1672 1 6 . 1 1 58 58 VAL CA C 58 61.133 61.133 61.746 -0.613 25837 1673 1 6 . 1 1 58 58 VAL CB C 58 32.958 32.958 32.620 0.338 25837 1674 1 6 . 1 1 58 58 VAL H H 58 8.566 8.566 8.615 -0.049 25837 1675 1 6 . 1 1 59 59 ILE N N 59 116.198 116.198 119.752 -3.554 25837 1676 1 6 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.821 -0.178 25837 1677 1 6 . 1 1 59 59 ILE C C 59 175.568 175.568 175.352 0.216 25837 1678 1 6 . 1 1 59 59 ILE CA C 59 60.514 60.514 60.340 0.174 25837 1679 1 6 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.999 -0.472 25837 1680 1 6 . 1 1 59 59 ILE H H 59 8.840 8.840 8.541 0.299 25837 1681 1 6 . 1 1 60 60 GLY N N 60 110.098 110.098 108.954 1.144 25837 1682 1 6 . 1 1 60 60 GLY C C 60 170.392 170.392 172.252 -1.860 25837 1683 1 6 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.020 1.755 25837 1684 1 6 . 1 1 60 60 GLY H H 60 6.985 6.985 7.482 -0.497 25837 1685 1 6 . 1 1 61 61 LYS N N 61 121.033 121.033 122.247 -1.214 25837 1686 1 6 . 1 1 61 61 LYS HA H 61 5.398 5.398 4.620 0.778 25837 1687 1 6 . 1 1 61 61 LYS C C 61 173.879 173.879 175.121 -1.242 25837 1688 1 6 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.826 0.193 25837 1689 1 6 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.395 1.574 25837 1690 1 6 . 1 1 61 61 LYS H H 61 8.677 8.677 8.751 -0.074 25837 1691 1 6 . 1 1 62 62 ARG N N 62 124.198 124.198 127.086 -2.888 25837 1692 1 6 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.637 0.040 25837 1693 1 6 . 1 1 62 62 ARG C C 62 172.626 172.626 173.908 -1.282 25837 1694 1 6 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.932 0.480 25837 1695 1 6 . 1 1 62 62 ARG CB C 62 32.405 32.405 31.878 0.527 25837 1696 1 6 . 1 1 62 62 ARG H H 62 9.334 9.334 9.046 0.288 25837 1697 1 6 . 1 1 63 63 VAL N N 63 119.879 119.879 123.583 -3.704 25837 1698 1 6 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.159 0.169 25837 1699 1 6 . 1 1 63 63 VAL C C 63 176.576 176.576 174.784 1.792 25837 1700 1 6 . 1 1 63 63 VAL CA C 63 61.550 61.550 60.455 1.095 25837 1701 1 6 . 1 1 63 63 VAL CB C 63 32.198 32.198 34.709 -2.511 25837 1702 1 6 . 1 1 63 63 VAL H H 63 8.093 8.093 8.444 -0.351 25837 1703 1 6 . 1 1 64 64 GLY N N 64 113.318 113.318 115.875 -2.557 25837 1704 1 6 . 1 1 64 64 GLY C C 64 174.669 174.669 174.282 0.387 25837 1705 1 6 . 1 1 64 64 GLY CA C 64 44.277 44.277 44.585 -0.308 25837 1706 1 6 . 1 1 64 64 GLY H H 64 9.036 9.036 8.056 0.980 25837 1707 1 6 . 1 1 65 65 ASP N N 65 120.277 120.277 124.118 -3.841 25837 1708 1 6 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.516 -0.304 25837 1709 1 6 . 1 1 65 65 ASP C C 65 176.576 176.576 176.883 -0.307 25837 1710 1 6 . 1 1 65 65 ASP CA C 65 56.508 56.508 55.794 0.714 25837 1711 1 6 . 1 1 65 65 ASP CB C 65 40.080 40.080 41.092 -1.012 25837 1712 1 6 . 1 1 65 65 ASP H H 65 8.676 8.676 8.711 -0.035 25837 1713 1 6 . 1 1 66 66 ASP N N 66 116.944 116.944 117.390 -0.446 25837 1714 1 6 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.573 -0.212 25837 1715 1 6 . 1 1 66 66 ASP C C 66 177.502 177.502 176.548 0.954 25837 1716 1 6 . 1 1 66 66 ASP CA C 66 53.703 53.703 53.563 0.140 25837 1717 1 6 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.009 -0.344 25837 1718 1 6 . 1 1 66 66 ASP H H 66 8.102 8.102 8.285 -0.183 25837 1719 1 6 . 1 1 67 67 GLY N N 67 108.288 108.288 109.161 -0.873 25837 1720 1 6 . 1 1 67 67 GLY C C 67 177.938 177.938 173.671 4.267 25837 1721 1 6 . 1 1 67 67 GLY CA C 67 45.716 45.716 44.771 0.945 25837 1722 1 6 . 1 1 67 67 GLY H H 67 8.268 8.268 7.732 0.536 25837 1723 1 6 . 1 1 68 68 LYS N N 68 119.172 119.172 120.870 -1.698 25837 1724 1 6 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.221 0.206 25837 1725 1 6 . 1 1 68 68 LYS C C 68 175.786 175.786 176.334 -0.548 25837 1726 1 6 . 1 1 68 68 LYS CA C 68 57.027 57.027 56.565 0.462 25837 1727 1 6 . 1 1 68 68 LYS CB C 68 35.793 35.793 32.893 2.900 25837 1728 1 6 . 1 1 68 68 LYS H H 68 8.483 8.483 7.661 0.822 25837 1729 1 6 . 1 1 69 69 THR N N 69 122.302 122.302 119.013 3.289 25837 1730 1 6 . 1 1 69 69 THR HA H 69 4.035 4.035 4.245 -0.210 25837 1731 1 6 . 1 1 69 69 THR C C 69 173.279 173.279 174.544 -1.265 25837 1732 1 6 . 1 1 69 69 THR CA C 69 64.029 64.029 63.673 0.356 25837 1733 1 6 . 1 1 69 69 THR CB C 69 68.428 68.428 69.457 -1.029 25837 1734 1 6 . 1 1 69 69 THR H H 69 9.858 9.858 8.280 1.578 25837 1735 1 6 . 1 1 70 70 ILE N N 70 128.434 128.434 127.341 1.093 25837 1736 1 6 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.239 0.114 25837 1737 1 6 . 1 1 70 70 ILE C C 70 174.805 174.805 175.289 -0.484 25837 1738 1 6 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.547 -1.441 25837 1739 1 6 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.258 0.195 25837 1740 1 6 . 1 1 70 70 ILE H H 70 8.371 8.371 8.477 -0.106 25837 1741 1 6 . 1 1 71 71 GLU N N 71 125.034 125.034 126.544 -1.510 25837 1742 1 6 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.857 0.179 25837 1743 1 6 . 1 1 71 71 GLU C C 71 174.315 174.315 175.268 -0.953 25837 1744 1 6 . 1 1 71 71 GLU CA C 71 53.513 53.513 55.127 -1.614 25837 1745 1 6 . 1 1 71 71 GLU CB C 71 34.341 34.341 32.545 1.796 25837 1746 1 6 . 1 1 71 71 GLU H H 71 8.709 8.709 8.460 0.249 25837 1747 1 6 . 1 1 72 72 TYR N N 72 117.954 117.954 121.755 -3.801 25837 1748 1 6 . 1 1 72 72 TYR HA H 72 5.219 5.219 4.937 0.282 25837 1749 1 6 . 1 1 72 72 TYR C C 72 173.198 173.198 174.658 -1.460 25837 1750 1 6 . 1 1 72 72 TYR CA C 72 56.537 56.537 57.152 -0.615 25837 1751 1 6 . 1 1 72 72 TYR CB C 72 41.809 41.809 41.693 0.116 25837 1752 1 6 . 1 1 72 72 TYR H H 72 9.301 9.301 9.479 -0.178 25837 1753 1 6 . 1 1 73 73 LEU N N 73 127.621 127.621 125.434 2.187 25837 1754 1 6 . 1 1 73 73 LEU HA H 73 3.630 3.630 4.107 -0.477 25837 1755 1 6 . 1 1 73 73 LEU C C 73 173.960 173.960 174.948 -0.988 25837 1756 1 6 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.806 -0.893 25837 1757 1 6 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.284 -2.338 25837 1758 1 6 . 1 1 73 73 LEU H H 73 7.464 7.464 8.125 -0.661 25837 1759 1 6 . 1 1 74 74 VAL N N 74 129.811 129.811 128.508 1.303 25837 1760 1 6 . 1 1 74 74 VAL HA H 74 3.975 3.975 4.157 -0.182 25837 1761 1 6 . 1 1 74 74 VAL C C 74 173.960 173.960 174.353 -0.393 25837 1762 1 6 . 1 1 74 74 VAL CA C 74 62.013 62.013 61.462 0.551 25837 1763 1 6 . 1 1 74 74 VAL CB C 74 33.650 33.650 32.969 0.681 25837 1764 1 6 . 1 1 74 74 VAL H H 74 9.114 9.114 8.450 0.664 25837 1765 1 6 . 1 1 75 75 LYS N N 75 124.830 124.830 127.114 -2.284 25837 1766 1 6 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.577 -0.263 25837 1767 1 6 . 1 1 75 75 LYS C C 75 175.105 175.105 175.245 -0.140 25837 1768 1 6 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.691 -0.469 25837 1769 1 6 . 1 1 75 75 LYS CB C 75 33.511 33.511 32.603 0.908 25837 1770 1 6 . 1 1 75 75 LYS H H 75 8.239 8.239 8.478 -0.239 25837 1771 1 6 . 1 1 76 76 TRP N N 76 129.121 129.121 127.128 1.993 25837 1772 1 6 . 1 1 76 76 TRP HA H 76 4.855 4.855 5.148 -0.293 25837 1773 1 6 . 1 1 76 76 TRP C C 76 177.148 177.148 177.572 -0.424 25837 1774 1 6 . 1 1 76 76 TRP CA C 76 55.856 55.856 56.745 -0.888 25837 1775 1 6 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.408 1.029 25837 1776 1 6 . 1 1 76 76 TRP H H 76 9.097 9.097 8.656 0.441 25837 1777 1 6 . 1 1 77 77 THR N N 77 117.433 117.433 116.763 0.670 25837 1778 1 6 . 1 1 77 77 THR HA H 77 4.106 4.106 4.164 -0.058 25837 1779 1 6 . 1 1 77 77 THR C C 77 174.996 174.996 175.709 -0.713 25837 1780 1 6 . 1 1 77 77 THR CA C 77 64.410 64.410 65.427 -1.017 25837 1781 1 6 . 1 1 77 77 THR CB C 77 69.516 69.516 68.926 0.590 25837 1782 1 6 . 1 1 77 77 THR H H 77 9.012 9.012 8.831 0.181 25837 1783 1 6 . 1 1 78 78 ASP N N 78 119.514 119.514 119.769 -0.255 25837 1784 1 6 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.611 -0.182 25837 1785 1 6 . 1 1 78 78 ASP C C 78 174.996 174.996 177.165 -2.169 25837 1786 1 6 . 1 1 78 78 ASP CA C 78 54.957 54.957 56.105 -1.148 25837 1787 1 6 . 1 1 78 78 ASP CB C 78 40.082 40.082 40.928 -0.846 25837 1788 1 6 . 1 1 78 78 ASP H H 78 8.805 8.805 8.653 0.152 25837 1789 1 6 . 1 1 79 79 MET N N 79 115.174 115.174 119.801 -4.627 25837 1790 1 6 . 1 1 79 79 MET HA H 79 4.750 4.750 4.560 0.190 25837 1791 1 6 . 1 1 79 79 MET C C 79 175.350 175.350 175.683 -0.333 25837 1792 1 6 . 1 1 79 79 MET CA C 79 55.038 55.038 54.593 0.445 25837 1793 1 6 . 1 1 79 79 MET CB C 79 34.134 34.134 31.055 3.079 25837 1794 1 6 . 1 1 79 79 MET H H 79 7.648 7.648 8.319 -0.671 25837 1795 1 6 . 1 1 80 80 SER N N 80 110.575 110.575 116.378 -5.803 25837 1796 1 6 . 1 1 80 80 SER HA H 80 4.291 4.291 4.347 -0.056 25837 1797 1 6 . 1 1 80 80 SER C C 80 174.342 174.342 175.846 -1.504 25837 1798 1 6 . 1 1 80 80 SER CA C 80 60.200 60.200 61.014 -0.814 25837 1799 1 6 . 1 1 80 80 SER CB C 80 63.500 63.500 63.030 0.470 25837 1800 1 6 . 1 1 80 80 SER H H 80 8.065 8.065 7.665 0.400 25837 1801 1 6 . 1 1 81 81 ASP N N 81 120.165 120.165 122.494 -2.329 25837 1802 1 6 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.567 0.132 25837 1803 1 6 . 1 1 81 81 ASP C C 81 175.568 175.568 175.236 0.332 25837 1804 1 6 . 1 1 81 81 ASP CA C 81 54.303 54.303 54.024 0.279 25837 1805 1 6 . 1 1 81 81 ASP CB C 81 41.186 41.186 39.157 2.030 25837 1806 1 6 . 1 1 81 81 ASP H H 81 8.101 8.101 8.431 -0.330 25837 1807 1 6 . 1 1 82 82 ALA N N 82 127.921 127.921 122.459 5.462 25837 1808 1 6 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.286 0.753 25837 1809 1 6 . 1 1 82 82 ALA C C 82 177.584 177.584 177.104 0.480 25837 1810 1 6 . 1 1 82 82 ALA CA C 82 51.905 51.905 53.315 -1.410 25837 1811 1 6 . 1 1 82 82 ALA CB C 82 19.752 19.752 19.850 -0.098 25837 1812 1 6 . 1 1 82 82 ALA H H 82 8.461 8.461 7.853 0.608 25837 1813 1 6 . 1 1 83 83 THR N N 83 111.593 111.593 116.274 -4.681 25837 1814 1 6 . 1 1 83 83 THR HA H 83 4.666 4.666 4.630 0.036 25837 1815 1 6 . 1 1 83 83 THR C C 83 173.116 173.116 173.269 -0.153 25837 1816 1 6 . 1 1 83 83 THR CA C 83 59.588 59.588 60.603 -1.015 25837 1817 1 6 . 1 1 83 83 THR CB C 83 70.919 70.919 71.411 -0.492 25837 1818 1 6 . 1 1 83 83 THR H H 83 8.613 8.613 8.155 0.458 25837 1819 1 6 . 1 1 84 84 TRP N N 84 123.175 123.175 125.891 -2.716 25837 1820 1 6 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.115 -0.182 25837 1821 1 6 . 1 1 84 84 TRP C C 84 176.930 176.930 176.190 0.740 25837 1822 1 6 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.346 0.163 25837 1823 1 6 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.646 -0.076 25837 1824 1 6 . 1 1 84 84 TRP H H 84 8.525 8.525 8.870 -0.345 25837 1825 1 6 . 1 1 85 85 GLU N N 85 125.264 125.264 123.831 1.433 25837 1826 1 6 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.015 0.159 25837 1827 1 6 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.246 -1.232 25837 1828 1 6 . 1 1 85 85 GLU CB C 85 32.336 32.336 31.593 0.743 25837 1829 1 6 . 1 1 85 85 GLU H H 85 9.790 9.790 9.325 0.465 25837 1830 1 6 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.721 -0.018 25837 1831 1 6 . 1 1 86 86 PRO C C 86 178.210 178.210 178.141 0.069 25837 1832 1 6 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.983 -0.307 25837 1833 1 6 . 1 1 86 86 PRO CB C 86 32.373 32.373 33.066 -0.693 25837 1834 1 6 . 1 1 87 87 GLN N N 87 118.980 118.980 121.848 -2.868 25837 1835 1 6 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.033 0.047 25837 1836 1 6 . 1 1 87 87 GLN C C 87 176.385 176.385 177.262 -0.877 25837 1837 1 6 . 1 1 87 87 GLN CA C 87 59.642 59.642 58.822 0.820 25837 1838 1 6 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.261 0.687 25837 1839 1 6 . 1 1 87 87 GLN H H 87 8.525 8.525 8.930 -0.405 25837 1840 1 6 . 1 1 88 88 ASP N N 88 116.080 116.080 117.878 -1.798 25837 1841 1 6 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.474 0.065 25837 1842 1 6 . 1 1 88 88 ASP C C 88 176.303 176.303 177.152 -0.849 25837 1843 1 6 . 1 1 88 88 ASP CA C 88 55.910 55.910 56.517 -0.607 25837 1844 1 6 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.724 -0.782 25837 1845 1 6 . 1 1 88 88 ASP H H 88 8.632 8.632 8.188 0.444 25837 1846 1 6 . 1 1 89 89 ASN N N 89 116.500 116.500 116.059 0.441 25837 1847 1 6 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.710 0.298 25837 1848 1 6 . 1 1 89 89 ASN C C 89 174.505 174.505 176.161 -1.656 25837 1849 1 6 . 1 1 89 89 ASN CA C 89 52.368 52.368 54.417 -2.049 25837 1850 1 6 . 1 1 89 89 ASN CB C 89 39.665 39.665 39.598 0.067 25837 1851 1 6 . 1 1 89 89 ASN H H 89 8.337 8.337 7.942 0.395 25837 1852 1 6 . 1 1 90 90 VAL N N 90 119.615 119.615 120.892 -1.277 25837 1853 1 6 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.926 0.716 25837 1854 1 6 . 1 1 90 90 VAL C C 90 174.451 174.451 174.969 -0.518 25837 1855 1 6 . 1 1 90 90 VAL CA C 90 61.441 61.441 62.873 -1.431 25837 1856 1 6 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.403 0.901 25837 1857 1 6 . 1 1 90 90 VAL H H 90 7.349 7.349 7.709 -0.360 25837 1858 1 6 . 1 1 91 91 ASP N N 91 128.142 128.142 125.785 2.357 25837 1859 1 6 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.440 -0.083 25837 1860 1 6 . 1 1 91 91 ASP C C 91 177.475 177.475 176.841 0.634 25837 1861 1 6 . 1 1 91 91 ASP CA C 91 55.283 55.283 54.785 0.498 25837 1862 1 6 . 1 1 91 91 ASP CB C 91 42.154 42.154 41.398 0.756 25837 1863 1 6 . 1 1 91 91 ASP H H 91 8.512 8.512 8.497 0.015 25837 1864 1 6 . 1 1 92 92 SER N N 92 122.911 122.911 121.556 1.355 25837 1865 1 6 . 1 1 92 92 SER HA H 92 3.903 3.903 4.197 -0.294 25837 1866 1 6 . 1 1 92 92 SER C C 92 176.603 176.603 176.081 0.522 25837 1867 1 6 . 1 1 92 92 SER CA C 92 61.686 61.686 61.228 0.458 25837 1868 1 6 . 1 1 92 92 SER CB C 92 62.551 62.551 62.973 -0.422 25837 1869 1 6 . 1 1 92 92 SER H H 92 8.854 8.854 8.791 0.063 25837 1870 1 6 . 1 1 93 93 THR N N 93 118.505 118.505 118.381 0.124 25837 1871 1 6 . 