data_18301 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18301 _Entry.PDB_ID 2LQB 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 18301 _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 4 4 MET N N 4 121.245 121.245 123.467 -2.222 18301 2 1 1 . 1 1 4 4 MET HA H 4 4.302 4.302 4.323 -0.021 18301 3 1 1 . 1 1 4 4 MET C C 4 175.828 175.828 175.885 -0.057 18301 4 1 1 . 1 1 4 4 MET CA C 4 56.414 56.414 55.316 1.098 18301 5 1 1 . 1 1 4 4 MET CB C 4 32.361 32.361 32.441 -0.080 18301 6 1 1 . 1 1 4 4 MET H H 4 8.363 8.363 8.026 0.337 18301 7 1 1 . 1 1 5 5 GLN N N 5 121.670 121.670 123.621 -1.951 18301 8 1 1 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.128 0.122 18301 9 1 1 . 1 1 5 5 GLN C C 5 175.245 175.245 175.683 -0.438 18301 10 1 1 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.412 0.088 18301 11 1 1 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.363 -0.044 18301 12 1 1 . 1 1 5 5 GLN H H 5 8.266 8.266 8.570 -0.304 18301 13 1 1 . 1 1 6 6 GLU N N 6 120.500 120.500 118.643 1.857 18301 14 1 1 . 1 1 6 6 GLU HA H 6 4.777 4.777 3.930 0.847 18301 15 1 1 . 1 1 6 6 GLU C C 6 174.619 174.619 175.080 -0.461 18301 16 1 1 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.638 -1.599 18301 17 1 1 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.522 3.142 18301 18 1 1 . 1 1 6 6 GLU H H 6 8.238 8.238 7.697 0.541 18301 19 1 1 . 1 1 7 7 ALA N N 7 125.790 125.790 126.670 -0.880 18301 20 1 1 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.718 -0.156 18301 21 1 1 . 1 1 7 7 ALA C C 7 173.633 173.633 175.358 -1.725 18301 22 1 1 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.806 -0.536 18301 23 1 1 . 1 1 7 7 ALA CB C 7 22.412 22.412 22.042 0.370 18301 24 1 1 . 1 1 7 7 ALA H H 7 8.838 8.838 8.311 0.527 18301 25 1 1 . 1 1 8 8 VAL N N 8 117.770 117.770 121.160 -3.390 18301 26 1 1 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.890 0.476 18301 27 1 1 . 1 1 8 8 VAL C C 8 176.717 176.717 175.438 1.279 18301 28 1 1 . 1 1 8 8 VAL CA C 8 60.582 60.582 61.235 -0.653 18301 29 1 1 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.411 0.512 18301 30 1 1 . 1 1 8 8 VAL H H 8 8.340 8.340 8.384 -0.044 18301 31 1 1 . 1 1 9 9 VAL N N 9 128.140 128.140 127.019 1.121 18301 32 1 1 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.426 0.399 18301 33 1 1 . 1 1 9 9 VAL C C 9 170.910 170.910 174.899 -3.989 18301 34 1 1 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.432 -1.311 18301 35 1 1 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.758 0.121 18301 36 1 1 . 1 1 9 9 VAL H H 9 9.560 9.560 9.299 0.261 18301 37 1 1 . 1 1 10 10 LYS N N 10 126.441 126.441 126.566 -0.125 18301 38 1 1 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.079 0.317 18301 39 1 1 . 1 1 10 10 LYS C C 10 175.078 175.078 175.084 -0.006 18301 40 1 1 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.665 -0.270 18301 41 1 1 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.407 0.777 18301 42 1 1 . 1 1 10 10 LYS H H 10 8.821 8.821 8.501 0.320 18301 43 1 1 . 1 1 11 11 LEU N N 11 119.930 119.930 123.554 -3.624 18301 44 1 1 . 1 1 11 11 LEU HA H 11 5.371 5.371 5.056 0.315 18301 45 1 1 . 1 1 11 11 LEU C C 11 177.801 177.801 175.676 2.125 18301 46 1 1 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.385 -1.482 18301 47 1 1 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.845 -1.931 18301 48 1 1 . 1 1 11 11 LEU H H 11 9.277 9.277 9.241 0.036 18301 49 1 1 . 1 1 12 12 ARG N N 12 125.200 125.200 122.615 2.585 18301 50 1 1 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.347 0.557 18301 51 1 1 . 1 1 12 12 ARG C C 12 175.773 175.773 175.433 0.340 18301 52 1 1 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.977 -0.336 18301 53 1 1 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.200 -0.187 18301 54 1 1 . 1 1 12 12 ARG H H 12 9.300 9.300 8.900 0.400 18301 55 1 1 . 1 1 13 13 VAL N N 13 126.780 126.780 127.245 -0.465 18301 56 1 1 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.374 0.137 18301 57 1 1 . 1 1 13 13 VAL C C 13 174.564 174.564 176.438 -1.874 18301 58 1 1 . 1 1 13 13 VAL CA C 13 61.785 61.785 61.822 -0.037 18301 59 1 1 . 1 1 13 13 VAL CB C 13 33.706 33.706 31.351 2.355 18301 60 1 1 . 1 1 13 13 VAL H H 13 8.110 8.110 8.205 -0.095 18301 61 1 1 . 1 1 14 14 GLU N N 14 126.510 126.510 127.093 -0.583 18301 62 1 1 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.485 0.180 18301 63 1 1 . 1 1 14 14 GLU C C 14 176.426 176.426 177.375 -0.949 18301 64 1 1 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.151 -0.768 18301 65 1 1 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.822 0.799 18301 66 1 1 . 1 1 14 14 GLU H H 14 9.100 9.100 8.877 0.223 18301 67 1 1 . 1 1 15 15 GLY N N 15 108.020 108.020 108.434 -0.414 18301 68 1 1 . 1 1 15 15 GLY C C 15 175.884 175.884 174.633 1.251 18301 69 1 1 . 1 1 15 15 GLY CA C 15 44.900 44.900 44.752 0.148 18301 70 1 1 . 1 1 15 15 GLY H H 15 8.680 8.680 7.934 0.746 18301 71 1 1 . 1 1 16 16 MET N N 16 120.590 120.590 120.002 0.588 18301 72 1 1 . 1 1 16 16 MET HA H 16 4.880 4.880 4.412 0.469 18301 73 1 1 . 1 1 16 16 MET C C 16 177.342 177.342 176.004 1.338 18301 74 1 1 . 1 1 16 16 MET CA C 16 56.672 56.672 56.183 0.489 18301 75 1 1 . 1 1 16 16 MET H H 16 9.033 9.033 7.932 1.101 18301 76 1 1 . 1 1 17 17 THR N N 17 123.321 123.321 114.647 8.674 18301 77 1 1 . 1 1 17 17 THR C C 17 176.231 176.231 174.438 1.793 18301 78 1 1 . 1 1 17 17 THR CA C 17 57.114 57.114 60.202 -3.088 18301 79 1 1 . 1 1 17 17 THR H H 17 8.591 8.591 7.959 0.632 18301 80 1 1 . 1 1 18 18 CYS N N 18 120.560 120.560 119.109 1.451 18301 81 1 1 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.221 0.839 18301 82 1 1 . 1 1 18 18 CYS C C 18 174.467 174.467 175.784 -1.317 18301 83 1 1 . 1 1 18 18 CYS CA C 18 57.500 57.500 59.720 -2.220 18301 84 1 1 . 1 1 18 18 CYS CB C 18 30.996 30.996 27.849 3.147 18301 85 1 1 . 1 1 18 18 CYS H H 18 8.809 8.809 8.349 0.460 18301 86 1 1 . 1 1 20 20 SER N N 20 123.434 123.434 113.782 9.652 18301 87 1 1 . 1 1 20 20 SER HA H 20 4.461 4.461 4.673 -0.212 18301 88 1 1 . 1 1 20 20 SER C C 20 177.009 177.009 175.132 1.877 18301 89 1 1 . 1 1 20 20 SER CA C 20 62.214 62.214 57.549 4.665 18301 90 1 1 . 1 1 20 20 SER H H 20 8.297 8.297 8.733 -0.436 18301 91 1 1 . 1 1 21 21 CYS N N 21 125.740 125.740 121.748 3.992 18301 92 1 1 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.177 -0.117 18301 93 1 1 . 1 1 21 21 CYS C C 21 177.495 177.495 175.782 1.713 18301 94 1 1 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.609 1.937 18301 95 1 1 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.312 1.488 18301 96 1 1 . 1 1 21 21 CYS H H 21 7.861 7.861 8.633 -0.772 18301 97 1 1 . 1 1 22 22 VAL N N 22 118.130 118.130 119.436 -1.306 18301 98 1 1 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.482 -0.272 18301 99 1 1 . 1 1 22 22 VAL C C 22 177.843 177.843 177.846 -0.003 18301 100 1 1 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.232 0.193 18301 101 1 1 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.587 -0.053 18301 102 1 1 . 1 1 22 22 VAL H H 22 6.860 6.860 8.048 -1.188 18301 103 1 1 . 1 1 23 23 SER N N 23 112.820 112.820 114.502 -1.682 18301 104 1 1 . 1 1 23 23 SER HA H 23 4.220 4.220 4.113 0.107 18301 105 1 1 . 1 1 23 23 SER C C 23 178.162 178.162 176.629 1.533 18301 106 1 1 . 1 1 23 23 SER CA C 23 61.398 61.398 61.453 -0.055 18301 107 1 1 . 1 1 23 23 SER CB C 23 62.550 62.550 62.707 -0.157 18301 108 1 1 . 1 1 23 23 SER H H 23 8.341 8.341 7.691 0.650 18301 109 1 1 . 1 1 24 24 SER N N 24 119.341 119.341 118.082 1.259 18301 110 1 1 . 1 1 24 24 SER HA H 24 4.859 4.859 4.247 0.612 18301 111 1 1 . 1 1 24 24 SER C C 24 176.856 176.856 176.266 0.590 18301 112 1 1 . 1 1 24 24 SER CA C 24 61.570 61.570 61.790 -0.220 18301 113 1 1 . 1 1 24 24 SER CB C 24 62.506 62.506 63.056 -0.550 18301 114 1 1 . 1 1 24 24 SER H H 24 8.286 8.286 7.371 0.915 18301 115 1 1 . 1 1 25 25 ILE N N 25 122.340 122.340 121.211 1.129 18301 116 1 1 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.682 -0.090 18301 117 1 1 . 1 1 25 25 ILE C C 25 177.912 177.912 177.404 0.508 18301 118 1 1 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.715 1.323 18301 119 1 1 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.626 0.859 18301 120 1 1 . 1 1 25 25 ILE H H 25 8.057 8.057 8.444 -0.387 18301 121 1 1 . 1 1 26 26 GLU N N 26 117.081 117.081 119.947 -2.866 18301 122 1 1 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.004 -0.449 18301 123 1 1 . 1 1 26 26 GLU C C 26 178.523 178.523 179.493 -0.970 18301 124 1 1 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.163 1.462 18301 125 1 1 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.412 0.409 18301 126 1 1 . 1 1 26 26 GLU H H 26 8.504 8.504 7.682 0.822 18301 127 1 1 . 1 1 27 27 GLY N N 27 102.731 102.731 107.619 -4.888 18301 128 1 1 . 1 1 27 27 GLY C C 27 175.925 175.925 176.252 -0.327 18301 129 1 1 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.555 0.278 18301 130 1 1 . 1 1 27 27 GLY H H 27 8.231 8.231 7.789 0.442 18301 131 1 1 . 1 1 28 28 LYS N N 28 119.316 119.316 122.601 -3.285 18301 132 1 1 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.033 0.077 18301 133 1 1 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.938 0.091 18301 134 1 1 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.159 0.757 18301 135 1 1 . 1 1 28 28 LYS H H 28 7.640 7.640 7.499 0.141 18301 136 1 1 . 1 1 29 29 VAL N N 29 118.845 118.845 119.339 -0.494 18301 137 1 1 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.680 -0.230 18301 138 1 1 . 1 1 29 29 VAL C C 29 177.259 177.259 177.822 -0.563 18301 139 1 1 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.159 0.578 18301 140 1 1 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.783 -0.466 18301 141 1 1 . 1 1 29 29 VAL H H 29 8.577 8.577 7.564 1.013 18301 142 1 1 . 1 1 30 30 ARG N N 30 115.480 115.480 119.173 -3.693 18301 143 1 1 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.114 -0.294 18301 144 1 1 . 1 1 30 30 ARG C C 30 176.717 176.717 177.379 -0.662 18301 145 1 1 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.040 0.608 18301 146 1 1 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.813 0.288 18301 147 1 1 . 1 1 30 30 ARG H H 30 8.083 8.083 7.974 0.109 18301 148 1 1 . 1 1 31 31 LYS N N 31 114.395 114.395 116.213 -1.818 18301 149 1 1 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.301 -0.110 18301 150 1 1 . 1 1 31 31 LYS C C 31 176.870 176.870 176.654 0.216 18301 151 1 1 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.757 0.485 18301 152 1 1 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.974 -0.050 18301 153 1 1 . 1 1 31 31 LYS H H 31 6.757 6.757 7.909 -1.152 18301 154 1 1 . 1 1 32 32 LEU N N 32 121.290 121.290 121.996 -0.706 18301 155 1 1 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.198 -0.103 18301 156 1 1 . 