1 1 93 93 THR HA H 93 3.938 3.938 4.040 -0.102 25837 1872 1 6 . 1 1 93 93 THR C C 93 176.521 176.521 176.563 -0.042 25837 1873 1 6 . 1 1 93 93 THR CA C 93 66.072 66.072 65.739 0.333 25837 1874 1 6 . 1 1 93 93 THR CB C 93 68.129 68.129 68.380 -0.251 25837 1875 1 6 . 1 1 93 93 THR H H 93 8.580 8.580 8.159 0.421 25837 1876 1 6 . 1 1 94 94 LEU N N 94 120.120 120.120 120.794 -0.674 25837 1877 1 6 . 1 1 94 94 LEU HA H 94 4.044 4.044 4.006 0.038 25837 1878 1 6 . 1 1 94 94 LEU C C 94 180.362 180.362 178.688 1.674 25837 1879 1 6 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.410 -0.197 25837 1880 1 6 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.453 0.234 25837 1881 1 6 . 1 1 94 94 LEU H H 94 7.415 7.415 8.263 -0.848 25837 1882 1 6 . 1 1 95 95 VAL N N 95 120.455 120.455 119.523 0.932 25837 1883 1 6 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.401 -0.303 25837 1884 1 6 . 1 1 95 95 VAL C C 95 177.338 177.338 177.728 -0.390 25837 1885 1 6 . 1 1 95 95 VAL CA C 95 66.726 66.726 66.572 0.154 25837 1886 1 6 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.060 0.308 25837 1887 1 6 . 1 1 95 95 VAL H H 95 7.151 7.151 7.776 -0.625 25837 1888 1 6 . 1 1 96 96 LEU N N 96 120.561 120.561 120.327 0.234 25837 1889 1 6 . 1 1 96 96 LEU HA H 96 4.055 4.055 4.153 -0.098 25837 1890 1 6 . 1 1 96 96 LEU C C 96 179.245 179.245 178.298 0.947 25837 1891 1 6 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.903 0.157 25837 1892 1 6 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.823 -0.493 25837 1893 1 6 . 1 1 96 96 LEU H H 96 7.900 7.900 8.288 -0.388 25837 1894 1 6 . 1 1 97 97 LEU N N 97 118.021 118.021 116.285 1.736 25837 1895 1 6 . 1 1 97 97 LEU HA H 97 4.045 4.045 4.064 -0.019 25837 1896 1 6 . 1 1 97 97 LEU C C 97 179.409 179.409 177.850 1.559 25837 1897 1 6 . 1 1 97 97 LEU CA C 97 57.648 57.648 56.952 0.696 25837 1898 1 6 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.542 0.128 25837 1899 1 6 . 1 1 97 97 LEU H H 97 7.610 7.610 7.565 0.045 25837 1900 1 6 . 1 1 98 98 TYR N N 98 120.085 120.085 118.992 1.093 25837 1901 1 6 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.279 0.012 25837 1902 1 6 . 1 1 98 98 TYR C C 98 177.910 177.910 178.184 -0.274 25837 1903 1 6 . 1 1 98 98 TYR CA C 98 60.678 60.678 61.064 -0.386 25837 1904 1 6 . 1 1 98 98 TYR CB C 98 37.798 37.798 40.114 -2.316 25837 1905 1 6 . 1 1 98 98 TYR H H 98 7.486 7.486 7.609 -0.123 25837 1906 1 6 . 1 1 99 99 GLN N N 99 119.291 119.291 118.650 0.641 25837 1907 1 6 . 1 1 99 99 GLN HA H 99 3.768 3.768 3.985 -0.217 25837 1908 1 6 . 1 1 99 99 GLN C C 99 178.210 178.210 178.447 -0.237 25837 1909 1 6 . 1 1 99 99 GLN CA C 99 58.090 58.090 59.333 -1.243 25837 1910 1 6 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.680 -0.284 25837 1911 1 6 . 1 1 99 99 GLN H H 99 8.486 8.486 8.910 -0.424 25837 1912 1 6 . 1 1 100 100 GLN N N 100 116.903 116.903 117.842 -0.939 25837 1913 1 6 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.128 -0.009 25837 1914 1 6 . 1 1 100 100 GLN C C 100 176.603 176.603 176.724 -0.121 25837 1915 1 6 . 1 1 100 100 GLN CA C 100 57.163 57.163 57.990 -0.827 25837 1916 1 6 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.418 0.115 25837 1917 1 6 . 1 1 100 100 GLN H H 100 8.028 8.028 8.156 -0.128 25837 1918 1 6 . 1 1 101 101 GLN N N 101 117.138 117.138 115.463 1.675 25837 1919 1 6 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.445 -0.189 25837 1920 1 6 . 1 1 101 101 GLN C C 101 175.786 175.786 175.538 0.248 25837 1921 1 6 . 1 1 101 101 GLN CA C 101 55.719 55.719 54.741 0.978 25837 1922 1 6 . 1 1 101 101 GLN CB C 101 28.965 28.965 29.362 -0.397 25837 1923 1 6 . 1 1 101 101 GLN H H 101 7.518 7.518 7.556 -0.038 25837 1924 1 6 . 1 1 102 102 GLN N N 102 120.384 120.384 121.194 -0.810 25837 1925 1 6 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.712 -0.272 25837 1926 1 6 . 1 1 102 102 GLN CA C 102 53.431 53.431 52.632 0.799 25837 1927 1 6 . 1 1 102 102 GLN CB C 102 27.980 27.980 30.201 -2.221 25837 1928 1 6 . 1 1 102 102 GLN H H 102 7.689 7.689 7.761 -0.072 25837 1929 1 6 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.548 -0.156 25837 1930 1 6 . 1 1 103 103 PRO C C 103 176.875 176.875 175.777 1.098 25837 1931 1 6 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.037 0.073 25837 1932 1 6 . 1 1 103 103 PRO CB C 103 31.883 31.883 30.597 1.286 25837 1933 1 6 . 1 1 104 104 MET N N 104 120.498 120.498 125.059 -4.561 25837 1934 1 6 . 1 1 104 104 MET HA H 104 4.429 4.429 4.744 -0.315 25837 1935 1 6 . 1 1 104 104 MET C C 104 175.786 175.786 174.850 0.936 25837 1936 1 6 . 1 1 104 104 MET CA C 104 55.365 55.365 55.011 0.354 25837 1937 1 6 . 1 1 104 104 MET CB C 104 32.682 32.682 34.801 -2.119 25837 1938 1 6 . 1 1 104 104 MET H H 104 8.461 8.461 7.996 0.465 25837 1939 1 6 . 1 1 105 105 ASN N N 105 120.052 120.052 125.222 -5.170 25837 1940 1 6 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.800 -0.077 25837 1941 1 6 . 1 1 105 105 ASN C C 105 173.933 173.933 175.196 -1.263 25837 1942 1 6 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.061 0.261 25837 1943 1 6 . 1 1 105 105 ASN CB C 105 38.974 38.974 38.848 0.126 25837 1944 1 6 . 1 1 105 105 ASN H H 105 8.439 8.439 8.722 -0.283 25837 1945 1 7 . 1 1 50 50 LEU N N 50 121.638 121.638 123.429 -1.791 25837 1946 1 7 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.381 -0.161 25837 1947 1 7 . 1 1 50 50 LEU C C 50 177.393 177.393 176.365 1.028 25837 1948 1 7 . 1 1 50 50 LEU CA C 50 55.098 55.098 54.658 0.440 25837 1949 1 7 . 1 1 50 50 LEU CB C 50 42.293 42.293 41.102 1.191 25837 1950 1 7 . 1 1 50 50 LEU H H 50 8.002 8.002 8.350 -0.348 25837 1951 1 7 . 1 1 51 51 GLU N N 51 120.898 120.898 119.184 1.714 25837 1952 1 7 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.024 0.080 25837 1953 1 7 . 1 1 51 51 GLU C C 51 175.840 175.840 176.372 -0.532 25837 1954 1 7 . 1 1 51 51 GLU CA C 51 56.564 56.564 57.410 -0.846 25837 1955 1 7 . 1 1 51 51 GLU CB C 51 29.821 29.821 29.734 0.087 25837 1956 1 7 . 1 1 51 51 GLU H H 51 8.544 8.544 7.845 0.699 25837 1957 1 7 . 1 1 52 52 TYR N N 52 118.796 118.796 119.593 -0.797 25837 1958 1 7 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.539 -0.087 25837 1959 1 7 . 1 1 52 52 TYR C C 52 174.723 174.723 174.124 0.599 25837 1960 1 7 . 1 1 52 52 TYR CA C 52 57.109 57.109 57.821 -0.712 25837 1961 1 7 . 1 1 52 52 TYR CB C 52 38.430 38.430 37.873 0.557 25837 1962 1 7 . 1 1 52 52 TYR H H 52 7.787 7.787 7.850 -0.063 25837 1963 1 7 . 1 1 53 53 ALA N N 53 125.078 125.078 125.919 -0.841 25837 1964 1 7 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.697 -0.355 25837 1965 1 7 . 1 1 53 53 ALA C C 53 176.467 176.467 175.633 0.834 25837 1966 1 7 . 1 1 53 53 ALA CA C 53 51.932 51.932 52.671 -0.739 25837 1967 1 7 . 1 1 53 53 ALA CB C 53 20.153 20.153 20.798 -0.645 25837 1968 1 7 . 1 1 53 53 ALA H H 53 7.848 7.848 8.453 -0.605 25837 1969 1 7 . 1 1 54 54 VAL N N 54 120.277 120.277 123.469 -3.192 25837 1970 1 7 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.384 0.064 25837 1971 1 7 . 1 1 54 54 VAL C C 54 175.867 175.867 175.016 0.851 25837 1972 1 7 . 1 1 54 54 VAL CA C 54 61.333 61.333 60.613 0.720 25837 1973 1 7 . 1 1 54 54 VAL CB C 54 33.990 33.990 33.201 0.789 25837 1974 1 7 . 1 1 54 54 VAL H H 54 8.622 8.622 9.117 -0.495 25837 1975 1 7 . 1 1 55 55 ALA N N 55 131.772 131.772 131.197 0.575 25837 1976 1 7 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.401 0.404 25837 1977 1 7 . 1 1 55 55 ALA C C 55 175.758 175.758 177.041 -1.283 25837 1978 1 7 . 1 1 55 55 ALA CA C 55 52.831 52.831 52.050 0.781 25837 1979 1 7 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.688 1.373 25837 1980 1 7 . 1 1 55 55 ALA H H 55 8.973 8.973 8.668 0.305 25837 1981 1 7 . 1 1 56 56 GLU N N 56 123.274 123.274 125.690 -2.416 25837 1982 1 7 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.181 0.062 25837 1983 1 7 . 1 1 56 56 GLU C C 56 176.058 176.058 176.552 -0.494 25837 1984 1 7 . 1 1 56 56 GLU CA C 56 57.245 57.245 57.960 -0.715 25837 1985 1 7 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.714 1.345 25837 1986 1 7 . 1 1 56 56 GLU H H 56 9.357 9.357 8.700 0.657 25837 1987 1 7 . 1 1 57 57 SER N N 57 108.822 108.822 110.190 -1.368 25837 1988 1 7 . 1 1 57 57 SER HA H 57 4.406 4.406 4.468 -0.062 25837 1989 1 7 . 1 1 57 57 SER C C 57 171.400 171.400 172.045 -0.645 25837 1990 1 7 . 1 1 57 57 SER CA C 57 57.463 57.463 57.615 -0.152 25837 1991 1 7 . 1 1 57 57 SER CB C 57 64.855 64.855 66.513 -1.658 25837 1992 1 7 . 1 1 57 57 SER H H 57 7.646 7.646 7.474 0.172 25837 1993 1 7 . 1 1 58 58 VAL N N 58 121.411 121.411 122.194 -0.783 25837 1994 1 7 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.415 0.026 25837 1995 1 7 . 1 1 58 58 VAL C C 58 175.731 175.731 175.586 0.145 25837 1996 1 7 . 1 1 58 58 VAL CA C 58 61.133 61.133 62.314 -1.181 25837 1997 1 7 . 1 1 58 58 VAL CB C 58 32.958 32.958 32.606 0.352 25837 1998 1 7 . 1 1 58 58 VAL H H 58 8.566 8.566 8.512 0.054 25837 1999 1 7 . 1 1 59 59 ILE N N 59 116.198 116.198 119.163 -2.965 25837 2000 1 7 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.536 0.106 25837 2001 1 7 . 1 1 59 59 ILE C C 59 175.568 175.568 174.662 0.906 25837 2002 1 7 . 1 1 59 59 ILE CA C 59 60.514 60.514 59.276 1.238 25837 2003 1 7 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.356 0.171 25837 2004 1 7 . 1 1 59 59 ILE H H 59 8.840 8.840 8.274 0.566 25837 2005 1 7 . 1 1 60 60 GLY N N 60 110.098 110.098 109.310 0.788 25837 2006 1 7 . 1 1 60 60 GLY C C 60 170.392 170.392 171.706 -1.314 25837 2007 1 7 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.789 0.986 25837 2008 1 7 . 1 1 60 60 GLY H H 60 6.985 6.985 6.882 0.103 25837 2009 1 7 . 1 1 61 61 LYS N N 61 121.033 121.033 122.781 -1.748 25837 2010 1 7 . 1 1 61 61 LYS HA H 61 5.398 5.398 4.827 0.571 25837 2011 1 7 . 1 1 61 61 LYS C C 61 173.879 173.879 175.147 -1.268 25837 2012 1 7 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.912 0.107 25837 2013 1 7 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.485 1.484 25837 2014 1 7 . 1 1 61 61 LYS H H 61 8.677 8.677 8.705 -0.028 25837 2015 1 7 . 1 1 62 62 ARG N N 62 124.198 124.198 127.072 -2.874 25837 2016 1 7 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.709 -0.032 25837 2017 1 7 . 1 1 62 62 ARG C C 62 172.626 172.626 174.247 -1.621 25837 2018 1 7 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.773 0.639 25837 2019 1 7 . 1 1 62 62 ARG CB C 62 32.405 32.405 32.286 0.119 25837 2020 1 7 . 1 1 62 62 ARG H H 62 9.334 9.334 9.084 0.250 25837 2021 1 7 . 1 1 63 63 VAL N N 63 119.879 119.879 124.651 -4.772 25837 2022 1 7 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.119 0.209 25837 2023 1 7 . 1 1 63 63 VAL C C 63 176.576 176.576 175.956 0.620 25837 2024 1 7 . 1 1 63 63 VAL CA C 63 61.550 61.550 61.513 0.037 25837 2025 1 7 . 1 1 63 63 VAL CB C 63 32.198 32.198 32.404 -0.206 25837 2026 1 7 . 1 1 63 63 VAL H H 63 8.093 8.093 8.511 -0.418 25837 2027 1 7 . 1 1 64 64 GLY N N 64 113.318 113.318 114.845 -1.527 25837 2028 1 7 . 1 1 64 64 GLY C C 64 174.669 174.669 175.199 -0.530 25837 2029 1 7 . 1 1 64 64 GLY CA C 64 44.277 44.277 44.663 -0.386 25837 2030 1 7 . 1 1 64 64 GLY H H 64 9.036 9.036 8.093 0.943 25837 2031 1 7 . 1 1 65 65 ASP N N 65 120.277 120.277 124.979 -4.702 25837 2032 1 7 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.506 -0.294 25837 2033 1 7 . 1 1 65 65 ASP C C 65 176.576 176.576 176.574 0.002 25837 2034 1 7 . 1 1 65 65 ASP CA C 65 56.508 56.508 56.341 0.167 25837 2035 1 7 . 1 1 65 65 ASP CB C 65 40.080 40.080 41.081 -1.000 25837 2036 1 7 . 1 1 65 65 ASP H H 65 8.676 8.676 8.774 -0.098 25837 2037 1 7 . 1 1 66 66 ASP N N 66 116.944 116.944 118.580 -1.636 25837 2038 1 7 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.589 -0.228 25837 2039 1 7 . 1 1 66 66 ASP C C 66 177.502 177.502 176.187 1.315 25837 2040 1 7 . 1 1 66 66 ASP CA C 66 53.703 53.703 54.147 -0.444 25837 2041 1 7 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.676 -1.011 25837 2042 1 7 . 1 1 66 66 ASP H H 66 8.102 8.102 8.355 -0.253 25837 2043 1 7 . 1 1 67 67 GLY N N 67 108.288 108.288 107.311 0.977 25837 2044 1 7 . 1 1 67 67 GLY C C 67 177.938 177.938 173.848 4.090 25837 2045 1 7 . 1 1 67 67 GLY CA C 67 45.716 45.716 44.688 1.028 25837 2046 1 7 . 1 1 67 67 GLY H H 67 8.268 8.268 7.377 0.891 25837 2047 1 7 . 1 1 68 68 LYS N N 68 119.172 119.172 121.431 -2.259 25837 2048 1 7 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.195 0.232 25837 2049 1 7 . 1 1 68 68 LYS C C 68 175.786 175.786 176.706 -0.920 25837 2050 1 7 . 1 1 68 68 LYS CA C 68 57.027 57.027 56.662 0.365 25837 2051 1 7 . 1 1 68 68 LYS CB C 68 35.793 35.793 32.956 2.837 25837 2052 1 7 . 1 1 68 68 LYS H H 68 8.483 8.483 7.713 0.770 25837 2053 1 7 . 1 1 69 69 THR N N 69 122.302 122.302 119.153 3.149 25837 2054 1 7 . 1 1 69 69 THR HA H 69 4.035 4.035 4.224 -0.189 25837 2055 1 7 . 1 1 69 69 THR C C 69 173.279 173.279 174.505 -1.226 25837 2056 1 7 . 1 1 69 69 THR CA C 69 64.029 64.029 63.743 0.286 25837 2057 1 7 . 1 1 69 69 THR CB C 69 68.428 68.428 69.434 -1.006 25837 2058 1 7 . 1 1 69 69 THR H H 69 9.858 9.858 8.434 1.424 25837 2059 1 7 . 1 1 70 70 ILE N N 70 128.434 128.434 126.966 1.468 25837 2060 1 7 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.113 0.240 25837 2061 1 7 . 1 1 70 70 ILE C C 70 174.805 174.805 175.080 -0.275 25837 2062 1 7 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.915 -1.809 25837 2063 1 7 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.063 0.390 25837 2064 1 7 . 1 1 70 70 ILE H H 70 8.371 8.371 8.598 -0.227 25837 2065 1 7 . 1 1 71 71 GLU N N 71 125.034 125.034 127.226 -2.192 25837 2066 1 7 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.927 0.109 25837 2067 1 7 . 1 1 71 71 GLU C C 71 174.315 174.315 175.247 -0.932 25837 2068 1 7 . 1 1 71 71 GLU CA C 71 53.513 53.513 55.065 -1.552 25837 2069 1 7 . 1 1 71 71 GLU CB C 71 34.341 34.341 32.819 1.522 25837 2070 1 7 . 1 1 71 71 GLU H H 71 8.709 8.709 8.593 0.116 25837 2071 1 7 . 1 1 72 72 TYR N N 72 117.954 117.954 121.921 -3.967 25837 2072 1 7 . 1 1 72 72 TYR HA H 72 5.219 5.219 5.006 0.213 25837 2073 1 7 . 1 1 72 72 TYR C C 72 173.198 173.198 174.994 -1.796 25837 2074 1 7 . 1 1 72 72 TYR CA C 72 56.537 56.537 56.865 -0.328 25837 2075 1 7 . 1 1 72 72 TYR CB C 72 41.809 41.809 41.509 0.300 25837 2076 1 7 . 1 1 72 72 TYR H H 72 9.301 9.301 9.506 -0.205 25837 2077 1 7 . 1 1 73 73 LEU N N 73 127.621 127.621 124.338 3.283 25837 2078 1 7 . 1 1 73 73 LEU HA H 73 3.630 3.630 3.805 -0.175 25837 2079 1 7 . 1 1 73 73 LEU C C 73 173.960 173.960 174.934 -0.974 25837 2080 1 7 . 1 1 73 73 LEU CA C 73 52.913 52.913 54.120 -1.207 25837 2081 1 7 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.401 -2.455 25837 2082 1 7 . 1 1 73 73 LEU H H 73 7.464 7.464 8.023 -0.559 25837 2083 1 7 . 1 1 74 74 VAL N N 74 129.811 129.811 126.879 2.932 25837 2084 1 7 . 1 1 74 74 VAL HA H 74 3.975 3.975 3.924 0.051 25837 2085 1 7 . 1 1 74 74 VAL C C 74 173.960 173.960 175.198 -1.238 25837 2086 1 7 . 1 1 74 74 VAL CA C 74 62.013 62.013 60.978 1.034 25837 2087 1 7 . 1 1 74 74 VAL CB C 74 33.650 33.650 31.653 1.997 25837 2088 1 7 . 1 1 74 74 VAL H H 74 9.114 9.114 8.241 0.873 25837 2089 1 7 . 1 1 75 75 LYS N N 75 124.830 124.830 129.219 -4.389 25837 2090 1 7 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.457 -0.143 25837 2091 1 7 . 1 1 75 75 LYS C C 75 175.105 175.105 175.452 -0.347 25837 2092 1 7 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.795 -0.574 25837 2093 1 7 . 1 1 75 75 LYS CB C 75 33.511 33.511 32.107 1.404 25837 2094 1 7 . 1 1 75 75 LYS H H 75 8.239 8.239 8.843 -0.604 25837 2095 1 7 . 1 1 76 76 TRP N N 76 129.121 129.121 126.583 2.538 25837 2096 1 7 . 1 1 76 76 TRP HA H 76 4.855 4.855 5.100 -0.245 25837 2097 1 7 . 1 1 76 76 TRP C C 76 177.148 177.148 177.347 -0.199 25837 2098 1 7 . 1 1 76 76 TRP CA C 76 55.856 55.856 56.664 -0.808 25837 2099 1 7 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.423 1.014 25837 2100 1 7 . 1 1 76 76 TRP H H 76 9.097 9.097 8.449 0.648 25837 2101 1 7 . 1 1 77 77 THR N N 77 117.433 117.433 116.794 0.639 25837 2102 1 7 . 1 1 77 77 THR HA H 77 4.106 4.106 4.172 -0.066 25837 2103 1 7 . 1 1 77 77 THR C C 77 174.996 174.996 175.481 -0.485 25837 2104 1 7 . 1 1 77 77 THR CA C 77 64.410 64.410 64.806 -0.397 25837 2105 1 7 . 1 1 77 77 THR CB C 77 69.516 69.516 69.227 0.289 25837 2106 1 7 . 1 1 77 77 THR H H 77 9.012 9.012 8.803 0.209 25837 2107 1 7 . 1 1 78 78 ASP N N 78 119.514 119.514 119.635 -0.121 25837 2108 1 7 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.671 -0.242 25837 2109 1 7 . 1 1 78 78 ASP C C 78 174.996 174.996 177.075 -2.079 25837 2110 1 7 . 1 1 78 78 ASP CA C 78 54.957 54.957 56.548 -1.591 25837 2111 1 7 . 1 1 78 78 ASP CB C 78 40.082 40.082 40.917 -0.835 25837 2112 1 7 . 1 1 78 78 ASP H H 78 8.805 8.805 8.590 0.215 25837 2113 1 7 . 1 1 79 79 MET N N 79 115.174 115.174 120.431 -5.257 25837 2114 1 7 . 1 1 79 79 MET HA H 79 4.750 4.750 4.465 0.285 25837 2115 1 7 . 1 1 79 79 MET C C 79 175.350 175.350 175.835 -0.485 25837 2116 1 7 . 1 1 79 79 MET CA C 79 55.038 55.038 53.772 1.266 25837 2117 1 7 . 1 1 79 79 MET CB C 79 34.134 34.134 30.761 3.373 25837 2118 1 7 . 1 1 79 79 MET H H 79 7.648 7.648 8.342 -0.694 25837 2119 1 7 . 1 1 80 80 SER N N 80 110.575 110.575 115.697 -5.122 25837 2120 1 7 . 1 1 80 80 SER HA H 80 4.291 4.291 4.315 -0.024 25837 2121 1 7 . 1 1 80 80 SER C C 80 174.342 174.342 176.196 -1.854 25837 2122 1 7 . 1 1 80 80 SER CA C 80 60.200 60.200 61.173 -0.973 25837 2123 1 7 . 1 1 80 80 SER CB C 80 63.500 63.500 63.018 0.482 25837 2124 1 7 . 1 1 80 80 SER H H 80 8.065 8.065 7.735 0.330 25837 2125 1 7 . 1 1 81 81 ASP N N 81 120.165 120.165 121.955 -1.790 25837 2126 1 7 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.612 0.087 25837 2127 1 7 . 1 1 81 81 ASP C C 81 175.568 175.568 175.304 0.264 25837 2128 1 7 . 1 1 81 81 ASP CA C 81 54.303 54.303 53.049 1.254 25837 2129 1 7 . 1 1 81 81 ASP CB C 81 41.186 41.186 40.024 1.162 25837 2130 1 7 . 1 1 81 81 ASP H H 81 8.101 8.101 8.222 -0.121 25837 2131 1 7 . 1 1 82 82 ALA N N 82 127.921 127.921 123.867 4.054 25837 2132 1 7 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.284 0.755 25837 2133 1 7 . 1 1 82 82 ALA C C 82 177.584 177.584 176.801 0.783 25837 2134 1 7 . 1 1 82 82 ALA CA C 82 51.905 51.905 53.509 -1.604 25837 2135 1 7 . 1 1 82 82 ALA CB C 82 19.752 19.752 19.663 0.089 25837 2136 1 7 . 1 1 82 82 ALA H H 82 8.461 8.461 7.781 0.680 25837 2137 1 7 . 1 1 83 83 THR N N 83 111.593 111.593 116.485 -4.892 25837 2138 1 7 . 1 1 83 83 THR HA H 83 4.666 4.666 4.721 -0.055 25837 2139 1 7 . 1 1 83 83 THR C C 83 173.116 173.116 173.968 -0.852 25837 2140 1 7 . 1 1 83 83 THR CA C 83 59.588 59.588 59.614 -0.026 25837 2141 1 7 . 1 1 83 83 THR CB C 83 70.919 70.919 70.975 -0.056 25837 2142 1 7 . 1 1 83 83 THR H H 83 8.613 8.613 8.152 0.461 25837 2143 1 7 . 1 1 84 84 TRP N N 84 123.175 123.175 126.516 -3.341 25837 2144 1 7 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.098 -0.165 25837 2145 1 7 . 1 1 84 84 TRP C C 84 176.930 176.930 175.927 1.003 25837 2146 1 7 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.846 -0.337 25837 2147 1 7 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.406 0.164 25837 2148 1 7 . 1 1 84 84 TRP H H 84 8.525 8.525 8.863 -0.338 25837 2149 1 7 . 1 1 85 85 GLU N N 85 125.264 125.264 124.383 0.881 25837 2150 1 7 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.005 0.169 25837 2151 1 7 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.117 -1.103 25837 2152 1 7 . 1 1 85 85 GLU CB C 85 32.336 32.336 31.884 0.452 25837 2153 1 7 . 1 1 85 85 GLU H H 85 9.790 9.790 9.300 0.490 25837 2154 1 7 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.922 -0.219 25837 2155 1 7 . 1 1 86 86 PRO C C 86 178.210 178.210 177.986 0.224 25837 2156 1 7 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.995 -0.319 25837 2157 1 7 . 1 1 86 86 PRO CB C 86 32.373 32.373 32.348 0.025 25837 2158 1 7 . 1 1 87 87 GLN N N 87 118.980 118.980 124.312 -5.332 25837 2159 1 7 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.051 0.029 25837 2160 1 7 . 1 1 87 87 GLN C C 87 176.385 176.385 176.524 -0.139 25837 2161 1 7 . 1 1 87 87 GLN CA C 87 59.642 59.642 58.535 1.107 25837 2162 1 7 . 1 1 87 87 GLN CB C 87 28.948 28.948 27.668 1.280 25837 2163 1 7 . 1 1 87 87 GLN H H 87 8.525 8.525 8.424 0.101 25837 2164 1 7 . 1 1 88 88 ASP N N 88 116.080 116.080 119.096 -3.016 25837 2165 1 7 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.446 0.093 25837 2166 1 7 . 1 1 88 88 ASP C C 88 176.303 176.303 176.770 -0.467 25837 2167 1 7 . 1 1 88 88 ASP CA C 88 55.910 55.910 56.487 -0.577 25837 2168 1 7 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.800 -0.858 25837 2169 1 7 . 1 1 88 88 ASP H H 88 8.632 8.632 8.665 -0.033 25837 2170 1 7 . 1 1 89 89 ASN N N 89 116.500 116.500 116.473 0.027 25837 2171 1 7 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.756 0.252 25837 2172 1 7 . 1 1 89 89 ASN C C 89 174.505 174.505 176.107 -1.602 25837 2173 1 7 . 1 1 89 89 ASN CA C 89 52.368 52.368 53.976 -1.608 25837 2174 1 7 . 1 1 89 89 ASN CB C 89 39.665 39.665 40.341 -0.676 25837 2175 1 7 . 1 1 89 89 ASN H H 89 8.337 8.337 8.142 0.195 25837 2176 1 7 . 1 1 90 90 VAL N N 90 119.615 119.615 121.441 -1.826 25837 2177 1 7 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.916 0.726 25837 2178 1 7 . 1 1 90 90 VAL C C 90 174.451 174.451 175.381 -0.930 25837 2179 1 7 . 1 1 90 90 VAL CA C 90 61.441 61.441 63.152 -1.711 25837 2180 1 7 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.355 0.949 25837 2181 1 7 . 1 1 90 90 VAL H H 90 7.349 7.349 7.694 -0.345 25837 2182 1 7 . 1 1 91 91 ASP N N 91 128.142 128.142 124.952 3.190 25837 2183 1 7 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.492 -0.135 25837 2184 1 7 . 1 1 91 91 ASP C C 91 177.475 177.475 177.110 0.365 25837 2185 1 7 . 1 1 91 91 ASP CA C 91 55.283 55.283 54.876 0.407 25837 2186 1 7 . 1 1 91 91 ASP CB C 91 42.154 42.154 42.226 -0.072 25837 2187 1 7 . 1 1 91 91 ASP H H 91 8.512 8.512 8.299 0.213 25837 2188 1 7 . 1 1 92 92 SER N N 92 122.911 122.911 122.563 0.348 25837 2189 1 7 . 1 1 92 92 SER HA H 92 3.903 3.903 4.177 -0.274 25837 2190 1 7 . 1 1 92 92 SER C C 92 176.603 176.603 175.962 0.641 25837 2191 1 7 . 1 1 92 92 SER CA C 92 61.686 61.686 61.485 0.201 25837 2192 1 7 . 1 1 92 92 SER CB C 92 62.551 62.551 63.187 -0.636 25837 2193 1 7 . 1 1 92 92 SER H H 92 8.854 8.854 8.844 0.010 25837 2194 1 7 . 1 1 93 93 THR N N 93 118.505 118.505 118.569 -0.064 25837 2195 1 7 . 1 1 93 93 THR HA H 93 3.938 3.938 3.978 -0.040 25837 2196 1 7 . 1 1 93 93 THR C C 93 176.521 176.521 176.157 0.364 25837 2197 1 7 . 1 1 93 93 THR CA C 93 66.072 66.072 66.427 -0.355 25837 2198 1 7 . 1 1 93 93 THR CB C 93 68.129 68.129 68.950 -0.821 25837 2199 1 7 . 1 1 93 93 THR H H 93 8.580 8.580 7.761 0.819 25837 2200 1 7 . 1 1 94 94 LEU N N 94 120.120 120.120 121.245 -1.125 25837 2201 1 7 . 1 1 94 94 LEU HA H 94 4.044 4.044 4.187 -0.143 25837 2202 1 7 . 1 1 94 94 LEU C C 94 180.362 180.362 178.796 1.566 25837 2203 1 7 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.847 -0.634 25837 2204 1 7 . 1 1 94 94 LEU CB C 94 41.687 41.687 40.906 0.781 25837 2205 1 7 . 1 1 94 94 LEU H H 94 7.415 7.415 8.643 -1.228 25837 2206 1 7 . 1 1 95 95 VAL N N 95 120.455 120.455 120.359 0.096 25837 2207 1 7 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.384 -0.286 25837 2208 1 7 . 1 1 95 95 VAL C C 95 177.338 177.338 177.171 0.167 25837 2209 1 7 . 1 1 95 95 VAL CA C 95 66.726 66.726 65.933 0.793 25837 2210 1 7 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.477 -0.109 25837 2211 1 7 . 1 1 95 95 VAL H H 95 7.151 7.151 8.187 -1.036 25837 2212 1 7 . 1 1 96 96 LEU N N 96 120.561 120.561 120.129 0.432 25837 2213 1 7 . 1 1 96 96 LEU HA H 96 4.055 4.055 4.016 0.039 25837 2214 1 7 . 1 1 96 96 LEU C C 96 179.245 179.245 177.644 1.601 25837 2215 1 7 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.490 0.570 25837 2216 1 7 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.730 -0.400 25837 2217 1 7 . 1 1 96 96 LEU H H 96 7.900 7.900 7.681 0.219 25837 2218 1 7 . 1 1 97 97 LEU N N 97 118.021 118.021 117.388 0.633 25837 2219 1 7 . 1 1 97 97 LEU HA H 97 4.045 4.045 3.940 0.105 25837 2220 1 7 . 1 1 97 97 LEU C C 97 179.409 179.409 177.955 1.454 25837 2221 1 7 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.379 0.269 25837 2222 1 7 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.480 0.190 25837 2223 1 7 . 1 1 97 97 LEU H H 97 7.610 7.610 7.483 0.127 25837 2224 1 7 . 1 1 98 98 TYR N N 98 120.085 120.085 118.265 1.820 25837 2225 1 7 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.282 0.009 25837 2226 1 7 . 1 1 98 98 TYR C C 98 177.910 177.910 177.528 0.382 25837 2227 1 7 . 1 1 98 98 TYR CA C 98 60.678 60.678 60.473 0.205 25837 2228 1 7 . 1 1 98 98 TYR CB C 98 37.798 37.798 40.169 -2.371 25837 2229 1 7 . 1 1 98 98 TYR H H 98 7.486 7.486 7.530 -0.044 25837 2230 1 7 . 1 1 99 99 GLN N N 99 119.291 119.291 117.292 1.999 25837 2231 1 7 . 1 1 99 99 GLN HA H 99 3.768 3.768 3.940 -0.172 25837 2232 1 7 . 1 1 99 99 GLN C C 99 178.210 178.210 177.459 0.751 25837 2233 1 7 . 1 1 99 99 GLN CA C 99 58.090 58.090 58.581 -0.491 25837 2234 1 7 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.693 -0.298 25837 2235 1 7 . 1 1 99 99 GLN H H 99 8.486 8.486 7.850 0.636 25837 2236 1 7 . 1 1 100 100 GLN N N 100 116.903 116.903 115.081 1.822 25837 2237 1 7 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.150 -0.031 25837 2238 1 7 . 1 1 100 100 GLN C C 100 176.603 176.603 177.255 -0.652 25837 2239 1 7 . 1 1 100 100 GLN CA C 100 57.163 57.163 56.929 0.234 25837 2240 1 7 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.869 -0.335 25837 2241 1 7 . 1 1 100 100 GLN H H 100 8.028 8.028 7.827 0.201 25837 2242 1 7 . 1 1 101 101 GLN N N 101 117.138 117.138 116.437 0.701 25837 2243 1 7 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.195 0.061 25837 2244 1 7 . 1 1 101 101 GLN C C 101 175.786 175.786 176.570 -0.784 25837 2245 1 7 . 1 1 101 101 GLN CA C 101 55.719 55.719 55.883 -0.164 25837 2246 1 7 . 1 1 101 101 GLN CB C 101 28.965 28.965 29.380 -0.415 25837 2247 1 7 . 1 1 101 101 GLN H H 101 7.518 7.518 7.363 0.155 25837 2248 1 7 . 1 1 102 102 GLN N N 102 120.384 120.384 118.798 1.586 25837 2249 1 7 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.258 0.182 25837 2250 1 7 . 1 1 102 102 GLN CA C 102 53.431 53.431 53.755 -0.324 25837 2251 1 7 . 1 1 102 102 GLN CB C 102 27.980 27.980 28.410 -0.430 25837 2252 1 7 . 1 1 102 102 GLN H H 102 7.689 7.689 7.282 0.407 25837 2253 1 7 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.424 -0.032 25837 2254 1 7 . 1 1 103 103 PRO C C 103 176.875 176.875 175.939 0.936 25837 2255 1 7 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.357 -0.247 25837 2256 1 7 . 1 1 103 103 PRO CB C 103 31.883 31.883 31.263 0.620 25837 2257 1 7 . 1 1 104 104 MET N N 104 120.498 120.498 123.405 -2.907 25837 2258 1 7 . 1 1 104 104 MET HA H 104 4.429 4.429 4.165 0.264 25837 2259 1 7 . 1 1 104 104 MET C C 104 175.786 175.786 175.599 0.187 25837 2260 1 7 . 1 1 104 104 MET CA C 104 55.365 55.365 57.900 -2.535 25837 2261 1 7 . 1 1 104 104 MET CB C 104 32.682 32.682 33.053 -0.371 25837 2262 1 7 . 1 1 104 104 MET H H 104 8.461 8.461 7.977 0.484 25837 2263 1 7 . 1 1 105 105 ASN N N 105 120.052 120.052 117.426 2.626 25837 2264 1 7 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.791 -0.068 25837 2265 1 7 . 1 1 105 105 ASN C C 105 173.933 173.933 174.132 -0.199 25837 2266 1 7 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.337 -0.015 25837 2267 1 7 . 