1 1 32 32 LEU C C 32 177.398 177.398 177.718 -0.320 18301 157 1 1 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.765 -0.112 18301 158 1 1 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.731 -0.423 18301 159 1 1 . 1 1 32 32 LEU H H 32 7.386 7.386 7.368 0.018 18301 160 1 1 . 1 1 33 33 GLN N N 33 124.330 124.330 125.426 -1.096 18301 161 1 1 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.207 -0.117 18301 162 1 1 . 1 1 33 33 GLN C C 33 175.661 175.661 177.574 -1.913 18301 163 1 1 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.812 -0.917 18301 164 1 1 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.061 -0.984 18301 165 1 1 . 1 1 33 33 GLN H H 33 8.650 8.650 8.628 0.022 18301 166 1 1 . 1 1 34 34 GLY N N 34 109.990 109.990 107.472 2.518 18301 167 1 1 . 1 1 34 34 GLY C C 34 173.911 173.911 175.343 -1.432 18301 168 1 1 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.437 0.107 18301 169 1 1 . 1 1 34 34 GLY H H 34 8.759 8.759 8.198 0.561 18301 170 1 1 . 1 1 35 35 VAL N N 35 119.540 119.540 121.990 -2.450 18301 171 1 1 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.991 -0.141 18301 172 1 1 . 1 1 35 35 VAL C C 35 175.759 175.759 176.638 -0.879 18301 173 1 1 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.856 -0.053 18301 174 1 1 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.230 -0.804 18301 175 1 1 . 1 1 35 35 VAL H H 35 7.600 7.600 7.836 -0.236 18301 176 1 1 . 1 1 36 36 VAL N N 36 130.030 130.030 126.771 3.259 18301 177 1 1 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.079 -0.167 18301 178 1 1 . 1 1 36 36 VAL C C 36 176.023 176.023 175.921 0.102 18301 179 1 1 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.677 0.523 18301 180 1 1 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.675 1.005 18301 181 1 1 . 1 1 36 36 VAL H H 36 9.141 9.141 8.720 0.421 18301 182 1 1 . 1 1 37 37 ARG N N 37 116.750 116.750 115.753 0.997 18301 183 1 1 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.493 0.148 18301 184 1 1 . 1 1 37 37 ARG C C 37 173.230 173.230 173.542 -0.312 18301 185 1 1 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.262 0.319 18301 186 1 1 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.339 -0.402 18301 187 1 1 . 1 1 37 37 ARG H H 37 7.859 7.859 7.758 0.101 18301 188 1 1 . 1 1 38 38 VAL N N 38 119.900 119.900 121.698 -1.798 18301 189 1 1 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.693 0.286 18301 190 1 1 . 1 1 38 38 VAL C C 38 171.841 171.841 174.469 -2.628 18301 191 1 1 . 1 1 38 38 VAL CA C 38 59.637 59.637 61.297 -1.661 18301 192 1 1 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.016 -0.657 18301 193 1 1 . 1 1 38 38 VAL H H 38 8.785 8.785 8.553 0.232 18301 194 1 1 . 1 1 39 39 LYS N N 39 126.750 126.750 128.427 -1.677 18301 195 1 1 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.645 0.165 18301 196 1 1 . 1 1 39 39 LYS C C 39 175.634 175.634 174.719 0.915 18301 197 1 1 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.262 0.176 18301 198 1 1 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.353 1.004 18301 199 1 1 . 1 1 39 39 LYS H H 39 8.360 8.360 8.698 -0.338 18301 200 1 1 . 1 1 40 40 VAL N N 40 131.410 131.410 126.436 4.974 18301 201 1 1 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.285 0.502 18301 202 1 1 . 1 1 40 40 VAL C C 40 173.522 173.522 175.220 -1.698 18301 203 1 1 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.106 -0.138 18301 204 1 1 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.844 -1.441 18301 205 1 1 . 1 1 40 40 VAL H H 40 10.183 10.183 8.626 1.557 18301 206 1 1 . 1 1 41 41 SER N N 41 120.470 120.470 122.335 -1.865 18301 207 1 1 . 1 1 41 41 SER HA H 41 4.852 4.852 4.724 0.128 18301 208 1 1 . 1 1 41 41 SER C C 41 175.217 175.217 174.544 0.673 18301 209 1 1 . 1 1 41 41 SER CA C 41 55.039 55.039 56.077 -1.038 18301 210 1 1 . 1 1 41 41 SER CB C 41 64.710 64.710 63.651 1.060 18301 211 1 1 . 1 1 41 41 SER H H 41 8.868 8.868 8.210 0.658 18301 212 1 1 . 1 1 42 42 LEU N N 42 130.390 130.390 129.328 1.062 18301 213 1 1 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.298 0.512 18301 214 1 1 . 1 1 42 42 LEU C C 42 179.982 179.982 177.521 2.461 18301 215 1 1 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.570 1.305 18301 216 1 1 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.503 0.527 18301 217 1 1 . 1 1 42 42 LEU H H 42 8.998 8.998 8.924 0.074 18301 218 1 1 . 1 1 44 44 ASN N N 44 116.079 116.079 117.838 -1.759 18301 219 1 1 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.845 -0.001 18301 220 1 1 . 1 1 44 44 ASN C C 44 173.786 173.786 174.392 -0.606 18301 221 1 1 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.938 -0.648 18301 222 1 1 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.429 -1.249 18301 223 1 1 . 1 1 44 44 ASN H H 44 7.812 7.812 7.457 0.355 18301 224 1 1 . 1 1 45 45 GLN N N 45 117.658 117.658 115.037 2.621 18301 225 1 1 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.947 -0.346 18301 226 1 1 . 1 1 45 45 GLN C C 45 175.314 175.314 173.826 1.488 18301 227 1 1 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.117 -0.188 18301 228 1 1 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.417 -0.356 18301 229 1 1 . 1 1 45 45 GLN H H 45 7.679 7.679 7.764 -0.085 18301 230 1 1 . 1 1 46 46 GLU N N 46 116.510 116.510 116.643 -0.133 18301 231 1 1 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.758 0.936 18301 232 1 1 . 1 1 46 46 GLU C C 46 173.869 173.869 173.858 0.011 18301 233 1 1 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.957 0.438 18301 234 1 1 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.151 1.380 18301 235 1 1 . 1 1 46 46 GLU H H 46 7.780 7.780 7.773 0.007 18301 236 1 1 . 1 1 47 47 ALA N N 47 124.870 124.870 121.840 3.030 18301 237 1 1 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.649 0.458 18301 238 1 1 . 1 1 47 47 ALA C C 47 174.758 174.758 175.019 -0.261 18301 239 1 1 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.934 -1.136 18301 240 1 1 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.846 0.230 18301 241 1 1 . 1 1 47 47 ALA H H 47 9.170 9.170 8.936 0.234 18301 242 1 1 . 1 1 48 48 VAL N N 48 123.890 123.890 124.492 -0.602 18301 243 1 1 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.648 -0.076 18301 244 1 1 . 1 1 48 48 VAL C C 48 176.217 176.217 174.795 1.422 18301 245 1 1 . 1 1 48 48 VAL CA C 48 62.644 62.644 60.281 2.363 18301 246 1 1 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.143 -0.610 18301 247 1 1 . 1 1 48 48 VAL H H 48 8.930 8.930 8.964 -0.034 18301 248 1 1 . 1 1 49 49 ILE N N 49 129.890 129.890 128.768 1.122 18301 249 1 1 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.422 0.418 18301 250 1 1 . 1 1 49 49 ILE C C 49 174.619 174.619 174.975 -0.356 18301 251 1 1 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.531 -0.121 18301 252 1 1 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.024 0.893 18301 253 1 1 . 1 1 49 49 ILE H H 49 9.340 9.340 9.336 0.004 18301 254 1 1 . 1 1 50 50 THR N N 50 125.910 125.910 124.732 1.178 18301 255 1 1 . 1 1 50 50 THR HA H 50 5.486 5.486 4.762 0.724 18301 256 1 1 . 1 1 50 50 THR C C 50 174.286 174.286 173.747 0.539 18301 257 1 1 . 1 1 50 50 THR CA C 50 61.871 61.871 62.569 -0.698 18301 258 1 1 . 1 1 50 50 THR CB C 50 68.762 68.762 69.289 -0.527 18301 259 1 1 . 1 1 50 50 THR H H 50 9.225 9.225 9.035 0.190 18301 260 1 1 . 1 1 51 51 TYR N N 51 127.720 127.720 125.713 2.007 18301 261 1 1 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.993 0.672 18301 262 1 1 . 1 1 51 51 TYR C C 51 171.758 171.758 172.778 -1.020 18301 263 1 1 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.571 -0.446 18301 264 1 1 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.507 1.037 18301 265 1 1 . 1 1 51 51 TYR H H 51 9.846 9.846 9.453 0.393 18301 266 1 1 . 1 1 52 52 GLN N N 52 120.470 120.470 118.099 2.371 18301 267 1 1 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.536 0.487 18301 268 1 1 . 1 1 52 52 GLN C C 52 175.286 175.286 173.861 1.425 18301 269 1 1 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.591 0.398 18301 270 1 1 . 1 1 52 52 GLN H H 52 9.072 9.072 8.468 0.604 18301 271 1 1 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.726 -1.008 18301 272 1 1 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.049 0.354 18301 273 1 1 . 1 1 54 54 TYR N N 54 114.650 114.650 116.812 -2.162 18301 274 1 1 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.493 -0.092 18301 275 1 1 . 1 1 54 54 TYR C C 54 175.689 175.689 174.976 0.713 18301 276 1 1 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.283 -0.549 18301 277 1 1 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.912 -1.340 18301 278 1 1 . 1 1 54 54 TYR H H 54 8.158 8.158 8.279 -0.121 18301 279 1 1 . 1 1 55 55 LEU N N 55 117.788 117.788 117.834 -0.046 18301 280 1 1 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.420 -0.008 18301 281 1 1 . 1 1 55 55 LEU C C 55 175.786 175.786 176.889 -1.103 18301 282 1 1 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.875 0.164 18301 283 1 1 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.459 2.410 18301 284 1 1 . 1 1 55 55 LEU H H 55 7.968 7.968 7.327 0.641 18301 285 1 1 . 1 1 56 56 ILE N N 56 121.565 121.565 117.266 4.299 18301 286 1 1 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.354 0.067 18301 287 1 1 . 1 1 56 56 ILE C C 56 170.396 170.396 174.280 -3.884 18301 288 1 1 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.058 2.297 18301 289 1 1 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.626 -0.839 18301 290 1 1 . 1 1 56 56 ILE H H 56 8.211 8.211 7.705 0.506 18301 291 1 1 . 1 1 57 57 GLN N N 57 119.400 119.400 124.436 -5.036 18301 292 1 1 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.866 0.127 18301 293 1 1 . 1 1 57 57 GLN C C 57 175.911 175.911 174.932 0.979 18301 294 1 1 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.358 -2.111 18301 295 1 1 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.546 0.338 18301 296 1 1 . 1 1 57 57 GLN H H 57 7.953 7.953 8.675 -0.722 18301 297 1 1 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.448 0.632 18301 298 1 1 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.870 -0.070 18301 299 1 1 . 1 1 59 59 GLU N N 59 116.700 116.700 118.401 -1.701 18301 300 1 1 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.945 -0.368 18301 301 1 1 . 1 1 59 59 GLU C C 59 177.634 177.634 178.530 -0.896 18301 302 1 1 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.673 1.681 18301 303 1 1 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.867 -0.460 18301 304 1 1 . 1 1 59 59 GLU H H 59 9.588 9.588 8.571 1.017 18301 305 1 1 . 1 1 60 60 ASP N N 60 116.670 116.670 118.585 -1.915 18301 306 1 1 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.427 -0.156 18301 307 1 1 . 