1 1 105 105 ASN CB C 105 38.974 38.974 38.278 0.696 25837 2268 1 7 . 1 1 105 105 ASN H H 105 8.439 8.439 8.149 0.290 25837 2269 1 8 . 1 1 50 50 LEU N N 50 121.638 121.638 125.272 -3.634 25837 2270 1 8 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.366 -0.146 25837 2271 1 8 . 1 1 50 50 LEU C C 50 177.393 177.393 177.081 0.312 25837 2272 1 8 . 1 1 50 50 LEU CA C 50 55.098 55.098 54.891 0.207 25837 2273 1 8 . 1 1 50 50 LEU CB C 50 42.293 42.293 42.432 -0.139 25837 2274 1 8 . 1 1 50 50 LEU H H 50 8.002 8.002 8.364 -0.362 25837 2275 1 8 . 1 1 51 51 GLU N N 51 120.898 120.898 123.748 -2.850 25837 2276 1 8 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.124 -0.020 25837 2277 1 8 . 1 1 51 51 GLU C C 51 175.840 175.840 176.562 -0.722 25837 2278 1 8 . 1 1 51 51 GLU CA C 51 56.564 56.564 57.505 -0.941 25837 2279 1 8 . 1 1 51 51 GLU CB C 51 29.821 29.821 29.985 -0.164 25837 2280 1 8 . 1 1 51 51 GLU H H 51 8.544 8.544 8.802 -0.258 25837 2281 1 8 . 1 1 52 52 TYR N N 52 118.796 118.796 118.675 0.121 25837 2282 1 8 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.624 -0.172 25837 2283 1 8 . 1 1 52 52 TYR C C 52 174.723 174.723 175.446 -0.723 25837 2284 1 8 . 1 1 52 52 TYR CA C 52 57.109 57.109 56.913 0.196 25837 2285 1 8 . 1 1 52 52 TYR CB C 52 38.430 38.430 39.346 -0.916 25837 2286 1 8 . 1 1 52 52 TYR H H 52 7.787 7.787 7.682 0.105 25837 2287 1 8 . 1 1 53 53 ALA N N 53 125.078 125.078 123.558 1.520 25837 2288 1 8 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.374 -0.032 25837 2289 1 8 . 1 1 53 53 ALA C C 53 176.467 176.467 176.378 0.089 25837 2290 1 8 . 1 1 53 53 ALA CA C 53 51.932 51.932 52.484 -0.552 25837 2291 1 8 . 1 1 53 53 ALA CB C 53 20.153 20.153 19.288 0.865 25837 2292 1 8 . 1 1 53 53 ALA H H 53 7.848 7.848 8.426 -0.578 25837 2293 1 8 . 1 1 54 54 VAL N N 54 120.277 120.277 121.606 -1.329 25837 2294 1 8 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.430 0.018 25837 2295 1 8 . 1 1 54 54 VAL C C 54 175.867 175.867 175.530 0.337 25837 2296 1 8 . 1 1 54 54 VAL CA C 54 61.333 61.333 61.164 0.169 25837 2297 1 8 . 1 1 54 54 VAL CB C 54 33.990 33.990 34.608 -0.618 25837 2298 1 8 . 1 1 54 54 VAL H H 54 8.622 8.622 8.407 0.215 25837 2299 1 8 . 1 1 55 55 ALA N N 55 131.772 131.772 129.766 2.006 25837 2300 1 8 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.456 0.349 25837 2301 1 8 . 1 1 55 55 ALA C C 55 175.758 175.758 177.212 -1.454 25837 2302 1 8 . 1 1 55 55 ALA CA C 55 52.831 52.831 52.160 0.671 25837 2303 1 8 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.838 1.223 25837 2304 1 8 . 1 1 55 55 ALA H H 55 8.973 8.973 8.456 0.517 25837 2305 1 8 . 1 1 56 56 GLU N N 56 123.274 123.274 125.195 -1.921 25837 2306 1 8 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.252 -0.009 25837 2307 1 8 . 1 1 56 56 GLU C C 56 176.058 176.058 176.721 -0.663 25837 2308 1 8 . 1 1 56 56 GLU CA C 56 57.245 57.245 57.994 -0.749 25837 2309 1 8 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.703 1.356 25837 2310 1 8 . 1 1 56 56 GLU H H 56 9.357 9.357 8.749 0.608 25837 2311 1 8 . 1 1 57 57 SER N N 57 108.822 108.822 110.573 -1.751 25837 2312 1 8 . 1 1 57 57 SER HA H 57 4.406 4.406 4.530 -0.124 25837 2313 1 8 . 1 1 57 57 SER C C 57 171.400 171.400 172.099 -0.699 25837 2314 1 8 . 1 1 57 57 SER CA C 57 57.463 57.463 57.359 0.104 25837 2315 1 8 . 1 1 57 57 SER CB C 57 64.855 64.855 66.894 -2.039 25837 2316 1 8 . 1 1 57 57 SER H H 57 7.646 7.646 7.493 0.153 25837 2317 1 8 . 1 1 58 58 VAL N N 58 121.411 121.411 121.786 -0.375 25837 2318 1 8 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.388 0.053 25837 2319 1 8 . 1 1 58 58 VAL C C 58 175.731 175.731 175.270 0.461 25837 2320 1 8 . 1 1 58 58 VAL CA C 58 61.133 61.133 61.885 -0.752 25837 2321 1 8 . 1 1 58 58 VAL CB C 58 32.958 32.958 32.436 0.522 25837 2322 1 8 . 1 1 58 58 VAL H H 58 8.566 8.566 8.691 -0.125 25837 2323 1 8 . 1 1 59 59 ILE N N 59 116.198 116.198 119.916 -3.718 25837 2324 1 8 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.686 -0.044 25837 2325 1 8 . 1 1 59 59 ILE C C 59 175.568 175.568 174.668 0.900 25837 2326 1 8 . 1 1 59 59 ILE CA C 59 60.514 60.514 59.694 0.820 25837 2327 1 8 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.081 0.446 25837 2328 1 8 . 1 1 59 59 ILE H H 59 8.840 8.840 8.218 0.622 25837 2329 1 8 . 1 1 60 60 GLY N N 60 110.098 110.098 108.911 1.187 25837 2330 1 8 . 1 1 60 60 GLY C C 60 170.392 170.392 171.976 -1.584 25837 2331 1 8 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.511 1.264 25837 2332 1 8 . 1 1 60 60 GLY H H 60 6.985 6.985 7.368 -0.383 25837 2333 1 8 . 1 1 61 61 LYS N N 61 121.033 121.033 122.748 -1.715 25837 2334 1 8 . 1 1 61 61 LYS HA H 61 5.398 5.398 4.866 0.532 25837 2335 1 8 . 1 1 61 61 LYS C C 61 173.879 173.879 175.354 -1.475 25837 2336 1 8 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.905 0.114 25837 2337 1 8 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.154 1.815 25837 2338 1 8 . 1 1 61 61 LYS H H 61 8.677 8.677 8.718 -0.041 25837 2339 1 8 . 1 1 62 62 ARG N N 62 124.198 124.198 127.671 -3.473 25837 2340 1 8 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.669 0.008 25837 2341 1 8 . 1 1 62 62 ARG C C 62 172.626 172.626 174.738 -2.112 25837 2342 1 8 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.425 0.987 25837 2343 1 8 . 1 1 62 62 ARG CB C 62 32.405 32.405 30.892 1.514 25837 2344 1 8 . 1 1 62 62 ARG H H 62 9.334 9.334 9.138 0.196 25837 2345 1 8 . 1 1 63 63 VAL N N 63 119.879 119.879 124.864 -4.985 25837 2346 1 8 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.045 0.283 25837 2347 1 8 . 1 1 63 63 VAL C C 63 176.576 176.576 176.196 0.380 25837 2348 1 8 . 1 1 63 63 VAL CA C 63 61.550 61.550 61.804 -0.254 25837 2349 1 8 . 1 1 63 63 VAL CB C 63 32.198 32.198 32.360 -0.162 25837 2350 1 8 . 1 1 63 63 VAL H H 63 8.093 8.093 8.415 -0.322 25837 2351 1 8 . 1 1 64 64 GLY N N 64 113.318 113.318 115.815 -2.497 25837 2352 1 8 . 1 1 64 64 GLY C C 64 174.669 174.669 175.399 -0.730 25837 2353 1 8 . 1 1 64 64 GLY CA C 64 44.277 44.277 44.935 -0.658 25837 2354 1 8 . 1 1 64 64 GLY H H 64 9.036 9.036 8.182 0.854 25837 2355 1 8 . 1 1 65 65 ASP N N 65 120.277 120.277 124.219 -3.942 25837 2356 1 8 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.427 -0.215 25837 2357 1 8 . 1 1 65 65 ASP C C 65 176.576 176.576 176.700 -0.124 25837 2358 1 8 . 1 1 65 65 ASP CA C 65 56.508 56.508 56.266 0.242 25837 2359 1 8 . 1 1 65 65 ASP CB C 65 40.080 40.080 40.965 -0.885 25837 2360 1 8 . 1 1 65 65 ASP H H 65 8.676 8.676 8.822 -0.146 25837 2361 1 8 . 1 1 66 66 ASP N N 66 116.944 116.944 117.860 -0.916 25837 2362 1 8 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.707 -0.346 25837 2363 1 8 . 1 1 66 66 ASP C C 66 177.502 177.502 176.103 1.399 25837 2364 1 8 . 1 1 66 66 ASP CA C 66 53.703 53.703 53.620 0.083 25837 2365 1 8 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.710 -1.045 25837 2366 1 8 . 1 1 66 66 ASP H H 66 8.102 8.102 7.978 0.124 25837 2367 1 8 . 1 1 67 67 GLY N N 67 108.288 108.288 107.248 1.040 25837 2368 1 8 . 1 1 67 67 GLY C C 67 177.938 177.938 173.949 3.989 25837 2369 1 8 . 1 1 67 67 GLY CA C 67 45.716 45.716 45.114 0.602 25837 2370 1 8 . 1 1 67 67 GLY H H 67 8.268 8.268 7.784 0.484 25837 2371 1 8 . 1 1 68 68 LYS N N 68 119.172 119.172 119.332 -0.160 25837 2372 1 8 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.365 0.062 25837 2373 1 8 . 1 1 68 68 LYS C C 68 175.786 175.786 176.731 -0.945 25837 2374 1 8 . 1 1 68 68 LYS CA C 68 57.027 57.027 55.557 1.470 25837 2375 1 8 . 1 1 68 68 LYS CB C 68 35.793 35.793 33.256 2.537 25837 2376 1 8 . 1 1 68 68 LYS H H 68 8.483 8.483 7.769 0.714 25837 2377 1 8 . 1 1 69 69 THR N N 69 122.302 122.302 115.661 6.641 25837 2378 1 8 . 1 1 69 69 THR HA H 69 4.035 4.035 4.158 -0.123 25837 2379 1 8 . 1 1 69 69 THR C C 69 173.279 173.279 174.542 -1.263 25837 2380 1 8 . 1 1 69 69 THR CA C 69 64.029 64.029 63.035 0.994 25837 2381 1 8 . 1 1 69 69 THR CB C 69 68.428 68.428 69.182 -0.754 25837 2382 1 8 . 1 1 69 69 THR H H 69 9.858 9.858 8.255 1.603 25837 2383 1 8 . 1 1 70 70 ILE N N 70 128.434 128.434 127.285 1.149 25837 2384 1 8 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.318 0.035 25837 2385 1 8 . 1 1 70 70 ILE C C 70 174.805 174.805 175.108 -0.303 25837 2386 1 8 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.608 -1.502 25837 2387 1 8 . 1 1 70 70 ILE CB C 70 37.453 37.453 38.329 -0.876 25837 2388 1 8 . 1 1 70 70 ILE H H 70 8.371 8.371 8.405 -0.034 25837 2389 1 8 . 1 1 71 71 GLU N N 71 125.034 125.034 124.473 0.561 25837 2390 1 8 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.822 0.214 25837 2391 1 8 . 1 1 71 71 GLU C C 71 174.315 174.315 174.889 -0.574 25837 2392 1 8 . 1 1 71 71 GLU CA C 71 53.513 53.513 54.797 -1.284 25837 2393 1 8 . 1 1 71 71 GLU CB C 71 34.341 34.341 34.281 0.060 25837 2394 1 8 . 1 1 71 71 GLU H H 71 8.709 8.709 8.408 0.301 25837 2395 1 8 . 1 1 72 72 TYR N N 72 117.954 117.954 119.912 -1.958 25837 2396 1 8 . 1 1 72 72 TYR HA H 72 5.219 5.219 4.977 0.242 25837 2397 1 8 . 1 1 72 72 TYR C C 72 173.198 173.198 174.484 -1.286 25837 2398 1 8 . 1 1 72 72 TYR CA C 72 56.537 56.537 57.557 -1.020 25837 2399 1 8 . 1 1 72 72 TYR CB C 72 41.809 41.809 41.699 0.110 25837 2400 1 8 . 1 1 72 72 TYR H H 72 9.301 9.301 9.334 -0.033 25837 2401 1 8 . 1 1 73 73 LEU N N 73 127.621 127.621 125.151 2.470 25837 2402 1 8 . 1 1 73 73 LEU HA H 73 3.630 3.630 3.985 -0.355 25837 2403 1 8 . 1 1 73 73 LEU C C 73 173.960 173.960 174.673 -0.713 25837 2404 1 8 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.374 -0.461 25837 2405 1 8 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.577 -2.631 25837 2406 1 8 . 1 1 73 73 LEU H H 73 7.464 7.464 8.621 -1.157 25837 2407 1 8 . 1 1 74 74 VAL N N 74 129.811 129.811 128.314 1.497 25837 2408 1 8 . 1 1 74 74 VAL HA H 74 3.975 3.975 4.214 -0.239 25837 2409 1 8 . 1 1 74 74 VAL C C 74 173.960 173.960 174.343 -0.383 25837 2410 1 8 . 1 1 74 74 VAL CA C 74 62.013 62.013 61.176 0.837 25837 2411 1 8 . 1 1 74 74 VAL CB C 74 33.650 33.650 33.298 0.352 25837 2412 1 8 . 1 1 74 74 VAL H H 74 9.114 9.114 8.610 0.504 25837 2413 1 8 . 1 1 75 75 LYS N N 75 124.830 124.830 128.336 -3.506 25837 2414 1 8 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.531 -0.217 25837 2415 1 8 . 1 1 75 75 LYS C C 75 175.105 175.105 174.952 0.153 25837 2416 1 8 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.153 0.068 25837 2417 1 8 . 1 1 75 75 LYS CB C 75 33.511 33.511 32.280 1.231 25837 2418 1 8 . 1 1 75 75 LYS H H 75 8.239 8.239 8.791 -0.552 25837 2419 1 8 . 1 1 76 76 TRP N N 76 129.121 129.121 126.596 2.525 25837 2420 1 8 . 1 1 76 76 TRP HA H 76 4.855 4.855 4.986 -0.131 25837 2421 1 8 . 1 1 76 76 TRP C C 76 177.148 177.148 177.339 -0.191 25837 2422 1 8 . 1 1 76 76 TRP CA C 76 55.856 55.856 57.016 -1.160 25837 2423 1 8 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.278 1.159 25837 2424 1 8 . 1 1 76 76 TRP H H 76 9.097 9.097 8.283 0.814 25837 2425 1 8 . 1 1 77 77 THR N N 77 117.433 117.433 115.965 1.468 25837 2426 1 8 . 1 1 77 77 THR HA H 77 4.106 4.106 4.144 -0.038 25837 2427 1 8 . 1 1 77 77 THR C C 77 174.996 174.996 175.491 -0.495 25837 2428 1 8 . 1 1 77 77 THR CA C 77 64.410 64.410 64.003 0.407 25837 2429 1 8 . 1 1 77 77 THR CB C 77 69.516 69.516 69.296 0.220 25837 2430 1 8 . 1 1 77 77 THR H H 77 9.012 9.012 8.761 0.251 25837 2431 1 8 . 1 1 78 78 ASP N N 78 119.514 119.514 120.645 -1.131 25837 2432 1 8 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.542 -0.113 25837 2433 1 8 . 1 1 78 78 ASP C C 78 174.996 174.996 176.999 -2.003 25837 2434 1 8 . 1 1 78 78 ASP CA C 78 54.957 54.957 56.851 -1.894 25837 2435 1 8 . 1 1 78 78 ASP CB C 78 40.082 40.082 41.395 -1.313 25837 2436 1 8 . 1 1 78 78 ASP H H 78 8.805 8.805 8.215 0.590 25837 2437 1 8 . 1 1 79 79 MET N N 79 115.174 115.174 114.870 0.304 25837 2438 1 8 . 1 1 79 79 MET HA H 79 4.750 4.750 4.579 0.171 25837 2439 1 8 . 1 1 79 79 MET C C 79 175.350 175.350 174.990 0.360 25837 2440 1 8 . 1 1 79 79 MET CA C 79 55.038 55.038 57.579 -2.541 25837 2441 1 8 . 1 1 79 79 MET CB C 79 34.134 34.134 34.528 -0.394 25837 2442 1 8 . 1 1 79 79 MET H H 79 7.648 7.648 9.076 -1.428 25837 2443 1 8 . 1 1 80 80 SER N N 80 110.575 110.575 114.371 -3.796 25837 2444 1 8 . 1 1 80 80 SER HA H 80 4.291 4.291 4.590 -0.299 25837 2445 1 8 . 1 1 80 80 SER C C 80 174.342 174.342 175.006 -0.664 25837 2446 1 8 . 1 1 80 80 SER CA C 80 60.200 60.200 57.619 2.581 25837 2447 1 8 . 1 1 80 80 SER CB C 80 63.500 63.500 63.298 0.202 25837 2448 1 8 . 1 1 80 80 SER H H 80 8.065 8.065 8.407 -0.342 25837 2449 1 8 . 1 1 81 81 ASP N N 81 120.165 120.165 121.846 -1.681 25837 2450 1 8 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.571 0.128 25837 2451 1 8 . 1 1 81 81 ASP C C 81 175.568 175.568 175.376 0.192 25837 2452 1 8 . 1 1 81 81 ASP CA C 81 54.303 54.303 54.715 -0.411 25837 2453 1 8 . 1 1 81 81 ASP CB C 81 41.186 41.186 40.496 0.690 25837 2454 1 8 . 1 1 81 81 ASP H H 81 8.101 8.101 8.338 -0.237 25837 2455 1 8 . 1 1 82 82 ALA N N 82 127.921 127.921 122.055 5.866 25837 2456 1 8 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.861 0.178 25837 2457 1 8 . 1 1 82 82 ALA C C 82 177.584 177.584 177.127 0.457 25837 2458 1 8 . 1 1 82 82 ALA CA C 82 51.905 51.905 52.480 -0.576 25837 2459 1 8 . 1 1 82 82 ALA CB C 82 19.752 19.752 18.344 1.408 25837 2460 1 8 . 1 1 82 82 ALA H H 82 8.461 8.461 7.691 0.770 25837 2461 1 8 . 1 1 83 83 THR N N 83 111.593 111.593 117.032 -5.439 25837 2462 1 8 . 1 1 83 83 THR HA H 83 4.666 4.666 4.628 0.038 25837 2463 1 8 . 1 1 83 83 THR C C 83 173.116 173.116 174.054 -0.938 25837 2464 1 8 . 1 1 83 83 THR CA C 83 59.588 59.588 59.629 -0.041 25837 2465 1 8 . 1 1 83 83 THR CB C 83 70.919 70.919 71.077 -0.158 25837 2466 1 8 . 1 1 83 83 THR H H 83 8.613 8.613 7.889 0.724 25837 2467 1 8 . 1 1 84 84 TRP N N 84 123.175 123.175 126.757 -3.582 25837 2468 1 8 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.266 -0.333 25837 2469 1 8 . 1 1 84 84 TRP C C 84 176.930 176.930 175.926 1.004 25837 2470 1 8 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.625 -0.116 25837 2471 1 8 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.578 -0.009 25837 2472 1 8 . 1 1 84 84 TRP H H 84 8.525 8.525 8.825 -0.300 25837 2473 1 8 . 1 1 85 85 GLU N N 85 125.264 125.264 123.776 1.488 25837 2474 1 8 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.031 0.143 25837 2475 1 8 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.181 -1.167 25837 2476 1 8 . 1 1 85 85 GLU CB C 85 32.336 32.336 31.828 0.508 25837 2477 1 8 . 1 1 85 85 GLU H H 85 9.790 9.790 9.330 0.460 25837 2478 1 8 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.687 0.016 25837 2479 1 8 . 1 1 86 86 PRO C C 86 178.210 178.210 178.147 0.063 25837 2480 1 8 . 1 1 86 86 PRO CA C 86 62.676 62.676 63.163 -0.487 25837 2481 1 8 . 1 1 86 86 PRO CB C 86 32.373 32.373 32.975 -0.602 25837 2482 1 8 . 1 1 87 87 GLN N N 87 118.980 118.980 121.849 -2.869 25837 2483 1 8 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.052 0.028 25837 2484 1 8 . 1 1 87 87 GLN C C 87 176.385 176.385 176.495 -0.110 25837 2485 1 8 . 1 1 87 87 GLN CA C 87 59.642 59.642 59.397 0.245 25837 2486 1 8 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.150 0.798 25837 2487 1 8 . 1 1 87 87 GLN H H 87 8.525 8.525 8.902 -0.377 25837 2488 1 8 . 1 1 88 88 ASP N N 88 116.080 116.080 114.754 1.326 25837 2489 1 8 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.483 0.056 25837 2490 1 8 . 1 1 88 88 ASP C C 88 176.303 176.303 176.463 -0.160 25837 2491 1 8 . 1 1 88 88 ASP CA C 88 55.910 55.910 55.177 0.733 25837 2492 1 8 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.315 -0.372 25837 2493 1 8 . 1 1 88 88 ASP H H 88 8.632 8.632 8.383 0.249 25837 2494 1 8 . 1 1 89 89 ASN N N 89 116.500 116.500 117.441 -0.941 25837 2495 1 8 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.769 0.239 25837 2496 1 8 . 1 1 89 89 ASN C C 89 174.505 174.505 175.977 -1.472 25837 2497 1 8 . 1 1 89 89 ASN CA C 89 52.368 52.368 54.132 -1.764 25837 2498 1 8 . 1 1 89 89 ASN CB C 89 39.665 39.665 40.092 -0.427 25837 2499 1 8 . 1 1 89 89 ASN H H 89 8.337 8.337 8.018 0.319 25837 2500 1 8 . 1 1 90 90 VAL N N 90 119.615 119.615 121.241 -1.626 25837 2501 1 8 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.973 0.669 25837 2502 1 8 . 1 1 90 90 VAL C C 90 174.451 174.451 175.728 -1.277 25837 2503 1 8 . 1 1 90 90 VAL CA C 90 61.441 61.441 63.269 -1.828 25837 2504 1 8 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.226 1.078 25837 2505 1 8 . 1 1 90 90 VAL H H 90 7.349 7.349 7.789 -0.440 25837 2506 1 8 . 1 1 91 91 ASP N N 91 128.142 128.142 127.174 0.968 25837 2507 1 8 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.437 -0.080 25837 2508 1 8 . 1 1 91 91 ASP C C 91 177.475 177.475 177.188 0.287 25837 2509 1 8 . 1 1 91 91 ASP CA C 91 55.283 55.283 55.313 -0.030 25837 2510 1 8 . 1 1 91 91 ASP CB C 91 42.154 42.154 42.009 0.145 25837 2511 1 8 . 1 1 91 91 ASP H H 91 8.512 8.512 8.377 0.135 25837 2512 1 8 . 1 1 92 92 SER N N 92 122.911 122.911 122.325 0.586 25837 2513 1 8 . 1 1 92 92 SER HA H 92 3.903 3.903 4.179 -0.276 25837 2514 1 8 . 1 1 92 92 SER C C 92 176.603 176.603 176.148 0.455 25837 2515 1 8 . 1 1 92 92 SER CA C 92 61.686 61.686 60.825 0.861 25837 2516 1 8 . 1 1 92 92 SER CB C 92 62.551 62.551 63.210 -0.659 25837 2517 1 8 . 1 1 92 92 SER H H 92 8.854 8.854 8.858 -0.004 25837 2518 1 8 . 1 1 93 93 THR N N 93 118.505 118.505 119.793 -1.288 25837 2519 1 8 . 1 1 93 93 THR HA H 93 3.938 3.938 3.992 -0.054 25837 2520 1 8 . 1 1 93 93 THR C C 93 176.521 176.521 176.569 -0.048 25837 2521 1 8 . 1 1 93 93 THR CA C 93 66.072 66.072 66.447 -0.375 25837 2522 1 8 . 1 1 93 93 THR CB C 93 68.129 68.129 68.720 -0.591 25837 2523 1 8 . 1 1 93 93 THR H H 93 8.580 8.580 7.676 0.904 25837 2524 1 8 . 1 1 94 94 LEU N N 94 120.120 120.120 121.957 -1.837 25837 2525 1 8 . 1 1 94 94 LEU HA H 94 4.044 4.044 3.891 0.153 25837 2526 1 8 . 1 1 94 94 LEU C C 94 180.362 180.362 178.641 1.721 25837 2527 1 8 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.927 -0.714 25837 2528 1 8 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.316 0.371 25837 2529 1 8 . 1 1 94 94 LEU H H 94 7.415 7.415 8.908 -1.493 25837 2530 1 8 . 1 1 95 95 VAL N N 95 120.455 120.455 119.041 1.414 25837 2531 1 8 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.448 -0.350 25837 2532 1 8 . 1 1 95 95 VAL C C 95 177.338 177.338 178.001 -0.663 25837 2533 1 8 . 1 1 95 95 VAL CA C 95 66.726 66.726 66.243 0.483 25837 2534 1 8 . 1 1 95 95 VAL CB C 95 31.368 31.368 30.635 0.733 25837 2535 1 8 . 1 1 95 95 VAL H H 95 7.151 7.151 8.074 -0.923 25837 2536 1 8 . 1 1 96 96 LEU N N 96 120.561 120.561 120.382 0.179 25837 2537 1 8 . 1 1 96 96 LEU HA H 96 4.055 4.055 4.031 0.024 25837 2538 1 8 . 1 1 96 96 LEU C C 96 179.245 179.245 178.560 0.685 25837 2539 1 8 . 1 1 96 96 LEU CA C 96 58.060 58.060 58.361 -0.301 25837 2540 1 8 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.043 0.287 25837 2541 1 8 . 1 1 96 96 LEU H H 96 7.900 7.900 8.069 -0.169 25837 2542 1 8 . 1 1 97 97 LEU N N 97 118.021 118.021 115.901 2.120 25837 2543 1 8 . 1 1 97 97 LEU HA H 97 4.045 4.045 4.006 0.039 25837 2544 1 8 . 1 1 97 97 LEU C C 97 179.409 179.409 178.240 1.169 25837 2545 1 8 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.180 0.468 25837 2546 1 8 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.381 0.289 25837 2547 1 8 . 1 1 97 97 LEU H H 97 7.610 7.610 7.312 0.298 25837 2548 1 8 . 1 1 98 98 TYR N N 98 120.085 120.085 119.108 0.977 25837 2549 1 8 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.247 0.044 25837 2550 1 8 . 1 1 98 98 TYR C C 98 177.910 177.910 178.152 -0.242 25837 2551 1 8 . 1 1 98 98 TYR CA C 98 60.678 60.678 61.024 -0.346 25837 2552 1 8 . 1 1 98 98 TYR CB C 98 37.798 37.798 39.519 -1.721 25837 2553 1 8 . 1 1 98 98 TYR H H 98 7.486 7.486 7.421 0.065 25837 2554 1 8 . 1 1 99 99 GLN N N 99 119.291 119.291 118.017 1.274 25837 2555 1 8 . 1 1 99 99 GLN HA H 99 3.768 3.768 3.896 -0.128 25837 2556 1 8 . 1 1 99 99 GLN C C 99 178.210 178.210 178.672 -0.462 25837 2557 1 8 . 1 1 99 99 GLN CA C 99 58.090 58.090 58.996 -0.906 25837 2558 1 8 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.523 -0.128 25837 2559 1 8 . 1 1 99 99 GLN H H 99 8.486 8.486 8.908 -0.422 25837 2560 1 8 . 1 1 100 100 GLN N N 100 116.903 116.903 116.511 0.392 25837 2561 1 8 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.114 0.005 25837 2562 1 8 . 1 1 100 100 GLN C C 100 176.603 176.603 177.088 -0.485 25837 2563 1 8 . 1 1 100 100 GLN CA C 100 57.163 57.163 57.400 -0.237 25837 2564 1 8 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.159 0.374 25837 2565 1 8 . 1 1 100 100 GLN H H 100 8.028 8.028 7.927 0.101 25837 2566 1 8 . 1 1 101 101 GLN N N 101 117.138 117.138 115.608 1.530 25837 2567 1 8 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.279 -0.023 25837 2568 1 8 . 1 1 101 101 GLN C C 101 175.786 175.786 176.144 -0.358 25837 2569 1 8 . 1 1 101 101 GLN CA C 101 55.719 55.719 55.737 -0.018 25837 2570 1 8 . 1 1 101 101 GLN CB C 101 28.965 28.965 29.336 -0.371 25837 2571 1 8 . 1 1 101 101 GLN H H 101 7.518 7.518 7.398 0.120 25837 2572 1 8 . 1 1 102 102 GLN N N 102 120.384 120.384 120.023 0.361 25837 2573 1 8 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.515 -0.075 25837 2574 1 8 . 1 1 102 102 GLN CA C 102 53.431 53.431 52.918 0.513 25837 2575 1 8 . 1 1 102 102 GLN CB C 102 27.980 27.980 28.692 -0.713 25837 2576 1 8 . 1 1 102 102 GLN H H 102 7.689 7.689 7.398 0.291 25837 2577 1 8 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.413 -0.021 25837 2578 1 8 . 1 1 103 103 PRO C C 103 176.875 176.875 175.816 1.059 25837 2579 1 8 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.704 -0.594 25837 2580 1 8 . 1 1 103 103 PRO CB C 103 31.883 31.883 31.718 0.165 25837 2581 1 8 . 1 1 104 104 MET N N 104 120.498 120.498 124.727 -4.229 25837 2582 1 8 . 1 1 104 104 MET HA H 104 4.429 4.429 4.485 -0.056 25837 2583 1 8 . 1 1 104 104 MET C C 104 175.786 175.786 175.788 -0.002 25837 2584 1 8 . 1 1 104 104 MET CA C 104 55.365 55.365 55.107 0.258 25837 2585 1 8 . 1 1 104 104 MET CB C 104 32.682 32.682 33.929 -1.247 25837 2586 1 8 . 1 1 104 104 MET H H 104 8.461 8.461 8.391 0.070 25837 2587 1 8 . 1 1 105 105 ASN N N 105 120.052 120.052 120.425 -0.373 25837 2588 1 8 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.426 0.297 25837 2589 1 8 . 1 1 105 105 ASN C C 105 173.933 173.933 174.212 -0.279 25837 2590 1 8 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.988 -0.666 25837 2591 1 8 . 1 1 105 105 ASN CB C 105 38.974 38.974 38.331 0.643 25837 2592 1 8 . 1 1 105 105 ASN H H 105 8.439 8.439 8.509 -0.070 25837 2593 1 9 . 1 1 50 50 LEU N N 50 121.638 121.638 123.957 -2.319 25837 2594 1 9 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.713 -0.493 25837 2595 1 9 . 1 1 50 50 LEU C C 50 177.393 177.393 176.752 0.641 25837 2596 1 9 . 1 1 50 50 LEU CA C 50 55.098 55.098 53.886 1.212 25837 2597 1 9 . 1 1 50 50 LEU CB C 50 42.293 42.293 41.197 1.096 25837 2598 1 9 . 1 1 50 50 LEU H H 50 8.002 8.002 8.402 -0.400 25837 2599 1 9 . 1 1 51 51 GLU N N 51 120.898 120.898 125.628 -4.730 25837 2600 1 9 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.229 -0.125 25837 2601 1 9 . 1 1 51 51 GLU C C 51 175.840 175.840 175.197 0.643 25837 2602 1 9 . 1 1 51 51 GLU CA C 51 56.564 56.564 55.289 1.275 25837 2603 1 9 . 1 1 51 51 GLU CB C 51 29.821 29.821 26.975 2.846 25837 2604 1 9 . 1 1 51 51 GLU H H 51 8.544 8.544 9.032 -0.488 25837 2605 1 9 . 1 1 52 52 TYR N N 52 118.796 118.796 121.224 -2.428 25837 2606 1 9 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.563 -0.111 25837 2607 1 9 . 1 1 52 52 TYR C C 52 174.723 174.723 174.188 0.535 25837 2608 1 9 . 1 1 52 52 TYR CA C 52 57.109 57.109 57.669 -0.560 25837 2609 1 9 . 1 1 52 52 TYR CB C 52 38.430 38.430 38.496 -0.066 25837 2610 1 9 . 1 1 52 52 TYR H H 52 7.787 7.787 8.203 -0.416 25837 2611 1 9 . 1 1 53 53 ALA N N 53 125.078 125.078 125.903 -0.825 25837 2612 1 9 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.815 -0.473 25837 2613 1 9 . 1 1 53 53 ALA C C 53 176.467 176.467 175.505 0.962 25837 2614 1 9 . 1 1 53 53 ALA CA C 53 51.932 51.932 51.012 0.920 25837 2615 1 9 . 1 1 53 53 ALA CB C 53 20.153 20.153 21.897 -1.744 25837 2616 1 9 . 1 1 53 53 ALA H H 53 7.848 7.848 8.167 -0.319 25837 2617 1 9 . 1 1 54 54 VAL N N 54 120.277 120.277 119.675 0.602 25837 2618 1 9 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.432 0.016 25837 2619 1 9 . 1 1 54 54 VAL C C 54 175.867 175.867 175.258 0.609 25837 2620 1 9 . 1 1 54 54 VAL CA C 54 61.333 61.333 60.652 0.681 25837 2621 1 9 . 1 1 54 54 VAL CB C 54 33.990 33.990 35.746 -1.756 25837 2622 1 9 . 1 1 54 54 VAL H H 54 8.622 8.622 8.510 0.112 25837 2623 1 9 . 1 1 55 55 ALA N N 55 131.772 131.772 128.117 3.655 25837 2624 1 9 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.513 0.292 25837 2625 1 9 . 1 1 55 55 ALA C C 55 175.758 175.758 177.249 -1.491 25837 2626 1 9 . 1 1 55 55 ALA CA C 55 52.831 52.831 52.101 0.730 25837 2627 1 9 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.857 1.204 25837 2628 1 9 . 1 1 55 55 ALA H H 55 8.973 8.973 8.309 0.664 25837 2629 1 9 . 1 1 56 56 GLU N N 56 123.274 123.274 125.712 -2.438 25837 2630 1 9 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.115 0.128 25837 2631 1 9 . 1 1 56 56 GLU C C 56 176.058 176.058 176.549 -0.491 25837 2632 1 9 . 1 1 56 56 GLU CA C 56 57.245 57.245 58.368 -1.123 25837 2633 1 9 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.624 1.435 25837 2634 1 9 . 1 1 56 56 GLU H H 56 9.357 9.357 9.017 0.340 25837 2635 1 9 . 1 1 57 57 SER N N 57 108.822 108.822 109.903 -1.081 25837 2636 1 9 . 1 1 57 57 SER HA H 57 4.406 4.406 4.508 -0.102 25837 2637 1 9 . 1 1 57 57 SER C C 57 171.400 171.400 172.039 -0.639 25837 2638 1 9 . 1 1 57 57 SER CA C 57 57.463 57.463 57.683 -0.220 25837 2639 1 9 . 1 1 57 57 SER CB C 57 64.855 64.855 66.648 -1.793 25837 2640 1 9 . 1 1 57 57 SER H H 57 7.646 7.646 7.426 0.220 25837 2641 1 9 . 1 1 58 58 VAL N N 58 121.411 121.411 121.649 -0.238 25837 2642 1 9 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.603 -0.162 25837 2643 1 9 . 1 1 58 58 VAL C C 58 175.731 175.731 175.310 0.421 25837 2644 1 9 . 1 1 58 58 VAL CA C 58 61.133 61.133 61.679 -0.546 25837 2645 1 9 . 1 1 58 58 VAL CB C 58 32.958 32.958 32.745 0.213 25837 2646 1 9 . 1 1 58 58 VAL H H 58 8.566 8.566 8.393 0.173 25837 2647 1 9 . 1 1 59 59 ILE N N 59 116.198 116.198 118.540 -2.342 25837 2648 1 9 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.753 -0.111 25837 2649 1 9 . 1 1 59 59 ILE C C 59 175.568 175.568 174.686 0.882 25837 2650 1 9 . 1 1 59 59 ILE CA C 59 60.514 60.514 59.807 0.707 25837 2651 1 9 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.615 -0.088 25837 2652 1 9 . 1 1 59 59 ILE H H 59 8.840 8.840 8.147 0.693 25837 2653 1 9 . 1 1 60 60 GLY N N 60 110.098 110.098 108.512 1.586 25837 2654 1 9 . 1 1 60 60 GLY C C 60 170.392 170.392 172.058 -1.666 25837 2655 1 9 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.288 1.487 25837 2656 1 9 . 1 1 60 60 GLY H H 60 6.985 6.985 7.178 -0.193 25837 2657 1 9 . 1 1 61 61 LYS N N 61 121.033 121.033 123.119 -2.086 25837 2658 1 9 . 1 1 61 61 LYS HA H 61 5.398 5.398 5.132 0.266 25837 2659 1 9 . 1 1 61 61 LYS C C 61 173.879 173.879 175.467 -1.588 25837 2660 1 9 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.423 0.596 25837 2661 1 9 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.559 1.410 25837 2662 1 9 . 1 1 61 61 LYS H H 61 8.677 8.677 8.694 -0.017 25837 2663 1 9 . 1 1 62 62 ARG N N 62 124.198 124.198 127.449 -3.251 25837 2664 1 9 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.718 -0.041 25837 2665 1 9 . 