1 1 60 60 ASP C C 60 178.898 178.898 178.628 0.270 18301 308 1 1 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.298 -0.411 18301 309 1 1 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.977 -0.251 18301 310 1 1 . 1 1 60 60 ASP H H 60 6.994 6.994 8.308 -1.314 18301 311 1 1 . 1 1 61 61 LEU N N 61 120.023 120.023 118.263 1.760 18301 312 1 1 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.200 -0.441 18301 313 1 1 . 1 1 61 61 LEU C C 61 177.009 177.009 178.345 -1.336 18301 314 1 1 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.554 0.665 18301 315 1 1 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.159 0.406 18301 316 1 1 . 1 1 61 61 LEU H H 61 7.220 7.220 7.500 -0.280 18301 317 1 1 . 1 1 62 62 ARG N N 62 117.758 117.758 119.640 -1.882 18301 318 1 1 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.916 0.794 18301 319 1 1 . 1 1 62 62 ARG C C 62 177.676 177.676 178.028 -0.352 18301 320 1 1 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.438 -0.016 18301 321 1 1 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.595 -0.624 18301 322 1 1 . 1 1 62 62 ARG H H 62 8.034 8.034 7.659 0.375 18301 323 1 1 . 1 1 63 63 ASP N N 63 119.490 119.490 118.542 0.948 18301 324 1 1 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.421 -0.033 18301 325 1 1 . 1 1 63 63 ASP C C 63 178.190 178.190 178.598 -0.408 18301 326 1 1 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.612 0.048 18301 327 1 1 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.433 -1.340 18301 328 1 1 . 1 1 63 63 ASP H H 63 8.187 8.187 7.806 0.381 18301 329 1 1 . 1 1 64 64 HIS N N 64 119.289 119.289 119.250 0.039 18301 330 1 1 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.340 0.019 18301 331 1 1 . 1 1 64 64 HIS C C 64 178.607 178.607 177.710 0.897 18301 332 1 1 . 1 1 64 64 HIS CA C 64 60.324 60.324 59.143 1.181 18301 333 1 1 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.951 0.449 18301 334 1 1 . 1 1 64 64 HIS H H 64 8.250 8.250 7.394 0.856 18301 335 1 1 . 1 1 65 65 VAL N N 65 119.590 119.590 119.246 0.344 18301 336 1 1 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.794 -0.072 18301 337 1 1 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.599 0.341 18301 338 1 1 . 1 1 65 65 VAL CB C 65 31.813 31.813 30.573 1.240 18301 339 1 1 . 1 1 65 65 VAL H H 65 7.638 7.638 7.899 -0.261 18301 340 1 1 . 1 1 66 66 ASN N N 66 121.680 121.680 117.419 4.261 18301 341 1 1 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.480 0.670 18301 342 1 1 . 1 1 66 66 ASN C C 66 180.454 180.454 177.257 3.197 18301 343 1 1 . 1 1 66 66 ASN CA C 66 55.683 55.683 56.192 -0.509 18301 344 1 1 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.018 -0.032 18301 345 1 1 . 1 1 66 66 ASN H H 66 8.461 8.461 7.897 0.564 18301 346 1 1 . 1 1 67 67 ASP N N 67 120.750 120.750 121.474 -0.724 18301 347 1 1 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.408 0.032 18301 348 1 1 . 1 1 67 67 ASP C C 67 177.537 177.537 177.227 0.310 18301 349 1 1 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.151 0.477 18301 350 1 1 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.537 -0.054 18301 351 1 1 . 1 1 67 67 ASP H H 67 8.385 8.385 7.944 0.441 18301 352 1 1 . 1 1 68 68 MET N N 68 116.510 116.510 115.952 0.558 18301 353 1 1 . 1 1 68 68 MET HA H 68 4.287 4.287 4.378 -0.091 18301 354 1 1 . 1 1 68 68 MET C C 68 176.064 176.064 177.425 -1.361 18301 355 1 1 . 1 1 68 68 MET CA C 68 56.672 56.672 56.895 -0.223 18301 356 1 1 . 1 1 68 68 MET CB C 68 33.933 33.933 33.413 0.520 18301 357 1 1 . 1 1 68 68 MET H H 68 7.680 7.680 7.649 0.031 18301 358 1 1 . 1 1 69 69 GLY N N 69 105.290 105.290 106.603 -1.313 18301 359 1 1 . 1 1 69 69 GLY C C 69 173.640 173.640 174.372 -0.732 18301 360 1 1 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.375 -0.619 18301 361 1 1 . 1 1 69 69 GLY H H 69 8.049 8.049 8.285 -0.236 18301 362 1 1 . 1 1 70 70 PHE N N 70 118.850 118.850 120.170 -1.320 18301 363 1 1 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.692 0.044 18301 364 1 1 . 1 1 70 70 PHE C C 70 172.772 172.772 174.726 -1.954 18301 365 1 1 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.369 0.490 18301 366 1 1 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.658 -0.088 18301 367 1 1 . 1 1 70 70 PHE H H 70 6.689 6.689 8.058 -1.369 18301 368 1 1 . 1 1 71 71 GLU N N 71 118.550 118.550 121.087 -2.537 18301 369 1 1 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.726 -0.016 18301 370 1 1 . 1 1 71 71 GLU C C 71 175.370 175.370 175.119 0.251 18301 371 1 1 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.160 0.739 18301 372 1 1 . 1 1 71 71 GLU CB C 71 30.709 30.709 31.234 -0.525 18301 373 1 1 . 1 1 71 71 GLU H H 71 8.030 8.030 8.816 -0.786 18301 374 1 1 . 1 1 72 72 ALA N N 72 129.745 129.745 127.705 2.040 18301 375 1 1 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.465 0.451 18301 376 1 1 . 1 1 72 72 ALA C C 72 176.245 176.245 175.994 0.251 18301 377 1 1 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.521 -0.852 18301 378 1 1 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.697 0.798 18301 379 1 1 . 1 1 72 72 ALA H H 72 9.580 9.580 8.650 0.930 18301 380 1 1 . 1 1 73 73 ALA N N 73 121.581 121.581 125.453 -3.872 18301 381 1 1 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.832 -0.311 18301 382 1 1 . 1 1 73 73 ALA C C 73 176.162 176.162 176.392 -0.230 18301 383 1 1 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.202 0.541 18301 384 1 1 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.687 0.942 18301 385 1 1 . 1 1 73 73 ALA H H 73 8.633 8.633 8.485 0.148 18301 386 1 1 . 1 1 74 74 ILE N N 74 123.360 123.360 122.793 0.567 18301 387 1 1 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.818 0.176 18301 388 1 1 . 1 1 74 74 ILE C C 74 176.217 176.217 176.559 -0.342 18301 389 1 1 . 1 1 74 74 ILE CA C 74 63.331 63.331 61.941 1.390 18301 390 1 1 . 1 1 74 74 ILE CB C 74 38.311 38.311 36.033 2.277 18301 391 1 1 . 1 1 74 74 ILE H H 74 8.962 8.962 8.692 0.270 18301 392 1 1 . 1 1 75 75 LYS N N 75 130.310 130.310 128.905 1.405 18301 393 1 1 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.235 0.318 18301 394 1 1 . 1 1 75 75 LYS C C 75 175.217 175.217 176.947 -1.730 18301 395 1 1 . 1 1 75 75 LYS CA C 75 56.457 56.457 56.377 0.080 18301 396 1 1 . 1 1 75 75 LYS CB C 75 33.272 33.272 33.347 -0.075 18301 397 1 1 . 1 1 75 75 LYS H H 75 8.842 8.842 8.362 0.480 18301 398 1 2 . 1 1 4 4 MET N N 4 121.245 121.245 123.340 -2.095 18301 399 1 2 . 1 1 4 4 MET HA H 4 4.302 4.302 4.724 -0.422 18301 400 1 2 . 1 1 4 4 MET C C 4 175.828 175.828 175.958 -0.130 18301 401 1 2 . 1 1 4 4 MET CA C 4 56.414 56.414 55.306 1.108 18301 402 1 2 . 1 1 4 4 MET CB C 4 32.361 32.361 34.670 -2.309 18301 403 1 2 . 1 1 4 4 MET H H 4 8.363 8.363 8.194 0.169 18301 404 1 2 . 1 1 5 5 GLN N N 5 121.670 121.670 120.976 0.694 18301 405 1 2 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.470 -0.220 18301 406 1 2 . 1 1 5 5 GLN C C 5 175.245 175.245 175.631 -0.386 18301 407 1 2 . 1 1 5 5 GLN CA C 5 56.500 56.500 55.257 1.243 18301 408 1 2 . 1 1 5 5 GLN CB C 5 29.319 29.319 28.907 0.412 18301 409 1 2 . 1 1 5 5 GLN H H 5 8.266 8.266 8.450 -0.184 18301 410 1 2 . 1 1 6 6 GLU N N 6 120.500 120.500 119.251 1.249 18301 411 1 2 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.005 0.772 18301 412 1 2 . 1 1 6 6 GLU C C 6 174.619 174.619 175.295 -0.676 18301 413 1 2 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.454 -1.415 18301 414 1 2 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.658 3.006 18301 415 1 2 . 1 1 6 6 GLU H H 6 8.238 8.238 7.701 0.537 18301 416 1 2 . 1 1 7 7 ALA N N 7 125.790 125.790 126.646 -0.856 18301 417 1 2 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.750 -0.188 18301 418 1 2 . 1 1 7 7 ALA C C 7 173.633 173.633 175.533 -1.900 18301 419 1 2 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.748 -0.478 18301 420 1 2 . 1 1 7 7 ALA CB C 7 22.412 22.412 22.063 0.349 18301 421 1 2 . 1 1 7 7 ALA H H 7 8.838 8.838 8.154 0.684 18301 422 1 2 . 1 1 8 8 VAL N N 8 117.770 117.770 121.090 -3.320 18301 423 1 2 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.036 0.330 18301 424 1 2 . 1 1 8 8 VAL C C 8 176.717 176.717 175.188 1.529 18301 425 1 2 . 1 1 8 8 VAL CA C 8 60.582 60.582 61.026 -0.444 18301 426 1 2 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.270 0.653 18301 427 1 2 . 1 1 8 8 VAL H H 8 8.340 8.340 8.402 -0.062 18301 428 1 2 . 1 1 9 9 VAL N N 9 128.140 128.140 125.954 2.186 18301 429 1 2 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.527 0.298 18301 430 1 2 . 1 1 9 9 VAL C C 9 170.910 170.910 174.009 -3.099 18301 431 1 2 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.655 -0.534 18301 432 1 2 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.966 -0.087 18301 433 1 2 . 1 1 9 9 VAL H H 9 9.560 9.560 9.278 0.282 18301 434 1 2 . 1 1 10 10 LYS N N 10 126.441 126.441 127.626 -1.185 18301 435 1 2 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.083 0.313 18301 436 1 2 . 1 1 10 10 LYS C C 10 175.078 175.078 174.956 0.122 18301 437 1 2 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.782 -0.387 18301 438 1 2 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.992 0.192 18301 439 1 2 . 1 1 10 10 LYS H H 10 8.821 8.821 8.463 0.358 18301 440 1 2 . 1 1 11 11 LEU N N 11 119.930 119.930 124.041 -4.111 18301 441 1 2 . 1 1 11 11 LEU HA H 11 5.371 5.371 5.024 0.347 18301 442 1 2 . 1 1 11 11 LEU C C 11 177.801 177.801 175.889 1.912 18301 443 1 2 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.899 -1.996 18301 444 1 2 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.115 -2.201 18301 445 1 2 . 1 1 11 11 LEU H H 11 9.277 9.277 9.184 0.093 18301 446 1 2 . 1 1 12 12 ARG N N 12 125.200 125.200 122.243 2.957 18301 447 1 2 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.343 0.561 18301 448 1 2 . 1 1 12 12 ARG C C 12 175.773 175.773 175.494 0.279 18301 449 1 2 . 1 1 12 12 ARG CA C 12 55.641 55.641 56.194 -0.553 18301 450 1 2 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.021 -0.008 18301 451 1 2 . 1 1 12 12 ARG H H 12 9.300 9.300 8.735 0.565 18301 452 1 2 . 1 1 13 13 VAL N N 13 126.780 126.780 126.839 -0.059 18301 453 1 2 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.321 0.190 18301 454 1 2 . 1 1 13 13 VAL C C 13 174.564 174.564 176.196 -1.632 18301 455 1 2 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.845 -1.060 18301 456 1 2 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.292 1.414 18301 457 1 2 . 1 1 13 13 VAL H H 13 8.110 8.110 8.159 -0.049 18301 458 1 2 . 1 1 14 14 GLU N N 14 126.510 126.510 126.007 0.503 18301 459 1 2 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.470 0.195 18301 460 1 2 . 