1 1 62 62 ARG C C 62 172.626 172.626 174.456 -1.830 25837 2666 1 9 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.336 1.076 25837 2667 1 9 . 1 1 62 62 ARG CB C 62 32.405 32.405 31.419 0.986 25837 2668 1 9 . 1 1 62 62 ARG H H 62 9.334 9.334 9.183 0.151 25837 2669 1 9 . 1 1 63 63 VAL N N 63 119.879 119.879 124.879 -5.000 25837 2670 1 9 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.113 0.215 25837 2671 1 9 . 1 1 63 63 VAL C C 63 176.576 176.576 175.779 0.797 25837 2672 1 9 . 1 1 63 63 VAL CA C 63 61.550 61.550 61.797 -0.247 25837 2673 1 9 . 1 1 63 63 VAL CB C 63 32.198 32.198 32.573 -0.375 25837 2674 1 9 . 1 1 63 63 VAL H H 63 8.093 8.093 8.594 -0.501 25837 2675 1 9 . 1 1 64 64 GLY N N 64 113.318 113.318 114.716 -1.398 25837 2676 1 9 . 1 1 64 64 GLY C C 64 174.669 174.669 174.644 0.025 25837 2677 1 9 . 1 1 64 64 GLY CA C 64 44.277 44.277 44.635 -0.358 25837 2678 1 9 . 1 1 64 64 GLY H H 64 9.036 9.036 8.082 0.954 25837 2679 1 9 . 1 1 65 65 ASP N N 65 120.277 120.277 124.510 -4.233 25837 2680 1 9 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.513 -0.301 25837 2681 1 9 . 1 1 65 65 ASP C C 65 176.576 176.576 176.615 -0.039 25837 2682 1 9 . 1 1 65 65 ASP CA C 65 56.508 56.508 55.909 0.599 25837 2683 1 9 . 1 1 65 65 ASP CB C 65 40.080 40.080 41.013 -0.933 25837 2684 1 9 . 1 1 65 65 ASP H H 65 8.676 8.676 8.832 -0.156 25837 2685 1 9 . 1 1 66 66 ASP N N 66 116.944 116.944 118.934 -1.990 25837 2686 1 9 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.593 -0.232 25837 2687 1 9 . 1 1 66 66 ASP C C 66 177.502 177.502 175.966 1.536 25837 2688 1 9 . 1 1 66 66 ASP CA C 66 53.703 53.703 54.050 -0.347 25837 2689 1 9 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.577 -0.912 25837 2690 1 9 . 1 1 66 66 ASP H H 66 8.102 8.102 8.273 -0.171 25837 2691 1 9 . 1 1 67 67 GLY N N 67 108.288 108.288 107.253 1.035 25837 2692 1 9 . 1 1 67 67 GLY C C 67 177.938 177.938 173.844 4.094 25837 2693 1 9 . 1 1 67 67 GLY CA C 67 45.716 45.716 44.793 0.923 25837 2694 1 9 . 1 1 67 67 GLY H H 67 8.268 8.268 7.672 0.596 25837 2695 1 9 . 1 1 68 68 LYS N N 68 119.172 119.172 120.631 -1.459 25837 2696 1 9 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.423 0.004 25837 2697 1 9 . 1 1 68 68 LYS C C 68 175.786 175.786 176.850 -1.064 25837 2698 1 9 . 1 1 68 68 LYS CA C 68 57.027 57.027 55.570 1.457 25837 2699 1 9 . 1 1 68 68 LYS CB C 68 35.793 35.793 33.629 2.164 25837 2700 1 9 . 1 1 68 68 LYS H H 68 8.483 8.483 7.458 1.025 25837 2701 1 9 . 1 1 69 69 THR N N 69 122.302 122.302 118.031 4.271 25837 2702 1 9 . 1 1 69 69 THR HA H 69 4.035 4.035 4.201 -0.166 25837 2703 1 9 . 1 1 69 69 THR C C 69 173.279 173.279 174.155 -0.876 25837 2704 1 9 . 1 1 69 69 THR CA C 69 64.029 64.029 62.796 1.233 25837 2705 1 9 . 1 1 69 69 THR CB C 69 68.428 68.428 69.457 -1.029 25837 2706 1 9 . 1 1 69 69 THR H H 69 9.858 9.858 8.359 1.499 25837 2707 1 9 . 1 1 70 70 ILE N N 70 128.434 128.434 127.265 1.169 25837 2708 1 9 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.198 0.155 25837 2709 1 9 . 1 1 70 70 ILE C C 70 174.805 174.805 175.215 -0.410 25837 2710 1 9 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.580 -1.474 25837 2711 1 9 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.689 -0.236 25837 2712 1 9 . 1 1 70 70 ILE H H 70 8.371 8.371 8.526 -0.155 25837 2713 1 9 . 1 1 71 71 GLU N N 71 125.034 125.034 126.184 -1.150 25837 2714 1 9 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.794 0.242 25837 2715 1 9 . 1 1 71 71 GLU C C 71 174.315 174.315 175.425 -1.110 25837 2716 1 9 . 1 1 71 71 GLU CA C 71 53.513 53.513 54.981 -1.468 25837 2717 1 9 . 1 1 71 71 GLU CB C 71 34.341 34.341 32.819 1.522 25837 2718 1 9 . 1 1 71 71 GLU H H 71 8.709 8.709 8.768 -0.059 25837 2719 1 9 . 1 1 72 72 TYR N N 72 117.954 117.954 119.599 -1.645 25837 2720 1 9 . 1 1 72 72 TYR HA H 72 5.219 5.219 5.153 0.066 25837 2721 1 9 . 1 1 72 72 TYR C C 72 173.198 173.198 174.546 -1.348 25837 2722 1 9 . 1 1 72 72 TYR CA C 72 56.537 56.537 56.406 0.131 25837 2723 1 9 . 1 1 72 72 TYR CB C 72 41.809 41.809 42.473 -0.664 25837 2724 1 9 . 1 1 72 72 TYR H H 72 9.301 9.301 9.484 -0.183 25837 2725 1 9 . 1 1 73 73 LEU N N 73 127.621 127.621 124.234 3.387 25837 2726 1 9 . 1 1 73 73 LEU HA H 73 3.630 3.630 3.982 -0.352 25837 2727 1 9 . 1 1 73 73 LEU C C 73 173.960 173.960 175.052 -1.092 25837 2728 1 9 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.630 -0.717 25837 2729 1 9 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.722 -2.776 25837 2730 1 9 . 1 1 73 73 LEU H H 73 7.464 7.464 8.362 -0.898 25837 2731 1 9 . 1 1 74 74 VAL N N 74 129.811 129.811 127.994 1.817 25837 2732 1 9 . 1 1 74 74 VAL HA H 74 3.975 3.975 4.184 -0.209 25837 2733 1 9 . 1 1 74 74 VAL C C 74 173.960 173.960 175.112 -1.152 25837 2734 1 9 . 1 1 74 74 VAL CA C 74 62.013 62.013 61.469 0.543 25837 2735 1 9 . 1 1 74 74 VAL CB C 74 33.650 33.650 32.716 0.934 25837 2736 1 9 . 1 1 74 74 VAL H H 74 9.114 9.114 9.038 0.076 25837 2737 1 9 . 1 1 75 75 LYS N N 75 124.830 124.830 127.963 -3.133 25837 2738 1 9 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.446 -0.132 25837 2739 1 9 . 1 1 75 75 LYS C C 75 175.105 175.105 175.073 0.032 25837 2740 1 9 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.438 -0.217 25837 2741 1 9 . 1 1 75 75 LYS CB C 75 33.511 33.511 32.090 1.421 25837 2742 1 9 . 1 1 75 75 LYS H H 75 8.239 8.239 8.706 -0.467 25837 2743 1 9 . 1 1 76 76 TRP N N 76 129.121 129.121 125.460 3.661 25837 2744 1 9 . 1 1 76 76 TRP HA H 76 4.855 4.855 5.102 -0.247 25837 2745 1 9 . 1 1 76 76 TRP C C 76 177.148 177.148 177.518 -0.370 25837 2746 1 9 . 1 1 76 76 TRP CA C 76 55.856 55.856 56.784 -0.928 25837 2747 1 9 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.700 0.737 25837 2748 1 9 . 1 1 76 76 TRP H H 76 9.097 9.097 8.624 0.473 25837 2749 1 9 . 1 1 77 77 THR N N 77 117.433 117.433 115.814 1.619 25837 2750 1 9 . 1 1 77 77 THR HA H 77 4.106 4.106 4.249 -0.143 25837 2751 1 9 . 1 1 77 77 THR C C 77 174.996 174.996 175.327 -0.331 25837 2752 1 9 . 1 1 77 77 THR CA C 77 64.410 64.410 63.575 0.835 25837 2753 1 9 . 1 1 77 77 THR CB C 77 69.516 69.516 68.950 0.566 25837 2754 1 9 . 1 1 77 77 THR H H 77 9.012 9.012 8.551 0.461 25837 2755 1 9 . 1 1 78 78 ASP N N 78 119.514 119.514 121.530 -2.016 25837 2756 1 9 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.560 -0.131 25837 2757 1 9 . 1 1 78 78 ASP C C 78 174.996 174.996 176.954 -1.958 25837 2758 1 9 . 1 1 78 78 ASP CA C 78 54.957 54.957 56.880 -1.923 25837 2759 1 9 . 1 1 78 78 ASP CB C 78 40.082 40.082 41.596 -1.514 25837 2760 1 9 . 1 1 78 78 ASP H H 78 8.805 8.805 8.510 0.295 25837 2761 1 9 . 1 1 79 79 MET N N 79 115.174 115.174 115.353 -0.179 25837 2762 1 9 . 1 1 79 79 MET HA H 79 4.750 4.750 4.620 0.130 25837 2763 1 9 . 1 1 79 79 MET C C 79 175.350 175.350 175.304 0.046 25837 2764 1 9 . 1 1 79 79 MET CA C 79 55.038 55.038 56.800 -1.762 25837 2765 1 9 . 1 1 79 79 MET CB C 79 34.134 34.134 34.505 -0.371 25837 2766 1 9 . 1 1 79 79 MET H H 79 7.648 7.648 8.986 -1.338 25837 2767 1 9 . 1 1 80 80 SER N N 80 110.575 110.575 114.410 -3.835 25837 2768 1 9 . 1 1 80 80 SER HA H 80 4.291 4.291 4.538 -0.247 25837 2769 1 9 . 1 1 80 80 SER C C 80 174.342 174.342 175.171 -0.829 25837 2770 1 9 . 1 1 80 80 SER CA C 80 60.200 60.200 57.618 2.582 25837 2771 1 9 . 1 1 80 80 SER CB C 80 63.500 63.500 63.219 0.281 25837 2772 1 9 . 1 1 80 80 SER H H 80 8.065 8.065 8.444 -0.379 25837 2773 1 9 . 1 1 81 81 ASP N N 81 120.165 120.165 122.094 -1.929 25837 2774 1 9 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.537 0.162 25837 2775 1 9 . 1 1 81 81 ASP C C 81 175.568 175.568 175.568 0.000 25837 2776 1 9 . 1 1 81 81 ASP CA C 81 54.303 54.303 53.567 0.736 25837 2777 1 9 . 1 1 81 81 ASP CB C 81 41.186 41.186 39.044 2.142 25837 2778 1 9 . 1 1 81 81 ASP H H 81 8.101 8.101 8.522 -0.421 25837 2779 1 9 . 1 1 82 82 ALA N N 82 127.921 127.921 125.186 2.735 25837 2780 1 9 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.817 0.222 25837 2781 1 9 . 1 1 82 82 ALA C C 82 177.584 177.584 177.129 0.455 25837 2782 1 9 . 1 1 82 82 ALA CA C 82 51.905 51.905 52.714 -0.809 25837 2783 1 9 . 1 1 82 82 ALA CB C 82 19.752 19.752 20.125 -0.373 25837 2784 1 9 . 1 1 82 82 ALA H H 82 8.461 8.461 7.598 0.863 25837 2785 1 9 . 1 1 83 83 THR N N 83 111.593 111.593 114.780 -3.187 25837 2786 1 9 . 1 1 83 83 THR HA H 83 4.666 4.666 4.737 -0.071 25837 2787 1 9 . 1 1 83 83 THR C C 83 173.116 173.116 174.022 -0.906 25837 2788 1 9 . 1 1 83 83 THR CA C 83 59.588 59.588 60.454 -0.866 25837 2789 1 9 . 1 1 83 83 THR CB C 83 70.919 70.919 72.061 -1.141 25837 2790 1 9 . 1 1 83 83 THR H H 83 8.613 8.613 8.552 0.061 25837 2791 1 9 . 1 1 84 84 TRP N N 84 123.175 123.175 125.279 -2.104 25837 2792 1 9 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.141 -0.208 25837 2793 1 9 . 1 1 84 84 TRP C C 84 176.930 176.930 176.182 0.748 25837 2794 1 9 . 1 1 84 84 TRP CA C 84 56.509 56.509 57.474 -0.965 25837 2795 1 9 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.622 -0.052 25837 2796 1 9 . 1 1 84 84 TRP H H 84 8.525 8.525 8.848 -0.323 25837 2797 1 9 . 1 1 85 85 GLU N N 85 125.264 125.264 124.446 0.818 25837 2798 1 9 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.048 0.126 25837 2799 1 9 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.120 -1.106 25837 2800 1 9 . 1 1 85 85 GLU CB C 85 32.336 32.336 32.587 -0.251 25837 2801 1 9 . 1 1 85 85 GLU H H 85 9.790 9.790 9.408 0.382 25837 2802 1 9 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.882 -0.179 25837 2803 1 9 . 1 1 86 86 PRO C C 86 178.210 178.210 178.177 0.033 25837 2804 1 9 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.470 0.206 25837 2805 1 9 . 1 1 86 86 PRO CB C 86 32.373 32.373 33.379 -1.006 25837 2806 1 9 . 1 1 87 87 GLN N N 87 118.980 118.980 121.302 -2.322 25837 2807 1 9 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.038 0.042 25837 2808 1 9 . 1 1 87 87 GLN C C 87 176.385 176.385 176.337 0.048 25837 2809 1 9 . 1 1 87 87 GLN CA C 87 59.642 59.642 59.289 0.353 25837 2810 1 9 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.046 0.902 25837 2811 1 9 . 1 1 87 87 GLN H H 87 8.525 8.525 8.599 -0.074 25837 2812 1 9 . 1 1 88 88 ASP N N 88 116.080 116.080 117.171 -1.091 25837 2813 1 9 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.531 0.008 25837 2814 1 9 . 1 1 88 88 ASP C C 88 176.303 176.303 176.570 -0.267 25837 2815 1 9 . 1 1 88 88 ASP CA C 88 55.910 55.910 56.008 -0.098 25837 2816 1 9 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.915 -0.973 25837 2817 1 9 . 1 1 88 88 ASP H H 88 8.632 8.632 8.397 0.235 25837 2818 1 9 . 1 1 89 89 ASN N N 89 116.500 116.500 116.712 -0.212 25837 2819 1 9 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.803 0.205 25837 2820 1 9 . 1 1 89 89 ASN C C 89 174.505 174.505 175.908 -1.403 25837 2821 1 9 . 1 1 89 89 ASN CA C 89 52.368 52.368 53.984 -1.616 25837 2822 1 9 . 1 1 89 89 ASN CB C 89 39.665 39.665 41.008 -1.343 25837 2823 1 9 . 1 1 89 89 ASN H H 89 8.337 8.337 8.132 0.205 25837 2824 1 9 . 1 1 90 90 VAL N N 90 119.615 119.615 122.220 -2.605 25837 2825 1 9 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.905 0.737 25837 2826 1 9 . 1 1 90 90 VAL C C 90 174.451 174.451 175.333 -0.882 25837 2827 1 9 . 1 1 90 90 VAL CA C 90 61.441 61.441 63.297 -1.856 25837 2828 1 9 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.233 1.071 25837 2829 1 9 . 1 1 90 90 VAL H H 90 7.349 7.349 7.900 -0.551 25837 2830 1 9 . 1 1 91 91 ASP N N 91 128.142 128.142 126.992 1.150 25837 2831 1 9 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.493 -0.136 25837 2832 1 9 . 1 1 91 91 ASP C C 91 177.475 177.475 177.256 0.219 25837 2833 1 9 . 1 1 91 91 ASP CA C 91 55.283 55.283 54.771 0.512 25837 2834 1 9 . 1 1 91 91 ASP CB C 91 42.154 42.154 42.271 -0.117 25837 2835 1 9 . 1 1 91 91 ASP H H 91 8.512 8.512 8.414 0.098 25837 2836 1 9 . 1 1 92 92 SER N N 92 122.911 122.911 121.580 1.331 25837 2837 1 9 . 1 1 92 92 SER HA H 92 3.903 3.903 4.167 -0.264 25837 2838 1 9 . 1 1 92 92 SER C C 92 176.603 176.603 176.072 0.531 25837 2839 1 9 . 1 1 92 92 SER CA C 92 61.686 61.686 60.741 0.945 25837 2840 1 9 . 1 1 92 92 SER CB C 92 62.551 62.551 62.896 -0.345 25837 2841 1 9 . 1 1 92 92 SER H H 92 8.854 8.854 8.838 0.016 25837 2842 1 9 . 1 1 93 93 THR N N 93 118.505 118.505 118.906 -0.401 25837 2843 1 9 . 1 1 93 93 THR HA H 93 3.938 3.938 4.032 -0.094 25837 2844 1 9 . 1 1 93 93 THR C C 93 176.521 176.521 176.626 -0.105 25837 2845 1 9 . 1 1 93 93 THR CA C 93 66.072 66.072 66.149 -0.077 25837 2846 1 9 . 1 1 93 93 THR CB C 93 68.129 68.129 68.464 -0.335 25837 2847 1 9 . 1 1 93 93 THR H H 93 8.580 8.580 7.542 1.038 25837 2848 1 9 . 1 1 94 94 LEU N N 94 120.120 120.120 121.109 -0.989 25837 2849 1 9 . 1 1 94 94 LEU HA H 94 4.044 4.044 3.995 0.049 25837 2850 1 9 . 1 1 94 94 LEU C C 94 180.362 180.362 178.738 1.624 25837 2851 1 9 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.476 -0.263 25837 2852 1 9 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.398 0.290 25837 2853 1 9 . 1 1 94 94 LEU H H 94 7.415 7.415 8.163 -0.748 25837 2854 1 9 . 1 1 95 95 VAL N N 95 120.455 120.455 119.436 1.019 25837 2855 1 9 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.365 -0.267 25837 2856 1 9 . 1 1 95 95 VAL C C 95 177.338 177.338 177.513 -0.175 25837 2857 1 9 . 1 1 95 95 VAL CA C 95 66.726 66.726 66.734 -0.008 25837 2858 1 9 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.043 0.325 25837 2859 1 9 . 1 1 95 95 VAL H H 95 7.151 7.151 7.796 -0.645 25837 2860 1 9 . 1 1 96 96 LEU N N 96 120.561 120.561 118.594 1.967 25837 2861 1 9 . 1 1 96 96 LEU HA H 96 4.055 4.055 3.952 0.103 25837 2862 1 9 . 1 1 96 96 LEU C C 96 179.245 179.245 178.874 0.371 25837 2863 1 9 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.791 0.269 25837 2864 1 9 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.203 0.127 25837 2865 1 9 . 