1 1 14 14 GLU C C 14 176.426 176.426 177.518 -1.092 18301 461 1 2 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.512 -1.129 18301 462 1 2 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.861 0.760 18301 463 1 2 . 1 1 14 14 GLU H H 14 9.100 9.100 8.882 0.218 18301 464 1 2 . 1 1 15 15 GLY N N 15 108.020 108.020 108.114 -0.094 18301 465 1 2 . 1 1 15 15 GLY C C 15 175.884 175.884 175.096 0.788 18301 466 1 2 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.462 -0.562 18301 467 1 2 . 1 1 15 15 GLY H H 15 8.680 8.680 8.149 0.531 18301 468 1 2 . 1 1 16 16 MET N N 16 120.590 120.590 117.949 2.641 18301 469 1 2 . 1 1 16 16 MET HA H 16 4.880 4.880 3.911 0.969 18301 470 1 2 . 1 1 16 16 MET C C 16 177.342 177.342 177.048 0.294 18301 471 1 2 . 1 1 16 16 MET CA C 16 56.672 56.672 56.925 -0.253 18301 472 1 2 . 1 1 16 16 MET H H 16 9.033 9.033 7.897 1.135 18301 473 1 2 . 1 1 17 17 THR N N 17 123.321 123.321 111.912 11.409 18301 474 1 2 . 1 1 17 17 THR C C 17 176.231 176.231 175.491 0.740 18301 475 1 2 . 1 1 17 17 THR CA C 17 57.114 57.114 63.863 -6.749 18301 476 1 2 . 1 1 17 17 THR H H 17 8.591 8.591 7.969 0.622 18301 477 1 2 . 1 1 18 18 CYS N N 18 120.560 120.560 121.882 -1.322 18301 478 1 2 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.293 0.767 18301 479 1 2 . 1 1 18 18 CYS C C 18 174.467 174.467 174.750 -0.283 18301 480 1 2 . 1 1 18 18 CYS CA C 18 57.500 57.500 60.946 -3.446 18301 481 1 2 . 1 1 18 18 CYS CB C 18 30.996 30.996 28.251 2.745 18301 482 1 2 . 1 1 18 18 CYS H H 18 8.809 8.809 7.708 1.101 18301 483 1 2 . 1 1 20 20 SER N N 20 123.434 123.434 117.758 5.676 18301 484 1 2 . 1 1 20 20 SER HA H 20 4.461 4.461 4.131 0.330 18301 485 1 2 . 1 1 20 20 SER C C 20 177.009 177.009 175.498 1.511 18301 486 1 2 . 1 1 20 20 SER CA C 20 62.214 62.214 59.637 2.577 18301 487 1 2 . 1 1 20 20 SER H H 20 8.297 8.297 9.110 -0.813 18301 488 1 2 . 1 1 21 21 CYS N N 21 125.740 125.740 116.996 8.744 18301 489 1 2 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.277 -0.217 18301 490 1 2 . 1 1 21 21 CYS C C 21 177.495 177.495 176.627 0.868 18301 491 1 2 . 1 1 21 21 CYS CA C 21 63.546 63.546 60.899 2.647 18301 492 1 2 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.446 1.354 18301 493 1 2 . 1 1 21 21 CYS H H 21 7.861 7.861 8.212 -0.351 18301 494 1 2 . 1 1 22 22 VAL N N 22 118.130 118.130 122.045 -3.915 18301 495 1 2 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.630 -0.420 18301 496 1 2 . 1 1 22 22 VAL C C 22 177.843 177.843 178.153 -0.310 18301 497 1 2 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.528 -0.103 18301 498 1 2 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.242 0.292 18301 499 1 2 . 1 1 22 22 VAL H H 22 6.860 6.860 7.785 -0.925 18301 500 1 2 . 1 1 23 23 SER N N 23 112.820 112.820 115.177 -2.357 18301 501 1 2 . 1 1 23 23 SER HA H 23 4.220 4.220 4.154 0.066 18301 502 1 2 . 1 1 23 23 SER C C 23 178.162 178.162 176.912 1.250 18301 503 1 2 . 1 1 23 23 SER CA C 23 61.398 61.398 61.897 -0.499 18301 504 1 2 . 1 1 23 23 SER CB C 23 62.550 62.550 62.598 -0.048 18301 505 1 2 . 1 1 23 23 SER H H 23 8.341 8.341 8.256 0.085 18301 506 1 2 . 1 1 24 24 SER N N 24 119.341 119.341 118.007 1.334 18301 507 1 2 . 1 1 24 24 SER HA H 24 4.859 4.859 4.253 0.606 18301 508 1 2 . 1 1 24 24 SER C C 24 176.856 176.856 176.746 0.110 18301 509 1 2 . 1 1 24 24 SER CA C 24 61.570 61.570 61.460 0.110 18301 510 1 2 . 1 1 24 24 SER CB C 24 62.506 62.506 63.135 -0.629 18301 511 1 2 . 1 1 24 24 SER H H 24 8.286 8.286 7.607 0.679 18301 512 1 2 . 1 1 25 25 ILE N N 25 122.340 122.340 122.541 -0.201 18301 513 1 2 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.860 -0.268 18301 514 1 2 . 1 1 25 25 ILE C C 25 177.912 177.912 178.050 -0.138 18301 515 1 2 . 1 1 25 25 ILE CA C 25 66.038 66.038 65.178 0.860 18301 516 1 2 . 1 1 25 25 ILE CB C 25 38.485 38.485 38.063 0.422 18301 517 1 2 . 1 1 25 25 ILE H H 25 8.057 8.057 8.028 0.029 18301 518 1 2 . 1 1 26 26 GLU N N 26 117.081 117.081 119.784 -2.703 18301 519 1 2 . 1 1 26 26 GLU HA H 26 3.555 3.555 3.984 -0.429 18301 520 1 2 . 1 1 26 26 GLU C C 26 178.523 178.523 179.396 -0.873 18301 521 1 2 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.216 1.409 18301 522 1 2 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.625 0.196 18301 523 1 2 . 1 1 26 26 GLU H H 26 8.504 8.504 8.292 0.212 18301 524 1 2 . 1 1 27 27 GLY N N 27 102.731 102.731 107.466 -4.735 18301 525 1 2 . 1 1 27 27 GLY C C 27 175.925 175.925 176.453 -0.528 18301 526 1 2 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.832 0.001 18301 527 1 2 . 1 1 27 27 GLY H H 27 8.231 8.231 8.012 0.219 18301 528 1 2 . 1 1 28 28 LYS N N 28 119.316 119.316 121.621 -2.305 18301 529 1 2 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.149 -0.039 18301 530 1 2 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.200 0.829 18301 531 1 2 . 1 1 28 28 LYS CB C 28 32.916 32.916 31.770 1.146 18301 532 1 2 . 1 1 28 28 LYS H H 28 7.640 7.640 8.027 -0.387 18301 533 1 2 . 1 1 29 29 VAL N N 29 118.845 118.845 119.480 -0.635 18301 534 1 2 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.704 -0.254 18301 535 1 2 . 1 1 29 29 VAL C C 29 177.259 177.259 177.683 -0.424 18301 536 1 2 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.195 0.542 18301 537 1 2 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.730 -0.413 18301 538 1 2 . 1 1 29 29 VAL H H 29 8.577 8.577 7.505 1.072 18301 539 1 2 . 1 1 30 30 ARG N N 30 115.480 115.480 118.645 -3.165 18301 540 1 2 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.104 -0.284 18301 541 1 2 . 1 1 30 30 ARG C C 30 176.717 176.717 177.240 -0.523 18301 542 1 2 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.401 0.247 18301 543 1 2 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.075 0.026 18301 544 1 2 . 1 1 30 30 ARG H H 30 8.083 8.083 7.533 0.550 18301 545 1 2 . 1 1 31 31 LYS N N 31 114.395 114.395 116.051 -1.656 18301 546 1 2 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.303 -0.112 18301 547 1 2 . 1 1 31 31 LYS C C 31 176.870 176.870 176.790 0.080 18301 548 1 2 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.437 0.805 18301 549 1 2 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.724 0.200 18301 550 1 2 . 1 1 31 31 LYS H H 31 6.757 6.757 7.943 -1.186 18301 551 1 2 . 1 1 32 32 LEU N N 32 121.290 121.290 122.249 -0.959 18301 552 1 2 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.189 -0.094 18301 553 1 2 . 1 1 32 32 LEU C C 32 177.398 177.398 177.221 0.177 18301 554 1 2 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.004 -0.351 18301 555 1 2 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.837 -0.528 18301 556 1 2 . 1 1 32 32 LEU H H 32 7.386 7.386 7.386 -0.000 18301 557 1 2 . 1 1 33 33 GLN N N 33 124.330 124.330 124.314 0.016 18301 558 1 2 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.219 -0.129 18301 559 1 2 . 1 1 33 33 GLN C C 33 175.661 175.661 177.527 -1.866 18301 560 1 2 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.720 -0.825 18301 561 1 2 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.206 -1.129 18301 562 1 2 . 1 1 33 33 GLN H H 33 8.650 8.650 8.520 0.130 18301 563 1 2 . 1 1 34 34 GLY N N 34 109.990 109.990 107.677 2.313 18301 564 1 2 . 1 1 34 34 GLY C C 34 173.911 173.911 175.374 -1.463 18301 565 1 2 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.685 -0.142 18301 566 1 2 . 1 1 34 34 GLY H H 34 8.759 8.759 8.242 0.517 18301 567 1 2 . 1 1 35 35 VAL N N 35 119.540 119.540 121.454 -1.914 18301 568 1 2 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.952 -0.102 18301 569 1 2 . 1 1 35 35 VAL C C 35 175.759 175.759 176.052 -0.293 18301 570 1 2 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.842 -0.039 18301 571 1 2 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.473 -1.047 18301 572 1 2 . 1 1 35 35 VAL H H 35 7.600 7.600 7.819 -0.219 18301 573 1 2 . 1 1 36 36 VAL N N 36 130.030 130.030 124.879 5.151 18301 574 1 2 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.046 -0.134 18301 575 1 2 . 1 1 36 36 VAL C C 36 176.023 176.023 175.412 0.611 18301 576 1 2 . 1 1 36 36 VAL CA C 36 64.200 64.200 64.487 -0.287 18301 577 1 2 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.783 0.897 18301 578 1 2 . 1 1 36 36 VAL H H 36 9.141 9.141 8.959 0.182 18301 579 1 2 . 1 1 37 37 ARG N N 37 116.750 116.750 114.812 1.938 18301 580 1 2 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.528 0.113 18301 581 1 2 . 1 1 37 37 ARG C C 37 173.230 173.230 173.292 -0.062 18301 582 1 2 . 1 1 37 37 ARG CA C 37 55.581 55.581 54.792 0.789 18301 583 1 2 . 1 1 37 37 ARG CB C 37 33.937 33.937 32.814 1.123 18301 584 1 2 . 1 1 37 37 ARG H H 37 7.859 7.859 7.766 0.093 18301 585 1 2 . 1 1 38 38 VAL N N 38 119.900 119.900 120.939 -1.039 18301 586 1 2 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.674 0.305 18301 587 1 2 . 1 1 38 38 VAL C C 38 171.841 171.841 174.503 -2.662 18301 588 1 2 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.429 -0.792 18301 589 1 2 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.704 -1.345 18301 590 1 2 . 1 1 38 38 VAL H H 38 8.785 8.785 8.465 0.320 18301 591 1 2 . 1 1 39 39 LYS N N 39 126.750 126.750 130.095 -3.345 18301 592 1 2 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.655 0.155 18301 593 1 2 . 1 1 39 39 LYS C C 39 175.634 175.634 174.514 1.120 18301 594 1 2 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.446 -0.008 18301 595 1 2 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.650 0.707 18301 596 1 2 . 1 1 39 39 LYS H H 39 8.360 8.360 8.832 -0.472 18301 597 1 2 . 1 1 40 40 VAL N N 40 131.410 131.410 125.912 5.498 18301 598 1 2 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.419 0.368 18301 599 1 2 . 1 1 40 40 VAL C C 40 173.522 173.522 175.199 -1.677 18301 600 1 2 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.446 -0.478 18301 601 1 2 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.943 -1.540 18301 602 1 2 . 1 1 40 40 VAL H H 40 10.183 10.183 8.560 1.623 18301 603 1 2 . 1 1 41 41 SER N N 41 120.470 120.470 120.476 -0.006 18301 604 1 2 . 1 1 41 41 SER HA H 41 4.852 4.852 4.867 -0.015 18301 605 1 2 . 1 1 41 41 SER C C 41 175.217 175.217 175.018 0.199 18301 606 1 2 . 1 1 41 41 SER CA C 41 55.039 55.039 55.610 -0.571 18301 607 1 2 . 1 1 41 41 SER CB C 41 64.710 64.710 63.282 1.428 18301 608 1 2 . 1 1 41 41 SER H H 41 8.868 8.868 8.389 0.478 18301 609 1 2 . 1 1 42 42 LEU N N 42 130.390 130.390 127.338 3.052 18301 610 1 2 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.308 0.502 18301 611 1 2 . 1 1 42 42 LEU C C 42 179.982 179.982 177.693 2.289 18301 612 1 2 . 1 1 42 42 LEU CA C 42 57.875 57.875 57.203 0.673 18301 613 1 2 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.681 0.349 18301 614 1 2 . 1 1 42 42 LEU H H 42 8.998 8.998 8.796 0.202 18301 615 1 2 . 1 1 44 44 ASN N N 44 116.079 116.079 118.301 -2.222 18301 616 1 2 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.816 0.028 18301 617 1 2 . 