1 1 96 96 LEU H H 96 7.900 7.900 8.100 -0.200 25837 2866 1 9 . 1 1 97 97 LEU N N 97 118.021 118.021 116.947 1.074 25837 2867 1 9 . 1 1 97 97 LEU HA H 97 4.045 4.045 3.980 0.065 25837 2868 1 9 . 1 1 97 97 LEU C C 97 179.409 179.409 177.955 1.454 25837 2869 1 9 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.146 0.502 25837 2870 1 9 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.490 0.180 25837 2871 1 9 . 1 1 97 97 LEU H H 97 7.610 7.610 7.575 0.035 25837 2872 1 9 . 1 1 98 98 TYR N N 98 120.085 120.085 119.307 0.778 25837 2873 1 9 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.502 -0.211 25837 2874 1 9 . 1 1 98 98 TYR C C 98 177.910 177.910 178.008 -0.098 25837 2875 1 9 . 1 1 98 98 TYR CA C 98 60.678 60.678 60.356 0.322 25837 2876 1 9 . 1 1 98 98 TYR CB C 98 37.798 37.798 39.940 -2.142 25837 2877 1 9 . 1 1 98 98 TYR H H 98 7.486 7.486 7.576 -0.090 25837 2878 1 9 . 1 1 99 99 GLN N N 99 119.291 119.291 117.808 1.483 25837 2879 1 9 . 1 1 99 99 GLN HA H 99 3.768 3.768 3.928 -0.160 25837 2880 1 9 . 1 1 99 99 GLN C C 99 178.210 178.210 178.646 -0.436 25837 2881 1 9 . 1 1 99 99 GLN CA C 99 58.090 58.090 59.081 -0.991 25837 2882 1 9 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.487 -0.092 25837 2883 1 9 . 1 1 99 99 GLN H H 99 8.486 8.486 8.817 -0.331 25837 2884 1 9 . 1 1 100 100 GLN N N 100 116.903 116.903 115.949 0.954 25837 2885 1 9 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.139 -0.020 25837 2886 1 9 . 1 1 100 100 GLN C C 100 176.603 176.603 177.163 -0.560 25837 2887 1 9 . 1 1 100 100 GLN CA C 100 57.163 57.163 57.299 -0.136 25837 2888 1 9 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.494 0.039 25837 2889 1 9 . 1 1 100 100 GLN H H 100 8.028 8.028 8.017 0.011 25837 2890 1 9 . 1 1 101 101 GLN N N 101 117.138 117.138 113.136 4.002 25837 2891 1 9 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.397 -0.141 25837 2892 1 9 . 1 1 101 101 GLN C C 101 175.786 175.786 175.697 0.089 25837 2893 1 9 . 1 1 101 101 GLN CA C 101 55.719 55.719 55.259 0.460 25837 2894 1 9 . 1 1 101 101 GLN CB C 101 28.965 28.965 29.033 -0.068 25837 2895 1 9 . 1 1 101 101 GLN H H 101 7.518 7.518 7.510 0.008 25837 2896 1 9 . 1 1 102 102 GLN N N 102 120.384 120.384 122.095 -1.711 25837 2897 1 9 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.449 -0.009 25837 2898 1 9 . 1 1 102 102 GLN CA C 102 53.431 53.431 52.329 1.102 25837 2899 1 9 . 1 1 102 102 GLN CB C 102 27.980 27.980 29.270 -1.290 25837 2900 1 9 . 1 1 102 102 GLN H H 102 7.689 7.689 7.251 0.438 25837 2901 1 9 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.430 -0.038 25837 2902 1 9 . 1 1 103 103 PRO C C 103 176.875 176.875 176.429 0.446 25837 2903 1 9 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.050 0.060 25837 2904 1 9 . 1 1 103 103 PRO CB C 103 31.883 31.883 32.202 -0.319 25837 2905 1 9 . 1 1 104 104 MET N N 104 120.498 120.498 127.039 -6.541 25837 2906 1 9 . 1 1 104 104 MET HA H 104 4.429 4.429 4.504 -0.075 25837 2907 1 9 . 1 1 104 104 MET C C 104 175.786 175.786 174.921 0.865 25837 2908 1 9 . 1 1 104 104 MET CA C 104 55.365 55.365 55.057 0.308 25837 2909 1 9 . 1 1 104 104 MET CB C 104 32.682 32.682 31.114 1.567 25837 2910 1 9 . 1 1 104 104 MET H H 104 8.461 8.461 8.732 -0.271 25837 2911 1 9 . 1 1 105 105 ASN N N 105 120.052 120.052 122.347 -2.295 25837 2912 1 9 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.884 -0.161 25837 2913 1 9 . 1 1 105 105 ASN C C 105 173.933 173.933 174.407 -0.474 25837 2914 1 9 . 1 1 105 105 ASN CA C 105 53.322 53.322 52.965 0.357 25837 2915 1 9 . 1 1 105 105 ASN CB C 105 38.974 38.974 38.417 0.557 25837 2916 1 9 . 1 1 105 105 ASN H H 105 8.439 8.439 8.152 0.287 25837 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 54 2.568 0.686 2.498 25837 2 1 1 "Average Difference" HA 59 0.255 0.007 0.257 25837 3 1 1 "Average Difference" C 54 1.095 0.172 1.092 25837 4 1 1 "Average Difference" CA 56 0.906 0.170 0.898 25837 5 1 1 "Average Difference" CB 53 1.031 -0.160 1.028 25837 6 1 1 "Average Difference" HN 54 0.481 -0.129 0.468 25837 7 1 2 "Average Difference" N 54 2.601 0.629 2.548 25837 8 1 2 "Average Difference" HA 59 0.231 0.001 0.233 25837 9 1 2 "Average Difference" C 54 1.087 0.245 1.069 25837 10 1 2 "Average Difference" CA 56 0.883 0.279 0.845 25837 11 1 2 "Average Difference" CB 53 1.003 -0.189 0.995 25837 12 1 2 "Average Difference" HN 54 0.482 -0.114 0.473 25837 13 1 3 "Average Difference" N 54 2.508 0.535 2.473 25837 14 1 3 "Average Difference" HA 59 0.259 0.020 0.260 25837 15 1 3 "Average Difference" C 54 1.026 0.128 1.027 25837 16 1 3 "Average Difference" CA 56 0.905 0.145 0.901 25837 17 1 3 "Average Difference" CB 53 1.079 -0.059 1.088 25837 18 1 3 "Average Difference" HN 54 0.493 -0.068 0.493 25837 19 1 4 "Average Difference" N 54 2.623 0.544 2.590 25837 20 1 4 "Average Difference" HA 59 0.234 -0.007 0.235 25837 21 1 4 "Average Difference" C 54 1.079 0.192 1.072 25837 22 1 4 "Average Difference" CA 56 0.869 0.175 0.859 25837 23 1 4 "Average Difference" CB 53 1.111 -0.122 1.115 25837 24 1 4 "Average Difference" HN 54 0.514 -0.079 0.513 25837 25 1 5 "Average Difference" N 54 2.323 0.327 2.322 25837 26 1 5 "Average Difference" HA 59 0.249 -0.004 0.251 25837 27 1 5 "Average Difference" C 54 1.069 0.182 1.064 25837 28 1 5 "Average Difference" CA 56 0.905 0.159 0.899 25837 29 1 5 "Average Difference" CB 53 1.163 -0.141 1.166 25837 30 1 5 "Average Difference" HN 54 0.542 -0.096 0.538 25837 31 1 6 "Average Difference" N 54 2.620 0.687 2.552 25837 32 1 6 "Average Difference" HA 59 0.276 0.026 0.277 25837 33 1 6 "Average Difference" C 54 1.091 0.110 1.095 25837 34 1 6 "Average Difference" CA 56 0.815 0.132 0.812 25837 35 1 6 "Average Difference" CB 53 1.262 -0.081 1.272 25837 36 1 6 "Average Difference" HN 54 0.464 -0.069 0.464 25837 37 1 7 "Average Difference" N 54 2.626 0.754 2.539 25837 38 1 7 "Average Difference" HA 59 0.243 -0.027 0.243 25837 39 1 7 "Average Difference" C 54 1.101 0.093 1.107 25837 40 1 7 "Average Difference" CA 56 0.901 0.220 0.882 25837 41 1 7 "Average Difference" CB 53 1.108 -0.204 1.100 25837 42 1 7 "Average Difference" HN 54 0.525 -0.129 0.514 25837 43 1 8 "Average Difference" N 54 2.513 0.492 2.488 25837 44 1 8 "Average Difference" HA 59 0.218 0.002 0.220 25837 45 1 8 "Average Difference" C 54 1.023 0.188 1.015 25837 46 1 8 "Average Difference" CA 56 0.921 0.160 0.915 25837 47 1 8 "Average Difference" CB 53 0.969 -0.041 0.977 25837 48 1 8 "Average Difference" HN 54 0.570 -0.055 0.573 25837 49 1 9 "Average Difference" N 54 2.487 0.612 2.434 25837 50 1 9 "Average Difference" HA 59 0.231 0.048 0.228 25837 51 1 9 "Average Difference" C 54 1.040 0.102 1.045 25837 52 1 9 "Average Difference" CA 56 0.955 -0.044 0.963 25837 53 1 9 "Average Difference" CB 53 1.157 0.002 1.168 25837 54 1 9 "Average Difference" HN 54 0.517 -0.030 0.521 25837 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 25837 _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 50 50 LEU N N 50 121.638 121.638 122.650 -1.012 25837 2 1 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.462 -0.242 25837 3 1 . 1 1 50 50 LEU C C 50 177.393 177.393 176.753 0.640 25837 4 1 . 1 1 50 50 LEU CA C 50 55.098 55.098 54.890 0.208 25837 5 1 . 1 1 50 50 LEU CB C 50 42.293 42.293 41.830 0.463 25837 6 1 . 1 1 50 50 LEU H H 50 8.002 8.002 8.425 -0.423 25837 7 1 . 1 1 51 51 GLU N N 51 120.898 120.898 119.943 0.955 25837 8 1 . 1 1 51 51 GLU HA H 51 4.104 4.104 4.124 -0.020 25837 9 1 . 1 1 51 51 GLU C C 51 175.840 175.840 175.943 -0.103 25837 10 1 . 1 1 51 51 GLU CA C 51 56.564 56.564 56.798 -0.234 25837 11 1 . 1 1 51 51 GLU CB C 51 29.821 29.821 29.293 0.528 25837 12 1 . 1 1 51 51 GLU H H 51 8.544 8.544 8.333 0.211 25837 13 1 . 1 1 52 52 TYR N N 52 118.796 118.796 119.026 -0.230 25837 14 1 . 1 1 52 52 TYR HA H 52 4.452 4.452 4.485 -0.033 25837 15 1 . 1 1 52 52 TYR C C 52 174.723 174.723 174.630 0.093 25837 16 1 . 1 1 52 52 TYR CA C 52 57.109 57.109 57.349 -0.240 25837 17 1 . 1 1 52 52 TYR CB C 52 38.430 38.430 38.964 -0.534 25837 18 1 . 1 1 52 52 TYR H H 52 7.787 7.787 7.765 0.022 25837 19 1 . 1 1 53 53 ALA N N 53 125.078 125.078 123.352 1.726 25837 20 1 . 1 1 53 53 ALA HA H 53 4.342 4.342 4.540 -0.198 25837 21 1 . 1 1 53 53 ALA C C 53 176.467 176.467 176.198 0.269 25837 22 1 . 1 1 53 53 ALA CA C 53 51.932 51.932 52.165 -0.233 25837 23 1 . 1 1 53 53 ALA CB C 53 20.153 20.153 19.910 0.243 25837 24 1 . 1 1 53 53 ALA H H 53 7.848 7.848 8.406 -0.558 25837 25 1 . 1 1 54 54 VAL N N 54 120.277 120.277 122.002 -1.725 25837 26 1 . 1 1 54 54 VAL HA H 54 4.448 4.448 4.415 0.033 25837 27 1 . 1 1 54 54 VAL C C 54 175.867 175.867 175.282 0.585 25837 28 1 . 1 1 54 54 VAL CA C 54 61.333 61.333 61.037 0.296 25837 29 1 . 1 1 54 54 VAL CB C 54 33.990 33.990 34.125 -0.134 25837 30 1 . 1 1 54 54 VAL H H 54 8.622 8.622 8.483 0.139 25837 31 1 . 1 1 55 55 ALA N N 55 131.772 131.772 130.661 1.111 25837 32 1 . 1 1 55 55 ALA HA H 55 3.805 3.805 3.586 0.219 25837 33 1 . 1 1 55 55 ALA C C 55 175.758 175.758 177.108 -1.350 25837 34 1 . 1 1 55 55 ALA CA C 55 52.831 52.831 52.200 0.631 25837 35 1 . 1 1 55 55 ALA CB C 55 19.061 19.061 17.858 1.203 25837 36 1 . 1 1 55 55 ALA H H 55 8.973 8.973 8.635 0.338 25837 37 1 . 1 1 56 56 GLU N N 56 123.274 123.274 125.327 -2.053 25837 38 1 . 1 1 56 56 GLU HA H 56 4.243 4.243 4.210 0.033 25837 39 1 . 1 1 56 56 GLU C C 56 176.058 176.058 176.565 -0.507 25837 40 1 . 1 1 56 56 GLU CA C 56 57.245 57.245 57.969 -0.724 25837 41 1 . 1 1 56 56 GLU CB C 56 32.059 32.059 30.635 1.424 25837 42 1 . 1 1 56 56 GLU H H 56 9.357 9.357 8.792 0.565 25837 43 1 . 1 1 57 57 SER N N 57 108.822 108.822 110.475 -1.653 25837 44 1 . 1 1 57 57 SER HA H 57 4.406 4.406 4.544 -0.138 25837 45 1 . 1 1 57 57 SER C C 57 171.400 171.400 172.065 -0.665 25837 46 1 . 1 1 57 57 SER CA C 57 57.463 57.463 57.451 0.012 25837 47 1 . 1 1 57 57 SER CB C 57 64.855 64.855 66.600 -1.745 25837 48 1 . 1 1 57 57 SER H H 57 7.646 7.646 7.565 0.081 25837 49 1 . 1 1 58 58 VAL N N 58 121.411 121.411 121.560 -0.149 25837 50 1 . 1 1 58 58 VAL HA H 58 4.441 4.441 4.413 0.028 25837 51 1 . 1 1 58 58 VAL C C 58 175.731 175.731 175.388 0.343 25837 52 1 . 1 1 58 58 VAL CA C 58 61.133 61.133 61.831 -0.698 25837 53 1 . 1 1 58 58 VAL CB C 58 32.958 32.958 32.761 0.197 25837 54 1 . 1 1 58 58 VAL H H 58 8.566 8.566 8.561 0.005 25837 55 1 . 1 1 59 59 ILE N N 59 116.198 116.198 119.198 -3.000 25837 56 1 . 1 1 59 59 ILE HA H 59 4.642 4.642 4.635 0.008 25837 57 1 . 1 1 59 59 ILE C C 59 175.568 175.568 174.798 0.770 25837 58 1 . 1 1 59 59 ILE CA C 59 60.514 60.514 59.827 0.687 25837 59 1 . 1 1 59 59 ILE CB C 59 39.527 39.527 39.517 0.010 25837 60 1 . 1 1 59 59 ILE H H 59 8.840 8.840 8.321 0.519 25837 61 1 . 1 1 60 60 GLY N N 60 110.098 110.098 108.720 1.378 25837 62 1 . 1 1 60 60 GLY C C 60 170.392 170.392 172.017 -1.625 25837 63 1 . 1 1 60 60 GLY CA C 60 45.775 45.775 44.438 1.337 25837 64 1 . 1 1 60 60 GLY H H 60 6.985 6.985 7.198 -0.213 25837 65 1 . 1 1 61 61 LYS N N 61 121.033 121.033 122.590 -1.557 25837 66 1 . 1 1 61 61 LYS HA H 61 5.398 5.398 4.914 0.484 25837 67 1 . 1 1 61 61 LYS C C 61 173.879 173.879 175.273 -1.394 25837 68 1 . 1 1 61 61 LYS CA C 61 56.019 56.019 55.710 0.309 25837 69 1 . 1 1 61 61 LYS CB C 61 36.969 36.969 35.543 1.426 25837 70 1 . 1 1 61 61 LYS H H 61 8.677 8.677 8.708 -0.031 25837 71 1 . 1 1 62 62 ARG N N 62 124.198 124.198 127.033 -2.835 25837 72 1 . 1 1 62 62 ARG HA H 62 4.677 4.677 4.679 -0.002 25837 73 1 . 1 1 62 62 ARG C C 62 172.626 172.626 174.268 -1.642 25837 74 1 . 1 1 62 62 ARG CA C 62 54.412 54.412 53.686 0.726 25837 75 1 . 1 1 62 62 ARG CB C 62 32.405 32.405 31.844 0.561 25837 76 1 . 1 1 62 62 ARG H H 62 9.334 9.334 9.121 0.213 25837 77 1 . 1 1 63 63 VAL N N 63 119.879 119.879 124.361 -4.482 25837 78 1 . 1 1 63 63 VAL HA H 63 4.328 4.328 4.133 0.195 25837 79 1 . 1 1 63 63 VAL C C 63 176.576 176.576 175.537 1.039 25837 80 1 . 1 1 63 63 VAL CA C 63 61.550 61.550 61.217 0.333 25837 81 1 . 1 1 63 63 VAL CB C 63 32.198 32.198 33.223 -1.025 25837 82 1 . 1 1 63 63 VAL H H 63 8.093 8.093 8.513 -0.420 25837 83 1 . 1 1 64 64 GLY N N 64 113.318 113.318 115.471 -2.153 25837 84 1 . 1 1 64 64 GLY C C 64 174.669 174.669 174.704 -0.035 25837 85 1 . 1 1 64 64 GLY CA C 64 44.277 44.277 44.841 -0.564 25837 86 1 . 1 1 64 64 GLY H H 64 9.036 9.036 8.104 0.932 25837 87 1 . 1 1 65 65 ASP N N 65 120.277 120.277 124.247 -3.970 25837 88 1 . 1 1 65 65 ASP HA H 65 4.212 4.212 4.471 -0.259 25837 89 1 . 1 1 65 65 ASP C C 65 176.576 176.576 176.736 -0.160 25837 90 1 . 1 1 65 65 ASP CA C 65 56.508 56.508 56.022 0.486 25837 91 1 . 1 1 65 65 ASP CB C 65 40.080 40.080 41.011 -0.930 25837 92 1 . 1 1 65 65 ASP H H 65 8.676 8.676 8.673 0.003 25837 93 1 . 1 1 66 66 ASP N N 66 116.944 116.944 118.395 -1.451 25837 94 1 . 1 1 66 66 ASP HA H 66 4.361 4.361 4.612 -0.251 25837 95 1 . 1 1 66 66 ASP C C 66 177.502 177.502 176.352 1.150 25837 96 1 . 1 1 66 66 ASP CA C 66 53.703 53.703 53.847 -0.144 25837 97 1 . 1 1 66 66 ASP CB C 66 39.665 39.665 40.527 -0.862 25837 98 1 . 1 1 66 66 ASP H H 66 8.102 8.102 8.191 -0.089 25837 99 1 . 1 1 67 67 GLY N N 67 108.288 108.288 107.532 0.756 25837 100 1 . 1 1 67 67 GLY C C 67 177.938 177.938 173.914 4.024 25837 101 1 . 1 1 67 67 GLY CA C 67 45.716 45.716 44.915 0.801 25837 102 1 . 1 1 67 67 GLY H H 67 8.268 8.268 7.687 0.581 25837 103 1 . 1 1 68 68 LYS N N 68 119.172 119.172 120.615 -1.443 25837 104 1 . 1 1 68 68 LYS HA H 68 4.427 4.427 4.331 0.096 25837 105 1 . 1 1 68 68 LYS C C 68 175.786 175.786 176.761 -0.975 25837 106 1 . 1 1 68 68 LYS CA C 68 57.027 57.027 55.878 1.149 25837 107 1 . 1 1 68 68 LYS CB C 68 35.793 35.793 33.071 2.722 25837 108 1 . 1 1 68 68 LYS H H 68 8.483 8.483 7.726 0.757 25837 109 1 . 