1 1 44 44 ASN C C 44 173.786 173.786 174.320 -0.534 18301 618 1 2 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.687 -0.397 18301 619 1 2 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.440 -1.260 18301 620 1 2 . 1 1 44 44 ASN H H 44 7.812 7.812 7.443 0.369 18301 621 1 2 . 1 1 45 45 GLN N N 45 117.658 117.658 114.560 3.098 18301 622 1 2 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.917 -0.316 18301 623 1 2 . 1 1 45 45 GLN C C 45 175.314 175.314 173.792 1.522 18301 624 1 2 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.215 -0.285 18301 625 1 2 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.467 -0.406 18301 626 1 2 . 1 1 45 45 GLN H H 45 7.679 7.679 7.778 -0.099 18301 627 1 2 . 1 1 46 46 GLU N N 46 116.510 116.510 116.083 0.427 18301 628 1 2 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.754 0.940 18301 629 1 2 . 1 1 46 46 GLU C C 46 173.869 173.869 173.845 0.024 18301 630 1 2 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.889 0.506 18301 631 1 2 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.152 1.379 18301 632 1 2 . 1 1 46 46 GLU H H 46 7.780 7.780 7.812 -0.032 18301 633 1 2 . 1 1 47 47 ALA N N 47 124.870 124.870 122.418 2.452 18301 634 1 2 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.721 0.386 18301 635 1 2 . 1 1 47 47 ALA C C 47 174.758 174.758 175.116 -0.358 18301 636 1 2 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.799 -1.001 18301 637 1 2 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.845 0.231 18301 638 1 2 . 1 1 47 47 ALA H H 47 9.170 9.170 8.846 0.324 18301 639 1 2 . 1 1 48 48 VAL N N 48 123.890 123.890 124.311 -0.421 18301 640 1 2 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.595 -0.023 18301 641 1 2 . 1 1 48 48 VAL C C 48 176.217 176.217 174.630 1.587 18301 642 1 2 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.448 1.196 18301 643 1 2 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.477 -0.944 18301 644 1 2 . 1 1 48 48 VAL H H 48 8.930 8.930 8.964 -0.034 18301 645 1 2 . 1 1 49 49 ILE N N 49 129.890 129.890 128.923 0.967 18301 646 1 2 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.462 0.378 18301 647 1 2 . 1 1 49 49 ILE C C 49 174.619 174.619 174.734 -0.115 18301 648 1 2 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.550 -0.140 18301 649 1 2 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.107 0.810 18301 650 1 2 . 1 1 49 49 ILE H H 49 9.340 9.340 9.316 0.024 18301 651 1 2 . 1 1 50 50 THR N N 50 125.910 125.910 124.696 1.214 18301 652 1 2 . 1 1 50 50 THR HA H 50 5.486 5.486 4.771 0.715 18301 653 1 2 . 1 1 50 50 THR C C 50 174.286 174.286 173.689 0.597 18301 654 1 2 . 1 1 50 50 THR CA C 50 61.871 61.871 62.657 -0.786 18301 655 1 2 . 1 1 50 50 THR CB C 50 68.762 68.762 69.397 -0.635 18301 656 1 2 . 1 1 50 50 THR H H 50 9.225 9.225 9.055 0.170 18301 657 1 2 . 1 1 51 51 TYR N N 51 127.720 127.720 125.615 2.105 18301 658 1 2 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.037 0.628 18301 659 1 2 . 1 1 51 51 TYR C C 51 171.758 171.758 172.863 -1.105 18301 660 1 2 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.439 -0.314 18301 661 1 2 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.552 0.992 18301 662 1 2 . 1 1 51 51 TYR H H 51 9.846 9.846 9.363 0.483 18301 663 1 2 . 1 1 52 52 GLN N N 52 120.470 120.470 117.657 2.813 18301 664 1 2 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.572 0.451 18301 665 1 2 . 1 1 52 52 GLN C C 52 175.286 175.286 173.920 1.366 18301 666 1 2 . 1 1 52 52 GLN CA C 52 51.989 51.989 52.130 -0.141 18301 667 1 2 . 1 1 52 52 GLN H H 52 9.072 9.072 8.453 0.619 18301 668 1 2 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.407 -0.689 18301 669 1 2 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.095 0.308 18301 670 1 2 . 1 1 54 54 TYR N N 54 114.650 114.650 117.537 -2.887 18301 671 1 2 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.449 -0.048 18301 672 1 2 . 1 1 54 54 TYR C C 54 175.689 175.689 175.090 0.599 18301 673 1 2 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.953 -0.219 18301 674 1 2 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.682 -1.110 18301 675 1 2 . 1 1 54 54 TYR H H 54 8.158 8.158 8.057 0.101 18301 676 1 2 . 1 1 55 55 LEU N N 55 117.788 117.788 117.884 -0.096 18301 677 1 2 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.404 0.008 18301 678 1 2 . 1 1 55 55 LEU C C 55 175.786 175.786 176.870 -1.084 18301 679 1 2 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.913 0.126 18301 680 1 2 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.407 2.462 18301 681 1 2 . 1 1 55 55 LEU H H 55 7.968 7.968 7.312 0.656 18301 682 1 2 . 1 1 56 56 ILE N N 56 121.565 121.565 118.359 3.206 18301 683 1 2 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.373 0.048 18301 684 1 2 . 1 1 56 56 ILE C C 56 170.396 170.396 174.359 -3.963 18301 685 1 2 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.468 1.887 18301 686 1 2 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.457 -0.670 18301 687 1 2 . 1 1 56 56 ILE H H 56 8.211 8.211 7.836 0.375 18301 688 1 2 . 1 1 57 57 GLN N N 57 119.400 119.400 124.596 -5.196 18301 689 1 2 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.873 0.120 18301 690 1 2 . 1 1 57 57 GLN C C 57 175.911 175.911 174.746 1.165 18301 691 1 2 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.654 -2.407 18301 692 1 2 . 1 1 57 57 GLN CB C 57 29.884 29.884 28.524 1.360 18301 693 1 2 . 1 1 57 57 GLN H H 57 7.953 7.953 8.661 -0.708 18301 694 1 2 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.653 0.427 18301 695 1 2 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.920 -0.120 18301 696 1 2 . 1 1 59 59 GLU N N 59 116.700 116.700 118.870 -2.170 18301 697 1 2 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.974 -0.397 18301 698 1 2 . 1 1 59 59 GLU C C 59 177.634 177.634 178.124 -0.490 18301 699 1 2 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.871 1.484 18301 700 1 2 . 1 1 59 59 GLU CB C 59 28.407 28.407 29.003 -0.596 18301 701 1 2 . 1 1 59 59 GLU H H 59 9.588 9.588 8.613 0.975 18301 702 1 2 . 1 1 60 60 ASP N N 60 116.670 116.670 118.409 -1.739 18301 703 1 2 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.421 -0.150 18301 704 1 2 . 1 1 60 60 ASP C C 60 178.898 178.898 178.507 0.391 18301 705 1 2 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.019 -0.132 18301 706 1 2 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.374 0.352 18301 707 1 2 . 1 1 60 60 ASP H H 60 6.994 6.994 8.360 -1.366 18301 708 1 2 . 1 1 61 61 LEU N N 61 120.023 120.023 118.617 1.406 18301 709 1 2 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.236 -0.477 18301 710 1 2 . 1 1 61 61 LEU C C 61 177.009 177.009 178.245 -1.236 18301 711 1 2 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.512 0.707 18301 712 1 2 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.424 0.141 18301 713 1 2 . 1 1 61 61 LEU H H 61 7.220 7.220 7.494 -0.274 18301 714 1 2 . 1 1 62 62 ARG N N 62 117.758 117.758 119.731 -1.973 18301 715 1 2 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.880 0.830 18301 716 1 2 . 1 1 62 62 ARG C C 62 177.676 177.676 177.880 -0.204 18301 717 1 2 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.813 -0.391 18301 718 1 2 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.693 -0.722 18301 719 1 2 . 1 1 62 62 ARG H H 62 8.034 8.034 7.723 0.311 18301 720 1 2 . 1 1 63 63 ASP N N 63 119.490 119.490 117.094 2.396 18301 721 1 2 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.414 -0.026 18301 722 1 2 . 1 1 63 63 ASP C C 63 178.190 178.190 177.927 0.263 18301 723 1 2 . 1 1 63 63 ASP CA C 63 57.660 57.660 56.994 0.666 18301 724 1 2 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.577 -1.484 18301 725 1 2 . 1 1 63 63 ASP H H 63 8.187 8.187 7.902 0.285 18301 726 1 2 . 1 1 64 64 HIS N N 64 119.289 119.289 118.816 0.473 18301 727 1 2 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.269 0.090 18301 728 1 2 . 1 1 64 64 HIS C C 64 178.607 178.607 177.888 0.719 18301 729 1 2 . 1 1 64 64 HIS CA C 64 60.324 60.324 59.177 1.147 18301 730 1 2 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.901 0.499 18301 731 1 2 . 1 1 64 64 HIS H H 64 8.250 8.250 7.407 0.843 18301 732 1 2 . 1 1 65 65 VAL N N 65 119.590 119.590 119.920 -0.330 18301 733 1 2 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.657 0.065 18301 734 1 2 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.193 0.747 18301 735 1 2 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.367 0.446 18301 736 1 2 . 1 1 65 65 VAL H H 65 7.638 7.638 7.792 -0.154 18301 737 1 2 . 1 1 66 66 ASN N N 66 121.680 121.680 117.465 4.215 18301 738 1 2 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.492 0.658 18301 739 1 2 . 1 1 66 66 ASN C C 66 180.454 180.454 177.191 3.263 18301 740 1 2 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.777 -0.094 18301 741 1 2 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.545 -0.559 18301 742 1 2 . 1 1 66 66 ASN H H 66 8.461 8.461 7.831 0.630 18301 743 1 2 . 1 1 67 67 ASP N N 67 120.750 120.750 120.260 0.490 18301 744 1 2 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.433 0.007 18301 745 1 2 . 1 1 67 67 ASP C C 67 177.537 177.537 177.113 0.424 18301 746 1 2 . 1 1 67 67 ASP CA C 67 56.628 56.628 55.854 0.774 18301 747 1 2 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.400 0.083 18301 748 1 2 . 1 1 67 67 ASP H H 67 8.385 8.385 7.807 0.578 18301 749 1 2 . 1 1 68 68 MET N N 68 116.510 116.510 115.956 0.554 18301 750 1 2 . 1 1 68 68 MET HA H 68 4.287 4.287 4.331 -0.044 18301 751 1 2 . 1 1 68 68 MET C C 68 176.064 176.064 176.700 -0.636 18301 752 1 2 . 1 1 68 68 MET CA C 68 56.672 56.672 55.125 1.547 18301 753 1 2 . 1 1 68 68 MET CB C 68 33.933 33.933 32.913 1.020 18301 754 1 2 . 1 1 68 68 MET H H 68 7.680 7.680 7.757 -0.077 18301 755 1 2 . 1 1 69 69 GLY N N 69 105.290 105.290 105.063 0.227 18301 756 1 2 . 1 1 69 69 GLY C C 69 173.640 173.640 174.539 -0.899 18301 757 1 2 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.200 -0.444 18301 758 1 2 . 1 1 69 69 GLY H H 69 8.049 8.049 8.108 -0.059 18301 759 1 2 . 1 1 70 70 PHE N N 70 118.850 118.850 118.968 -0.118 18301 760 1 2 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.655 0.081 18301 761 1 2 . 1 1 70 70 PHE C C 70 172.772 172.772 174.640 -1.868 18301 762 1 2 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.714 0.145 18301 763 1 2 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.080 0.490 18301 764 1 2 . 1 1 70 70 PHE H H 70 6.689 6.689 7.424 -0.735 18301 765 1 2 . 1 1 71 71 GLU N N 71 118.550 118.550 120.873 -2.323 18301 766 1 2 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.674 0.036 18301 767 1 2 . 1 1 71 71 GLU C C 71 175.370 175.370 175.023 0.347 18301 768 1 2 . 1 1 71 71 GLU CA C 71 55.899 55.899 54.873 1.026 18301 769 1 2 . 1 1 71 71 GLU CB C 71 30.709 30.709 30.870 -0.161 18301 770 1 2 . 1 1 71 71 GLU H H 71 8.030 8.030 8.726 -0.696 18301 771 1 2 . 1 1 72 72 ALA N N 72 129.745 129.745 127.022 2.723 18301 772 1 2 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.442 0.474 18301 773 1 2 . 1 1 72 72 ALA C C 72 176.245 176.245 175.969 0.276 18301 774 1 2 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.407 -0.738 18301 775 1 2 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.751 0.744 18301 776 1 2 . 1 1 72 72 ALA H H 72 9.580 9.580 8.626 0.954 18301 777 1 2 . 1 1 73 73 ALA N N 73 121.581 121.581 125.291 -3.710 18301 778 1 2 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.850 -0.329 18301 779 1 2 . 1 1 73 73 ALA C C 73 176.162 176.162 176.185 -0.023 18301 780 1 2 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.051 0.692 18301 781 1 2 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.888 0.741 18301 782 1 2 . 1 1 73 73 ALA H H 73 8.633 8.633 8.608 0.025 18301 783 1 2 . 1 1 74 74 ILE N N 74 123.360 123.360 122.759 0.601 18301 784 1 2 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.860 0.134 18301 785 1 2 . 1 1 74 74 ILE C C 74 176.217 176.217 176.740 -0.523 18301 786 1 2 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.418 0.913 18301 787 1 2 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.364 0.947 18301 788 1 2 . 1 1 74 74 ILE H H 74 8.962 8.962 8.662 0.300 18301 789 1 2 . 1 1 75 75 LYS N N 75 130.310 130.310 127.969 2.341 18301 790 1 2 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.219 0.334 18301 791 1 2 . 1 1 75 75 LYS C C 75 175.217 175.217 176.356 -1.139 18301 792 1 2 . 1 1 75 75 LYS CA C 75 56.457 56.457 57.683 -1.226 18301 793 1 2 . 1 1 75 75 LYS CB C 75 33.272 33.272 33.148 0.124 18301 794 1 2 . 1 1 75 75 LYS H H 75 8.842 8.842 8.397 0.445 18301 795 1 3 . 1 1 4 4 MET N N 4 121.245 121.245 120.897 0.348 18301 796 1 3 . 1 1 4 4 MET HA H 4 4.302 4.302 4.022 0.280 18301 797 1 3 . 1 1 4 4 MET C C 4 175.828 175.828 176.417 -0.589 18301 798 1 3 . 1 1 4 4 MET CA C 4 56.414 56.414 56.141 0.273 18301 799 1 3 . 1 1 4 4 MET CB C 4 32.361 32.361 32.256 0.105 18301 800 1 3 . 1 1 4 4 MET H H 4 8.363 8.363 7.328 1.035 18301 801 1 3 . 1 1 5 5 GLN N N 5 121.670 121.670 121.796 -0.126 18301 802 1 3 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.345 -0.095 18301 803 1 3 . 1 1 5 5 GLN C C 5 175.245 175.245 175.589 -0.344 18301 804 1 3 . 1 1 5 5 GLN CA C 5 56.500 56.500 55.937 0.563 18301 805 1 3 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.503 -0.184 18301 806 1 3 . 1 1 5 5 GLN H H 5 8.266 8.266 8.514 -0.248 18301 807 1 3 . 1 1 6 6 GLU N N 6 120.500 120.500 119.174 1.326 18301 808 1 3 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.011 0.766 18301 809 1 3 . 1 1 6 6 GLU C C 6 174.619 174.619 175.140 -0.521 18301 810 1 3 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.418 -1.379 18301 811 1 3 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.396 3.268 18301 812 1 3 . 1 1 6 6 GLU H H 6 8.238 8.238 7.786 0.452 18301 813 1 3 . 1 1 7 7 ALA N N 7 125.790 125.790 126.782 -0.992 18301 814 1 3 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.756 -0.194 18301 815 1 3 . 1 1 7 7 ALA C C 7 173.633 173.633 175.279 -1.646 18301 816 1 3 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.980 -0.710 18301 817 1 3 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.634 0.778 18301 818 1 3 . 1 1 7 7 ALA H H 7 8.838 8.838 8.109 0.729 18301 819 1 3 . 1 1 8 8 VAL N N 8 117.770 117.770 120.233 -2.463 18301 820 1 3 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.949 0.417 18301 821 1 3 . 1 1 8 8 VAL C C 8 176.717 176.717 175.482 1.235 18301 822 1 3 . 1 1 8 8 VAL CA C 8 60.582 60.582 61.137 -0.555 18301 823 1 3 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.623 0.300 18301 824 1 3 . 1 1 8 8 VAL H H 8 8.340 8.340 8.359 -0.019 18301 825 1 3 . 1 1 9 9 VAL N N 9 128.140 128.140 127.145 0.995 18301 826 1 3 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.457 0.368 18301 827 1 3 . 1 1 9 9 VAL C C 9 170.910 170.910 174.350 -3.440 18301 828 1 3 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.804 -1.683 18301 829 1 3 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.958 -0.079 18301 830 1 3 . 1 1 9 9 VAL H H 9 9.560 9.560 9.283 0.277 18301 831 1 3 . 1 1 10 10 LYS N N 10 126.441 126.441 126.425 0.016 18301 832 1 3 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.000 0.396 18301 833 1 3 . 1 1 10 10 LYS C C 10 175.078 175.078 175.109 -0.031 18301 834 1 3 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.949 -0.554 18301 835 1 3 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.931 0.252 18301 836 1 3 . 1 1 10 10 LYS H H 10 8.821 8.821 8.472 0.349 18301 837 1 3 . 1 1 11 11 LEU N N 11 119.930 119.930 123.004 -3.074 18301 838 1 3 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.921 0.450 18301 839 1 3 . 1 1 11 11 LEU C C 11 177.801 177.801 175.766 2.035 18301 840 1 3 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.309 -1.405 18301 841 1 3 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.963 -2.049 18301 842 1 3 . 1 1 11 11 LEU H H 11 9.277 9.277 8.990 0.287 18301 843 1 3 . 1 1 12 12 ARG N N 12 125.200 125.200 122.751 2.449 18301 844 1 3 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.340 0.564 18301 845 1 3 . 1 1 12 12 ARG C C 12 175.773 175.773 174.836 0.937 18301 846 1 3 . 1 1 12 12 ARG CA C 12 55.641 55.641 56.232 -0.591 18301 847 1 3 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.020 -0.007 18301 848 1 3 . 1 1 12 12 ARG H H 12 9.300 9.300 8.392 0.908 18301 849 1 3 . 1 1 13 13 VAL N N 13 126.780 126.780 127.586 -0.806 18301 850 1 3 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.166 0.345 18301 851 1 3 . 1 1 13 13 VAL C C 13 174.564 174.564 175.384 -0.820 18301 852 1 3 . 1 1 13 13 VAL CA C 13 61.785 61.785 61.684 0.101 18301 853 1 3 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.882 0.824 18301 854 1 3 . 1 1 13 13 VAL H H 13 8.110 8.110 7.989 0.121 18301 855 1 3 . 1 1 14 14 GLU N N 14 126.510 126.510 127.629 -1.119 18301 856 1 3 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.444 0.221 18301 857 1 3 . 1 1 14 14 GLU C C 14 176.426 176.426 177.605 -1.179 18301 858 1 3 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.117 -0.734 18301 859 1 3 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.268 1.353 18301 860 1 3 . 1 1 14 14 GLU H H 14 9.100 9.100 8.872 0.228 18301 861 1 3 . 1 1 15 15 GLY N N 15 108.020 108.020 108.287 -0.267 18301 862 1 3 . 1 1 15 15 GLY C C 15 175.884 175.884 175.093 0.791 18301 863 1 3 . 1 1 15 15 GLY CA C 15 44.900 44.900 44.966 -0.066 18301 864 1 3 . 1 1 15 15 GLY H H 15 8.680 8.680 7.897 0.783 18301 865 1 3 . 1 1 16 16 MET N N 16 120.590 120.590 120.215 0.375 18301 866 1 3 . 1 1 16 16 MET HA H 16 4.880 4.880 4.387 0.493 18301 867 1 3 . 1 1 16 16 MET C C 16 177.342 177.342 175.980 1.362 18301 868 1 3 . 1 1 16 16 MET CA C 16 56.672 56.672 56.310 0.362 18301 869 1 3 . 1 1 16 16 MET H H 16 9.033 9.033 7.871 1.162 18301 870 1 3 . 1 1 17 17 THR N N 17 123.321 123.321 116.144 7.177 18301 871 1 3 . 1 1 17 17 THR C C 17 176.231 176.231 174.088 2.143 18301 872 1 3 . 1 1 17 17 THR CA C 17 57.114 57.114 60.382 -3.268 18301 873 1 3 . 1 1 17 17 THR H H 17 8.591 8.591 8.401 0.190 18301 874 1 3 . 1 1 18 18 CYS N N 18 120.560 120.560 117.297 3.263 18301 875 1 3 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.181 0.879 18301 876 1 3 . 1 1 18 18 CYS C C 18 174.467 174.467 174.716 -0.249 18301 877 1 3 . 1 1 18 18 CYS CA C 18 57.500 57.500 60.013 -2.513 18301 878 1 3 . 1 1 18 18 CYS CB C 18 30.996 30.996 27.710 3.285 18301 879 1 3 . 1 1 18 18 CYS H H 18 8.809 8.809 8.330 0.479 18301 880 1 3 . 1 1 20 20 SER N N 20 123.434 123.434 123.717 -0.283 18301 881 1 3 . 1 1 20 20 SER HA H 20 4.461 4.461 4.467 -0.006 18301 882 1 3 . 1 1 20 20 SER C C 20 177.009 177.009 175.106 1.903 18301 883 1 3 . 1 1 20 20 SER CA C 20 62.214 62.214 57.435 4.779 18301 884 1 3 . 1 1 20 20 SER H H 20 8.297 8.297 8.778 -0.481 18301 885 1 3 . 1 1 21 21 CYS N N 21 125.740 125.740 123.273 2.467 18301 886 1 3 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.265 -0.205 18301 887 1 3 . 1 1 21 21 CYS C C 21 177.495 177.495 175.823 1.672 18301 888 1 3 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.665 1.881 18301 889 1 3 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.671 1.129 18301 890 1 3 . 1 1 21 21 CYS H H 21 7.861 7.861 8.406 -0.545 18301 891 1 3 . 1 1 22 22 VAL N N 22 118.130 118.130 119.710 -1.580 18301 892 1 3 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.482 -0.272 18301 893 1 3 . 1 1 22 22 VAL C C 22 177.843 177.843 177.934 -0.091 18301 894 1 3 . 1 1 22 22 VAL CA C 22 66.425 66.425 67.284 -0.859 18301 895 1 3 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.358 0.176 18301 896 1 3 . 1 1 22 22 VAL H H 22 6.860 6.860 8.106 -1.246 18301 897 1 3 . 1 1 23 23 SER N N 23 112.820 112.820 114.205 -1.385 18301 898 1 3 . 1 1 23 23 SER HA H 23 4.220 4.220 4.198 0.022 18301 899 1 3 . 1 1 23 23 SER C C 23 178.162 178.162 176.751 1.411 18301 900 1 3 . 1 1 23 23 SER CA C 23 61.398 61.398 61.666 -0.268 18301 901 1 3 . 1 1 23 23 SER CB C 23 62.550 62.550 62.925 -0.375 18301 902 1 3 . 1 1 23 23 SER H H 23 8.341 8.341 7.814 0.527 18301 903 1 3 . 1 1 24 24 SER N N 24 119.341 119.341 118.151 1.190 18301 904 1 3 . 1 1 24 24 SER HA H 24 4.859 4.859 4.246 0.613 18301 905 1 3 . 1 1 24 24 SER C C 24 176.856 176.856 176.578 0.278 18301 906 1 3 . 1 1 24 24 SER CA C 24 61.570 61.570 61.695 -0.125 18301 907 1 3 . 1 1 24 24 SER CB C 24 62.506 62.506 63.248 -0.742 18301 908 1 3 . 1 1 24 24 SER H H 24 8.286 8.286 7.411 0.875 18301 909 1 3 . 1 1 25 25 ILE N N 25 122.340 122.340 122.268 0.072 18301 910 1 3 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.734 -0.142 18301 911 1 3 . 1 1 25 25 ILE C C 25 177.912 177.912 177.356 0.556 18301 912 1 3 . 1 1 25 25 ILE CA C 25 66.038 66.038 65.010 1.028 18301 913 1 3 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.582 0.903 18301 914 1 3 . 1 1 25 25 ILE H H 25 8.057 8.057 8.467 -0.410 18301 915 1 3 . 1 1 26 26 GLU N N 26 117.081 117.081 120.090 -3.009 18301 916 1 3 . 1 1 26 26 GLU HA H 26 3.555 3.555 3.919 -0.364 18301 917 1 3 . 1 1 26 26 GLU C C 26 178.523 178.523 179.188 -0.665 18301 918 1 3 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.577 1.048 18301 919 1 3 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.350 0.471 18301 920 1 3 . 1 1 26 26 GLU H H 26 8.504 8.504 7.991 0.513 18301 921 1 3 . 1 1 27 27 GLY N N 27 102.731 102.731 106.178 -3.447 18301 922 1 3 . 1 1 27 27 GLY C C 27 175.925 175.925 176.183 -0.258 18301 923 1 3 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.587 0.246 18301 924 1 3 . 1 1 27 27 GLY H H 27 8.231 8.231 7.826 0.405 18301 925 1 3 . 