1 1 69 69 THR N N 69 122.302 122.302 118.357 3.945 25837 110 1 . 1 1 69 69 THR HA H 69 4.035 4.035 4.193 -0.158 25837 111 1 . 1 1 69 69 THR C C 69 173.279 173.279 174.453 -1.174 25837 112 1 . 1 1 69 69 THR CA C 69 64.029 64.029 63.420 0.609 25837 113 1 . 1 1 69 69 THR CB C 69 68.428 68.428 69.294 -0.866 25837 114 1 . 1 1 69 69 THR H H 69 9.858 9.858 8.331 1.527 25837 115 1 . 1 1 70 70 ILE N N 70 128.434 128.434 127.702 0.732 25837 116 1 . 1 1 70 70 ILE HA H 70 4.353 4.353 4.235 0.118 25837 117 1 . 1 1 70 70 ILE C C 70 174.805 174.805 175.176 -0.371 25837 118 1 . 1 1 70 70 ILE CA C 70 60.106 60.106 61.672 -1.566 25837 119 1 . 1 1 70 70 ILE CB C 70 37.453 37.453 37.600 -0.147 25837 120 1 . 1 1 70 70 ILE H H 70 8.371 8.371 8.485 -0.114 25837 121 1 . 1 1 71 71 GLU N N 71 125.034 125.034 126.230 -1.196 25837 122 1 . 1 1 71 71 GLU HA H 71 5.036 5.036 4.866 0.170 25837 123 1 . 1 1 71 71 GLU C C 71 174.315 174.315 175.257 -0.942 25837 124 1 . 1 1 71 71 GLU CA C 71 53.513 53.513 54.953 -1.440 25837 125 1 . 1 1 71 71 GLU CB C 71 34.341 34.341 33.088 1.253 25837 126 1 . 1 1 71 71 GLU H H 71 8.709 8.709 8.574 0.135 25837 127 1 . 1 1 72 72 TYR N N 72 117.954 117.954 120.839 -2.885 25837 128 1 . 1 1 72 72 TYR HA H 72 5.219 5.219 5.039 0.180 25837 129 1 . 1 1 72 72 TYR C C 72 173.198 173.198 174.668 -1.470 25837 130 1 . 1 1 72 72 TYR CA C 72 56.537 56.537 56.917 -0.380 25837 131 1 . 1 1 72 72 TYR CB C 72 41.809 41.809 41.802 0.007 25837 132 1 . 1 1 72 72 TYR H H 72 9.301 9.301 9.449 -0.148 25837 133 1 . 1 1 73 73 LEU N N 73 127.621 127.621 125.182 2.439 25837 134 1 . 1 1 73 73 LEU HA H 73 3.630 3.630 3.957 -0.327 25837 135 1 . 1 1 73 73 LEU C C 73 173.960 173.960 174.949 -0.989 25837 136 1 . 1 1 73 73 LEU CA C 73 52.913 52.913 53.811 -0.898 25837 137 1 . 1 1 73 73 LEU CB C 73 38.946 38.946 41.404 -2.458 25837 138 1 . 1 1 73 73 LEU H H 73 7.464 7.464 8.243 -0.779 25837 139 1 . 1 1 74 74 VAL N N 74 129.811 129.811 127.769 2.042 25837 140 1 . 1 1 74 74 VAL HA H 74 3.975 3.975 4.040 -0.065 25837 141 1 . 1 1 74 74 VAL C C 74 173.960 173.960 174.791 -0.831 25837 142 1 . 1 1 74 74 VAL CA C 74 62.013 62.013 61.574 0.439 25837 143 1 . 1 1 74 74 VAL CB C 74 33.650 33.650 32.465 1.185 25837 144 1 . 1 1 74 74 VAL H H 74 9.114 9.114 8.449 0.665 25837 145 1 . 1 1 75 75 LYS N N 75 124.830 124.830 128.308 -3.478 25837 146 1 . 1 1 75 75 LYS HA H 75 4.314 4.314 4.482 -0.168 25837 147 1 . 1 1 75 75 LYS C C 75 175.105 175.105 175.316 -0.211 25837 148 1 . 1 1 75 75 LYS CA C 75 54.221 54.221 54.672 -0.451 25837 149 1 . 1 1 75 75 LYS CB C 75 33.511 33.511 32.307 1.204 25837 150 1 . 1 1 75 75 LYS H H 75 8.239 8.239 8.668 -0.429 25837 151 1 . 1 1 76 76 TRP N N 76 129.121 129.121 126.619 2.502 25837 152 1 . 1 1 76 76 TRP HA H 76 4.855 4.855 5.029 -0.174 25837 153 1 . 1 1 76 76 TRP C C 76 177.148 177.148 177.685 -0.537 25837 154 1 . 1 1 76 76 TRP CA C 76 55.856 55.856 56.882 -1.026 25837 155 1 . 1 1 76 76 TRP CB C 76 31.437 31.437 30.396 1.041 25837 156 1 . 1 1 76 76 TRP H H 76 9.097 9.097 8.499 0.598 25837 157 1 . 1 1 77 77 THR N N 77 117.433 117.433 116.638 0.795 25837 158 1 . 1 1 77 77 THR HA H 77 4.106 4.106 4.217 -0.111 25837 159 1 . 1 1 77 77 THR C C 77 174.996 174.996 175.569 -0.573 25837 160 1 . 1 1 77 77 THR CA C 77 64.410 64.410 64.768 -0.358 25837 161 1 . 1 1 77 77 THR CB C 77 69.516 69.516 68.984 0.532 25837 162 1 . 1 1 77 77 THR H H 77 9.012 9.012 8.824 0.188 25837 163 1 . 1 1 78 78 ASP N N 78 119.514 119.514 120.558 -1.044 25837 164 1 . 1 1 78 78 ASP HA H 78 4.429 4.429 4.659 -0.230 25837 165 1 . 1 1 78 78 ASP C C 78 174.996 174.996 176.842 -1.846 25837 166 1 . 1 1 78 78 ASP CA C 78 54.957 54.957 55.961 -1.004 25837 167 1 . 1 1 78 78 ASP CB C 78 40.082 40.082 40.843 -0.761 25837 168 1 . 1 1 78 78 ASP H H 78 8.805 8.805 8.633 0.172 25837 169 1 . 1 1 79 79 MET N N 79 115.174 115.174 118.222 -3.048 25837 170 1 . 1 1 79 79 MET HA H 79 4.750 4.750 4.562 0.188 25837 171 1 . 1 1 79 79 MET C C 79 175.350 175.350 175.969 -0.619 25837 172 1 . 1 1 79 79 MET CA C 79 55.038 55.038 55.839 -0.801 25837 173 1 . 1 1 79 79 MET CB C 79 34.134 34.134 32.190 1.943 25837 174 1 . 1 1 79 79 MET H H 79 7.648 7.648 8.266 -0.618 25837 175 1 . 1 1 80 80 SER N N 80 110.575 110.575 115.828 -5.253 25837 176 1 . 1 1 80 80 SER HA H 80 4.291 4.291 4.353 -0.062 25837 177 1 . 1 1 80 80 SER C C 80 174.342 174.342 175.539 -1.197 25837 178 1 . 1 1 80 80 SER CA C 80 60.200 60.200 60.183 0.017 25837 179 1 . 1 1 80 80 SER CB C 80 63.500 63.500 63.066 0.434 25837 180 1 . 1 1 80 80 SER H H 80 8.065 8.065 8.051 0.014 25837 181 1 . 1 1 81 81 ASP N N 81 120.165 120.165 121.564 -1.399 25837 182 1 . 1 1 81 81 ASP HA H 81 4.699 4.699 4.625 0.074 25837 183 1 . 1 1 81 81 ASP C C 81 175.568 175.568 175.222 0.346 25837 184 1 . 1 1 81 81 ASP CA C 81 54.303 54.303 53.637 0.667 25837 185 1 . 1 1 81 81 ASP CB C 81 41.186 41.186 39.818 1.368 25837 186 1 . 1 1 81 81 ASP H H 81 8.101 8.101 8.294 -0.193 25837 187 1 . 1 1 82 82 ALA N N 82 127.921 127.921 123.239 4.682 25837 188 1 . 1 1 82 82 ALA HA H 82 5.039 5.039 4.418 0.621 25837 189 1 . 1 1 82 82 ALA C C 82 177.584 177.584 177.077 0.507 25837 190 1 . 1 1 82 82 ALA CA C 82 51.905 51.905 53.189 -1.284 25837 191 1 . 1 1 82 82 ALA CB C 82 19.752 19.752 19.602 0.150 25837 192 1 . 1 1 82 82 ALA H H 82 8.461 8.461 7.737 0.724 25837 193 1 . 1 1 83 83 THR N N 83 111.593 111.593 116.023 -4.430 25837 194 1 . 1 1 83 83 THR HA H 83 4.666 4.666 4.682 -0.016 25837 195 1 . 1 1 83 83 THR C C 83 173.116 173.116 173.806 -0.690 25837 196 1 . 1 1 83 83 THR CA C 83 59.588 59.588 60.146 -0.558 25837 197 1 . 1 1 83 83 THR CB C 83 70.919 70.919 71.237 -0.318 25837 198 1 . 1 1 83 83 THR H H 83 8.613 8.613 8.171 0.442 25837 199 1 . 1 1 84 84 TRP N N 84 123.175 123.175 126.425 -3.250 25837 200 1 . 1 1 84 84 TRP HA H 84 4.933 4.933 5.119 -0.186 25837 201 1 . 1 1 84 84 TRP C C 84 176.930 176.930 175.997 0.933 25837 202 1 . 1 1 84 84 TRP CA C 84 56.509 56.509 56.726 -0.217 25837 203 1 . 1 1 84 84 TRP CB C 84 29.570 29.570 29.495 0.075 25837 204 1 . 1 1 84 84 TRP H H 84 8.525 8.525 8.852 -0.327 25837 205 1 . 1 1 85 85 GLU N N 85 125.264 125.264 124.063 1.201 25837 206 1 . 1 1 85 85 GLU HA H 85 5.174 5.174 5.018 0.156 25837 207 1 . 1 1 85 85 GLU CA C 85 52.014 52.014 53.226 -1.212 25837 208 1 . 1 1 85 85 GLU CB C 85 32.336 32.336 31.754 0.582 25837 209 1 . 1 1 85 85 GLU H H 85 9.790 9.790 9.298 0.492 25837 210 1 . 1 1 86 86 PRO HA H 86 4.703 4.703 4.838 -0.135 25837 211 1 . 1 1 86 86 PRO C C 86 178.210 178.210 178.230 -0.020 25837 212 1 . 1 1 86 86 PRO CA C 86 62.676 62.676 62.853 -0.177 25837 213 1 . 1 1 86 86 PRO CB C 86 32.373 32.373 33.070 -0.697 25837 214 1 . 1 1 87 87 GLN N N 87 118.980 118.980 122.738 -3.758 25837 215 1 . 1 1 87 87 GLN HA H 87 4.080 4.080 4.029 0.051 25837 216 1 . 1 1 87 87 GLN C C 87 176.385 176.385 176.791 -0.406 25837 217 1 . 1 1 87 87 GLN CA C 87 59.642 59.642 59.364 0.278 25837 218 1 . 1 1 87 87 GLN CB C 87 28.948 28.948 28.222 0.726 25837 219 1 . 1 1 87 87 GLN H H 87 8.525 8.525 8.650 -0.125 25837 220 1 . 1 1 88 88 ASP N N 88 116.080 116.080 116.583 -0.503 25837 221 1 . 1 1 88 88 ASP HA H 88 4.539 4.539 4.494 0.045 25837 222 1 . 1 1 88 88 ASP C C 88 176.303 176.303 176.906 -0.603 25837 223 1 . 1 1 88 88 ASP CA C 88 55.910 55.910 56.122 -0.212 25837 224 1 . 1 1 88 88 ASP CB C 88 39.942 39.942 40.589 -0.646 25837 225 1 . 1 1 88 88 ASP H H 88 8.632 8.632 8.493 0.139 25837 226 1 . 1 1 89 89 ASN N N 89 116.500 116.500 116.546 -0.046 25837 227 1 . 1 1 89 89 ASN HA H 89 5.008 5.008 4.771 0.237 25837 228 1 . 1 1 89 89 ASN C C 89 174.505 174.505 176.016 -1.511 25837 229 1 . 1 1 89 89 ASN CA C 89 52.368 52.368 54.062 -1.694 25837 230 1 . 1 1 89 89 ASN CB C 89 39.665 39.665 40.205 -0.540 25837 231 1 . 1 1 89 89 ASN H H 89 8.337 8.337 8.021 0.316 25837 232 1 . 1 1 90 90 VAL N N 90 119.615 119.615 121.535 -1.920 25837 233 1 . 1 1 90 90 VAL HA H 90 4.642 4.642 3.921 0.721 25837 234 1 . 1 1 90 90 VAL C C 90 174.451 174.451 175.396 -0.945 25837 235 1 . 1 1 90 90 VAL CA C 90 61.441 61.441 63.166 -1.725 25837 236 1 . 1 1 90 90 VAL CB C 90 33.304 33.304 32.216 1.088 25837 237 1 . 1 1 90 90 VAL H H 90 7.349 7.349 7.798 -0.449 25837 238 1 . 1 1 91 91 ASP N N 91 128.142 128.142 125.842 2.300 25837 239 1 . 1 1 91 91 ASP HA H 91 4.357 4.357 4.469 -0.112 25837 240 1 . 1 1 91 91 ASP C C 91 177.475 177.475 177.124 0.351 25837 241 1 . 1 1 91 91 ASP CA C 91 55.283 55.283 54.860 0.423 25837 242 1 . 1 1 91 91 ASP CB C 91 42.154 42.154 42.005 0.149 25837 243 1 . 1 1 91 91 ASP H H 91 8.512 8.512 8.366 0.146 25837 244 1 . 1 1 92 92 SER N N 92 122.911 122.911 122.133 0.778 25837 245 1 . 1 1 92 92 SER HA H 92 3.903 3.903 4.183 -0.280 25837 246 1 . 1 1 92 92 SER C C 92 176.603 176.603 176.181 0.422 25837 247 1 . 1 1 92 92 SER CA C 92 61.686 61.686 61.270 0.416 25837 248 1 . 1 1 92 92 SER CB C 92 62.551 62.551 63.087 -0.536 25837 249 1 . 1 1 92 92 SER H H 92 8.854 8.854 8.754 0.100 25837 250 1 . 1 1 93 93 THR N N 93 118.505 118.505 119.559 -1.054 25837 251 1 . 1 1 93 93 THR HA H 93 3.938 3.938 4.031 -0.093 25837 252 1 . 1 1 93 93 THR C C 93 176.521 176.521 176.427 0.094 25837 253 1 . 1 1 93 93 THR CA C 93 66.072 66.072 66.073 -0.001 25837 254 1 . 1 1 93 93 THR CB C 93 68.129 68.129 68.594 -0.465 25837 255 1 . 1 1 93 93 THR H H 93 8.580 8.580 7.819 0.761 25837 256 1 . 1 1 94 94 LEU N N 94 120.120 120.120 121.400 -1.280 25837 257 1 . 1 1 94 94 LEU HA H 94 4.044 4.044 3.993 0.051 25837 258 1 . 1 1 94 94 LEU C C 94 180.362 180.362 178.801 1.561 25837 259 1 . 1 1 94 94 LEU CA C 94 57.213 57.213 57.636 -0.423 25837 260 1 . 1 1 94 94 LEU CB C 94 41.687 41.687 41.315 0.372 25837 261 1 . 1 1 94 94 LEU H H 94 7.415 7.415 8.478 -1.063 25837 262 1 . 1 1 95 95 VAL N N 95 120.455 120.455 119.543 0.912 25837 263 1 . 1 1 95 95 VAL HA H 95 3.098 3.098 3.399 -0.301 25837 264 1 . 1 1 95 95 VAL C C 95 177.338 177.338 177.500 -0.162 25837 265 1 . 1 1 95 95 VAL CA C 95 66.726 66.726 66.189 0.537 25837 266 1 . 1 1 95 95 VAL CB C 95 31.368 31.368 31.231 0.137 25837 267 1 . 1 1 95 95 VAL H H 95 7.151 7.151 8.015 -0.864 25837 268 1 . 1 1 96 96 LEU N N 96 120.561 120.561 119.868 0.693 25837 269 1 . 1 1 96 96 LEU HA H 96 4.055 4.055 4.021 0.034 25837 270 1 . 1 1 96 96 LEU C C 96 179.245 179.245 178.261 0.984 25837 271 1 . 1 1 96 96 LEU CA C 96 58.060 58.060 57.879 0.181 25837 272 1 . 1 1 96 96 LEU CB C 96 41.330 41.330 41.568 -0.238 25837 273 1 . 1 1 96 96 LEU H H 96 7.900 7.900 8.008 -0.108 25837 274 1 . 1 1 97 97 LEU N N 97 118.021 118.021 116.723 1.298 25837 275 1 . 1 1 97 97 LEU HA H 97 4.045 4.045 4.022 0.023 25837 276 1 . 1 1 97 97 LEU C C 97 179.409 179.409 178.162 1.247 25837 277 1 . 1 1 97 97 LEU CA C 97 57.648 57.648 57.247 0.401 25837 278 1 . 1 1 97 97 LEU CB C 97 41.670 41.670 41.420 0.250 25837 279 1 . 1 1 97 97 LEU H H 97 7.610 7.610 7.515 0.095 25837 280 1 . 1 1 98 98 TYR N N 98 120.085 120.085 119.160 0.925 25837 281 1 . 1 1 98 98 TYR HA H 98 4.291 4.291 4.307 -0.016 25837 282 1 . 1 1 98 98 TYR C C 98 177.910 177.910 177.752 0.158 25837 283 1 . 1 1 98 98 TYR CA C 98 60.678 60.678 60.777 -0.099 25837 284 1 . 1 1 98 98 TYR CB C 98 37.798 37.798 39.761 -1.963 25837 285 1 . 1 1 98 98 TYR H H 98 7.486 7.486 7.550 -0.064 25837 286 1 . 1 1 99 99 GLN N N 99 119.291 119.291 117.709 1.582 25837 287 1 . 1 1 99 99 GLN HA H 99 3.768 3.768 3.964 -0.196 25837 288 1 . 1 1 99 99 GLN C C 99 178.210 178.210 178.270 -0.060 25837 289 1 . 1 1 99 99 GLN CA C 99 58.090 58.090 58.752 -0.662 25837 290 1 . 1 1 99 99 GLN CB C 99 28.395 28.395 28.579 -0.184 25837 291 1 . 1 1 99 99 GLN H H 99 8.486 8.486 8.505 -0.019 25837 292 1 . 1 1 100 100 GLN N N 100 116.903 116.903 116.227 0.676 25837 293 1 . 1 1 100 100 GLN HA H 100 4.119 4.119 4.134 -0.015 25837 294 1 . 1 1 100 100 GLN C C 100 176.603 176.603 177.090 -0.487 25837 295 1 . 1 1 100 100 GLN CA C 100 57.163 57.163 57.387 -0.224 25837 296 1 . 1 1 100 100 GLN CB C 100 28.533 28.533 28.453 0.080 25837 297 1 . 1 1 100 100 GLN H H 100 8.028 8.028 7.913 0.115 25837 298 1 . 1 1 101 101 GLN N N 101 117.138 117.138 115.760 1.378 25837 299 1 . 1 1 101 101 GLN HA H 101 4.256 4.256 4.278 -0.022 25837 300 1 . 1 1 101 101 GLN C C 101 175.786 175.786 176.116 -0.330 25837 301 1 . 1 1 101 101 GLN CA C 101 55.719 55.719 55.662 0.057 25837 302 1 . 1 1 101 101 GLN CB C 101 28.965 28.965 29.101 -0.136 25837 303 1 . 1 1 101 101 GLN H H 101 7.518 7.518 7.410 0.108 25837 304 1 . 1 1 102 102 GLN N N 102 120.384 120.384 120.146 0.238 25837 305 1 . 1 1 102 102 GLN HA H 102 4.440 4.440 4.502 -0.062 25837 306 1 . 1 1 102 102 GLN CA C 102 53.431 53.431 53.018 0.413 25837 307 1 . 1 1 102 102 GLN CB C 102 27.980 27.980 28.713 -0.733 25837 308 1 . 1 1 102 102 GLN H H 102 7.689 7.689 7.372 0.317 25837 309 1 . 1 1 103 103 PRO HA H 103 4.392 4.392 4.426 -0.034 25837 310 1 . 1 1 103 103 PRO C C 103 176.875 176.875 175.960 0.915 25837 311 1 . 1 1 103 103 PRO CA C 103 63.110 63.110 63.328 -0.218 25837 312 1 . 1 1 103 103 PRO CB C 103 31.883 31.883 31.305 0.578 25837 313 1 . 1 1 104 104 MET N N 104 120.498 120.498 124.725 -4.227 25837 314 1 . 1 1 104 104 MET HA H 104 4.429 4.429 4.435 -0.006 25837 315 1 . 1 1 104 104 MET C C 104 175.786 175.786 175.628 0.158 25837 316 1 . 1 1 104 104 MET CA C 104 55.365 55.365 55.933 -0.568 25837 317 1 . 1 1 104 104 MET CB C 104 32.682 32.682 33.105 -0.423 25837 318 1 . 1 1 104 104 MET H H 104 8.461 8.461 8.273 0.188 25837 319 1 . 1 1 105 105 ASN N N 105 120.052 120.052 120.214 -0.162 25837 320 1 . 1 1 105 105 ASN HA H 105 4.723 4.723 4.712 0.011 25837 321 1 . 1 1 105 105 ASN C C 105 173.933 173.933 174.559 -0.626 25837 322 1 . 1 1 105 105 ASN CA C 105 53.322 53.322 53.390 -0.068 25837 323 1 . 1 1 105 105 ASN CB C 105 38.974 38.974 38.702 0.272 25837 324 1 . 1 1 105 105 ASN H H 105 8.439 8.439 8.402 0.037 25837 stop_ save_