1 1 28 28 LYS N N 28 119.316 119.316 121.900 -2.584 18301 926 1 3 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.168 -0.058 18301 927 1 3 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.431 0.598 18301 928 1 3 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.101 0.815 18301 929 1 3 . 1 1 28 28 LYS H H 28 7.640 7.640 7.605 0.035 18301 930 1 3 . 1 1 29 29 VAL N N 29 118.845 118.845 119.556 -0.711 18301 931 1 3 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.891 -0.441 18301 932 1 3 . 1 1 29 29 VAL C C 29 177.259 177.259 178.254 -0.995 18301 933 1 3 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.540 0.197 18301 934 1 3 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.857 -0.540 18301 935 1 3 . 1 1 29 29 VAL H H 29 8.577 8.577 7.720 0.857 18301 936 1 3 . 1 1 30 30 ARG N N 30 115.480 115.480 117.811 -2.331 18301 937 1 3 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.118 -0.298 18301 938 1 3 . 1 1 30 30 ARG C C 30 176.717 176.717 177.208 -0.491 18301 939 1 3 . 1 1 30 30 ARG CA C 30 58.648 58.648 57.914 0.734 18301 940 1 3 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.612 0.489 18301 941 1 3 . 1 1 30 30 ARG H H 30 8.083 8.083 7.524 0.559 18301 942 1 3 . 1 1 31 31 LYS N N 31 114.395 114.395 116.343 -1.948 18301 943 1 3 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.260 -0.069 18301 944 1 3 . 1 1 31 31 LYS C C 31 176.870 176.870 176.751 0.119 18301 945 1 3 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.535 0.707 18301 946 1 3 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.831 0.093 18301 947 1 3 . 1 1 31 31 LYS H H 31 6.757 6.757 7.628 -0.871 18301 948 1 3 . 1 1 32 32 LEU N N 32 121.290 121.290 122.320 -1.030 18301 949 1 3 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.160 -0.065 18301 950 1 3 . 1 1 32 32 LEU C C 32 177.398 177.398 177.126 0.272 18301 951 1 3 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.165 -0.512 18301 952 1 3 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.988 -0.680 18301 953 1 3 . 1 1 32 32 LEU H H 32 7.386 7.386 7.431 -0.045 18301 954 1 3 . 1 1 33 33 GLN N N 33 124.330 124.330 123.771 0.559 18301 955 1 3 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.226 -0.136 18301 956 1 3 . 1 1 33 33 GLN C C 33 175.661 175.661 177.619 -1.958 18301 957 1 3 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.593 -0.697 18301 958 1 3 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.024 -0.947 18301 959 1 3 . 1 1 33 33 GLN H H 33 8.650 8.650 8.498 0.152 18301 960 1 3 . 1 1 34 34 GLY N N 34 109.990 109.990 107.743 2.247 18301 961 1 3 . 1 1 34 34 GLY C C 34 173.911 173.911 175.256 -1.345 18301 962 1 3 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.582 -0.038 18301 963 1 3 . 1 1 34 34 GLY H H 34 8.759 8.759 8.114 0.645 18301 964 1 3 . 1 1 35 35 VAL N N 35 119.540 119.540 121.642 -2.102 18301 965 1 3 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.993 -0.143 18301 966 1 3 . 1 1 35 35 VAL C C 35 175.759 175.759 176.130 -0.371 18301 967 1 3 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.766 0.038 18301 968 1 3 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.567 -1.141 18301 969 1 3 . 1 1 35 35 VAL H H 35 7.600 7.600 7.803 -0.203 18301 970 1 3 . 1 1 36 36 VAL N N 36 130.030 130.030 124.912 5.118 18301 971 1 3 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.042 -0.130 18301 972 1 3 . 1 1 36 36 VAL C C 36 176.023 176.023 175.907 0.116 18301 973 1 3 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.996 0.204 18301 974 1 3 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.662 1.018 18301 975 1 3 . 1 1 36 36 VAL H H 36 9.141 9.141 8.754 0.387 18301 976 1 3 . 1 1 37 37 ARG N N 37 116.750 116.750 115.208 1.542 18301 977 1 3 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.547 0.094 18301 978 1 3 . 1 1 37 37 ARG C C 37 173.230 173.230 173.187 0.043 18301 979 1 3 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.326 0.255 18301 980 1 3 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.749 -0.812 18301 981 1 3 . 1 1 37 37 ARG H H 37 7.859 7.859 7.708 0.151 18301 982 1 3 . 1 1 38 38 VAL N N 38 119.900 119.900 121.592 -1.692 18301 983 1 3 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.633 0.346 18301 984 1 3 . 1 1 38 38 VAL C C 38 171.841 171.841 174.018 -2.177 18301 985 1 3 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.238 -0.601 18301 986 1 3 . 1 1 38 38 VAL CB C 38 33.359 33.359 33.889 -0.530 18301 987 1 3 . 1 1 38 38 VAL H H 38 8.785 8.785 8.520 0.265 18301 988 1 3 . 1 1 39 39 LYS N N 39 126.750 126.750 129.649 -2.899 18301 989 1 3 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.653 0.157 18301 990 1 3 . 1 1 39 39 LYS C C 39 175.634 175.634 174.329 1.305 18301 991 1 3 . 1 1 39 39 LYS CA C 39 54.438 54.438 53.854 0.584 18301 992 1 3 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.108 1.249 18301 993 1 3 . 1 1 39 39 LYS H H 39 8.360 8.360 8.603 -0.243 18301 994 1 3 . 1 1 40 40 VAL N N 40 131.410 131.410 125.606 5.804 18301 995 1 3 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.294 0.493 18301 996 1 3 . 1 1 40 40 VAL C C 40 173.522 173.522 175.247 -1.725 18301 997 1 3 . 1 1 40 40 VAL CA C 40 60.968 60.968 60.787 0.181 18301 998 1 3 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.789 -1.386 18301 999 1 3 . 1 1 40 40 VAL H H 40 10.183 10.183 8.556 1.627 18301 1000 1 3 . 1 1 41 41 SER N N 41 120.470 120.470 121.209 -0.739 18301 1001 1 3 . 1 1 41 41 SER HA H 41 4.852 4.852 4.825 0.027 18301 1002 1 3 . 1 1 41 41 SER C C 41 175.217 175.217 175.083 0.134 18301 1003 1 3 . 1 1 41 41 SER CA C 41 55.039 55.039 55.853 -0.814 18301 1004 1 3 . 1 1 41 41 SER CB C 41 64.710 64.710 63.418 1.292 18301 1005 1 3 . 1 1 41 41 SER H H 41 8.868 8.868 8.297 0.571 18301 1006 1 3 . 1 1 42 42 LEU N N 42 130.390 130.390 126.140 4.250 18301 1007 1 3 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.437 0.373 18301 1008 1 3 . 1 1 42 42 LEU C C 42 179.982 179.982 177.457 2.525 18301 1009 1 3 . 1 1 42 42 LEU CA C 42 57.875 57.875 57.048 0.827 18301 1010 1 3 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.680 0.350 18301 1011 1 3 . 1 1 42 42 LEU H H 42 8.998 8.998 8.835 0.163 18301 1012 1 3 . 1 1 44 44 ASN N N 44 116.079 116.079 117.855 -1.776 18301 1013 1 3 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.898 -0.054 18301 1014 1 3 . 1 1 44 44 ASN C C 44 173.786 173.786 174.458 -0.672 18301 1015 1 3 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.634 -0.344 18301 1016 1 3 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.129 -0.949 18301 1017 1 3 . 1 1 44 44 ASN H H 44 7.812 7.812 7.486 0.326 18301 1018 1 3 . 1 1 45 45 GLN N N 45 117.658 117.658 114.525 3.133 18301 1019 1 3 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.976 -0.375 18301 1020 1 3 . 1 1 45 45 GLN C C 45 175.314 175.314 173.937 1.377 18301 1021 1 3 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.161 -0.231 18301 1022 1 3 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.244 -0.183 18301 1023 1 3 . 1 1 45 45 GLN H H 45 7.679 7.679 7.807 -0.128 18301 1024 1 3 . 1 1 46 46 GLU N N 46 116.510 116.510 116.121 0.389 18301 1025 1 3 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.843 0.851 18301 1026 1 3 . 1 1 46 46 GLU C C 46 173.869 173.869 173.860 0.009 18301 1027 1 3 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.984 0.411 18301 1028 1 3 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.224 1.307 18301 1029 1 3 . 1 1 46 46 GLU H H 46 7.780 7.780 7.800 -0.020 18301 1030 1 3 . 1 1 47 47 ALA N N 47 124.870 124.870 121.971 2.899 18301 1031 1 3 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.595 0.512 18301 1032 1 3 . 1 1 47 47 ALA C C 47 174.758 174.758 174.948 -0.190 18301 1033 1 3 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.881 -1.083 18301 1034 1 3 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.710 0.366 18301 1035 1 3 . 1 1 47 47 ALA H H 47 9.170 9.170 8.853 0.317 18301 1036 1 3 . 1 1 48 48 VAL N N 48 123.890 123.890 124.530 -0.640 18301 1037 1 3 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.651 -0.079 18301 1038 1 3 . 1 1 48 48 VAL C C 48 176.217 176.217 174.791 1.426 18301 1039 1 3 . 1 1 48 48 VAL CA C 48 62.644 62.644 60.251 2.393 18301 1040 1 3 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.258 -0.725 18301 1041 1 3 . 1 1 48 48 VAL H H 48 8.930 8.930 8.925 0.005 18301 1042 1 3 . 1 1 49 49 ILE N N 49 129.890 129.890 128.593 1.297 18301 1043 1 3 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.451 0.389 18301 1044 1 3 . 1 1 49 49 ILE C C 49 174.619 174.619 174.892 -0.273 18301 1045 1 3 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.474 -0.064 18301 1046 1 3 . 1 1 49 49 ILE CB C 49 40.917 40.917 39.609 1.308 18301 1047 1 3 . 1 1 49 49 ILE H H 49 9.340 9.340 9.322 0.018 18301 1048 1 3 . 1 1 50 50 THR N N 50 125.910 125.910 124.736 1.174 18301 1049 1 3 . 1 1 50 50 THR HA H 50 5.486 5.486 4.771 0.715 18301 1050 1 3 . 1 1 50 50 THR C C 50 174.286 174.286 173.659 0.627 18301 1051 1 3 . 1 1 50 50 THR CA C 50 61.871 61.871 62.699 -0.828 18301 1052 1 3 . 1 1 50 50 THR CB C 50 68.762 68.762 69.457 -0.695 18301 1053 1 3 . 1 1 50 50 THR H H 50 9.225 9.225 9.044 0.181 18301 1054 1 3 . 1 1 51 51 TYR N N 51 127.720 127.720 125.630 2.090 18301 1055 1 3 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.040 0.625 18301 1056 1 3 . 1 1 51 51 TYR C C 51 171.758 171.758 172.847 -1.089 18301 1057 1 3 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.426 -0.301 18301 1058 1 3 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.550 0.994 18301 1059 1 3 . 1 1 51 51 TYR H H 51 9.846 9.846 9.352 0.494 18301 1060 1 3 . 1 1 52 52 GLN N N 52 120.470 120.470 118.088 2.382 18301 1061 1 3 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.600 0.423 18301 1062 1 3 . 1 1 52 52 GLN C C 52 175.286 175.286 173.953 1.333 18301 1063 1 3 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.087 0.902 18301 1064 1 3 . 1 1 52 52 GLN H H 52 9.072 9.072 8.523 0.549 18301 1065 1 3 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.314 -0.596 18301 1066 1 3 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.126 0.277 18301 1067 1 3 . 1 1 54 54 TYR N N 54 114.650 114.650 116.719 -2.069 18301 1068 1 3 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.389 0.012 18301 1069 1 3 . 1 1 54 54 TYR C C 54 175.689 175.689 175.819 -0.130 18301 1070 1 3 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.417 -0.683 18301 1071 1 3 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.974 -1.402 18301 1072 1 3 . 1 1 54 54 TYR H H 54 8.158 8.158 7.994 0.164 18301 1073 1 3 . 1 1 55 55 LEU N N 55 117.788 117.788 117.771 0.017 18301 1074 1 3 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.403 0.009 18301 1075 1 3 . 1 1 55 55 LEU C C 55 175.786 175.786 176.838 -1.052 18301 1076 1 3 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.967 0.072 18301 1077 1 3 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.400 2.469 18301 1078 1 3 . 1 1 55 55 LEU H H 55 7.968 7.968 7.297 0.671 18301 1079 1 3 . 1 1 56 56 ILE N N 56 121.565 121.565 118.375 3.190 18301 1080 1 3 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.388 0.033 18301 1081 1 3 . 1 1 56 56 ILE C C 56 170.396 170.396 174.293 -3.897 18301 1082 1 3 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.389 1.966 18301 1083 1 3 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.577 -0.790 18301 1084 1 3 . 1 1 56 56 ILE H H 56 8.211 8.211 7.931 0.280 18301 1085 1 3 . 1 1 57 57 GLN N N 57 119.400 119.400 124.727 -5.327 18301 1086 1 3 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.861 0.132 18301 1087 1 3 . 1 1 57 57 GLN C C 57 175.911 175.911 174.763 1.148 18301 1088 1 3 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.826 -2.579 18301 1089 1 3 . 1 1 57 57 GLN CB C 57 29.884 29.884 28.598 1.286 18301 1090 1 3 . 1 1 57 57 GLN H H 57 7.953 7.953 8.664 -0.711 18301 1091 1 3 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.629 0.451 18301 1092 1 3 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.893 -0.093 18301 1093 1 3 . 1 1 59 59 GLU N N 59 116.700 116.700 119.180 -2.480 18301 1094 1 3 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.965 -0.388 18301 1095 1 3 . 1 1 59 59 GLU C C 59 177.634 177.634 178.170 -0.536 18301 1096 1 3 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.823 1.532 18301 1097 1 3 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.974 -0.567 18301 1098 1 3 . 1 1 59 59 GLU H H 59 9.588 9.588 8.627 0.961 18301 1099 1 3 . 1 1 60 60 ASP N N 60 116.670 116.670 118.257 -1.587 18301 1100 1 3 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.402 -0.131 18301 1101 1 3 . 1 1 60 60 ASP C C 60 178.898 178.898 178.492 0.406 18301 1102 1 3 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.335 -0.448 18301 1103 1 3 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.494 0.232 18301 1104 1 3 . 1 1 60 60 ASP H H 60 6.994 6.994 8.321 -1.327 18301 1105 1 3 . 1 1 61 61 LEU N N 61 120.023 120.023 118.804 1.219 18301 1106 1 3 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.206 -0.447 18301 1107 1 3 . 1 1 61 61 LEU C C 61 177.009 177.009 178.159 -1.150 18301 1108 1 3 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.662 0.557 18301 1109 1 3 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.388 0.177 18301 1110 1 3 . 1 1 61 61 LEU H H 61 7.220 7.220 7.487 -0.267 18301 1111 1 3 . 1 1 62 62 ARG N N 62 117.758 117.758 119.554 -1.796 18301 1112 1 3 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.792 0.918 18301 1113 1 3 . 1 1 62 62 ARG C C 62 177.676 177.676 177.940 -0.264 18301 1114 1 3 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.859 -0.437 18301 1115 1 3 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.697 -0.726 18301 1116 1 3 . 1 1 62 62 ARG H H 62 8.034 8.034 7.910 0.124 18301 1117 1 3 . 1 1 63 63 ASP N N 63 119.490 119.490 117.579 1.911 18301 1118 1 3 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.400 -0.012 18301 1119 1 3 . 1 1 63 63 ASP C C 63 178.190 178.190 178.236 -0.046 18301 1120 1 3 . 1 1 63 63 ASP CA C 63 57.660 57.660 56.872 0.788 18301 1121 1 3 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.711 -1.618 18301 1122 1 3 . 1 1 63 63 ASP H H 63 8.187 8.187 7.780 0.407 18301 1123 1 3 . 1 1 64 64 HIS N N 64 119.289 119.289 119.748 -0.459 18301 1124 1 3 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.309 0.050 18301 1125 1 3 . 1 1 64 64 HIS C C 64 178.607 178.607 177.530 1.077 18301 1126 1 3 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.943 1.381 18301 1127 1 3 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.492 0.908 18301 1128 1 3 . 1 1 64 64 HIS H H 64 8.250 8.250 7.477 0.773 18301 1129 1 3 . 1 1 65 65 VAL N N 65 119.590 119.590 118.075 1.515 18301 1130 1 3 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.366 0.356 18301 1131 1 3 . 1 1 65 65 VAL CA C 65 66.940 66.940 65.329 1.611 18301 1132 1 3 . 1 1 65 65 VAL CB C 65 31.813 31.813 30.629 1.184 18301 1133 1 3 . 1 1 65 65 VAL H H 65 7.638 7.638 7.761 -0.123 18301 1134 1 3 . 1 1 66 66 ASN N N 66 121.680 121.680 118.195 3.485 18301 1135 1 3 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.450 0.700 18301 1136 1 3 . 1 1 66 66 ASN C C 66 180.454 180.454 177.154 3.300 18301 1137 1 3 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.972 -0.290 18301 1138 1 3 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.596 -0.610 18301 1139 1 3 . 1 1 66 66 ASN H H 66 8.461 8.461 7.646 0.815 18301 1140 1 3 . 1 1 67 67 ASP N N 67 120.750 120.750 119.660 1.090 18301 1141 1 3 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.469 -0.029 18301 1142 1 3 . 1 1 67 67 ASP C C 67 177.537 177.537 177.391 0.146 18301 1143 1 3 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.403 0.225 18301 1144 1 3 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.733 -0.250 18301 1145 1 3 . 1 1 67 67 ASP H H 67 8.385 8.385 7.946 0.439 18301 1146 1 3 . 1 1 68 68 MET N N 68 116.510 116.510 116.246 0.264 18301 1147 1 3 . 1 1 68 68 MET HA H 68 4.287 4.287 4.359 -0.072 18301 1148 1 3 . 1 1 68 68 MET C C 68 176.064 176.064 177.557 -1.493 18301 1149 1 3 . 1 1 68 68 MET CA C 68 56.672 56.672 56.612 0.060 18301 1150 1 3 . 1 1 68 68 MET CB C 68 33.933 33.933 33.327 0.606 18301 1151 1 3 . 1 1 68 68 MET H H 68 7.680 7.680 7.376 0.304 18301 1152 1 3 . 1 1 69 69 GLY N N 69 105.290 105.290 107.647 -2.357 18301 1153 1 3 . 1 1 69 69 GLY C C 69 173.640 173.640 174.077 -0.437 18301 1154 1 3 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.316 -0.560 18301 1155 1 3 . 1 1 69 69 GLY H H 69 8.049 8.049 8.174 -0.125 18301 1156 1 3 . 1 1 70 70 PHE N N 70 118.850 118.850 118.814 0.036 18301 1157 1 3 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.754 -0.018 18301 1158 1 3 . 1 1 70 70 PHE C C 70 172.772 172.772 175.762 -2.990 18301 1159 1 3 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.855 1.004 18301 1160 1 3 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.230 0.340 18301 1161 1 3 . 1 1 70 70 PHE H H 70 6.689 6.689 7.624 -0.935 18301 1162 1 3 . 1 1 71 71 GLU N N 71 118.550 118.550 119.879 -1.329 18301 1163 1 3 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.356 0.354 18301 1164 1 3 . 1 1 71 71 GLU C C 71 175.370 175.370 176.179 -0.809 18301 1165 1 3 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.326 0.573 18301 1166 1 3 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.844 0.865 18301 1167 1 3 . 1 1 71 71 GLU H H 71 8.030 8.030 8.849 -0.819 18301 1168 1 3 . 1 1 72 72 ALA N N 72 129.745 129.745 122.324 7.421 18301 1169 1 3 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.219 1.697 18301 1170 1 3 . 1 1 72 72 ALA C C 72 176.245 176.245 176.543 -0.298 18301 1171 1 3 . 1 1 72 72 ALA CA C 72 49.669 49.669 53.044 -3.374 18301 1172 1 3 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.219 3.276 18301 1173 1 3 . 1 1 72 72 ALA H H 72 9.580 9.580 7.839 1.741 18301 1174 1 3 . 1 1 73 73 ALA N N 73 121.581 121.581 126.130 -4.549 18301 1175 1 3 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.692 -0.171 18301 1176 1 3 . 1 1 73 73 ALA C C 73 176.162 176.162 175.462 0.700 18301 1177 1 3 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.094 0.649 18301 1178 1 3 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.073 0.556 18301 1179 1 3 . 1 1 73 73 ALA H H 73 8.633 8.633 8.238 0.395 18301 1180 1 3 . 1 1 74 74 ILE N N 74 123.360 123.360 121.180 2.180 18301 1181 1 3 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.894 0.100 18301 1182 1 3 . 1 1 74 74 ILE C C 74 176.217 176.217 177.324 -1.107 18301 1183 1 3 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.294 1.037 18301 1184 1 3 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.798 0.513 18301 1185 1 3 . 1 1 74 74 ILE H H 74 8.962 8.962 8.535 0.427 18301 1186 1 3 . 1 1 75 75 LYS N N 75 130.310 130.310 127.933 2.377 18301 1187 1 3 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.951 0.602 18301 1188 1 3 . 1 1 75 75 LYS C C 75 175.217 175.217 176.014 -0.797 18301 1189 1 3 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.354 -1.897 18301 1190 1 3 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.379 0.893 18301 1191 1 3 . 1 1 75 75 LYS H H 75 8.842 8.842 8.781 0.061 18301 1192 1 4 . 1 1 4 4 MET N N 4 121.245 121.245 116.567 4.678 18301 1193 1 4 . 1 1 4 4 MET HA H 4 4.302 4.302 4.572 -0.270 18301 1194 1 4 . 1 1 4 4 MET C C 4 175.828 175.828 176.487 -0.659 18301 1195 1 4 . 1 1 4 4 MET CA C 4 56.414 56.414 56.572 -0.158 18301 1196 1 4 . 1 1 4 4 MET CB C 4 32.361 32.361 33.344 -0.983 18301 1197 1 4 . 1 1 4 4 MET H H 4 8.363 8.363 7.822 0.541 18301 1198 1 4 . 1 1 5 5 GLN N N 5 121.670 121.670 119.186 2.484 18301 1199 1 4 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.174 0.076 18301 1200 1 4 . 1 1 5 5 GLN C C 5 175.245 175.245 175.492 -0.247 18301 1201 1 4 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.853 -0.353 18301 1202 1 4 . 1 1 5 5 GLN CB C 5 29.319 29.319 27.896 1.423 18301 1203 1 4 . 1 1 5 5 GLN H H 5 8.266 8.266 8.449 -0.183 18301 1204 1 4 . 1 1 6 6 GLU N N 6 120.500 120.500 119.422 1.078 18301 1205 1 4 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.132 0.645 18301 1206 1 4 . 1 1 6 6 GLU C C 6 174.619 174.619 175.026 -0.407 18301 1207 1 4 . 1 1 6 6 GLU CA C 6 55.039 55.039 55.729 -0.690 18301 1208 1 4 . 1 1 6 6 GLU CB C 6 32.664 32.664 30.057 2.607 18301 1209 1 4 . 1 1 6 6 GLU H H 6 8.238 8.238 7.649 0.589 18301 1210 1 4 . 1 1 7 7 ALA N N 7 125.790 125.790 126.729 -0.939 18301 1211 1 4 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.784 -0.222 18301 1212 1 4 . 1 1 7 7 ALA C C 7 173.633 173.633 175.615 -1.982 18301 1213 1 4 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.629 -0.359 18301 1214 1 4 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.918 0.494 18301 1215 1 4 . 1 1 7 7 ALA H H 7 8.838 8.838 8.097 0.741 18301 1216 1 4 . 1 1 8 8 VAL N N 8 117.770 117.770 120.659 -2.889 18301 1217 1 4 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.934 0.432 18301 1218 1 4 . 1 1 8 8 VAL C C 8 176.717 176.717 175.231 1.486 18301 1219 1 4 . 1 1 8 8 VAL CA C 8 60.582 60.582 61.066 -0.484 18301 1220 1 4 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.176 0.747 18301 1221 1 4 . 1 1 8 8 VAL H H 8 8.340 8.340 8.379 -0.039 18301 1222 1 4 . 1 1 9 9 VAL N N 9 128.140 128.140 127.688 0.452 18301 1223 1 4 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.473 0.352 18301 1224 1 4 . 1 1 9 9 VAL C C 9 170.910 170.910 174.370 -3.460 18301 1225 1 4 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.950 -0.829 18301 1226 1 4 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.234 0.645 18301 1227 1 4 . 1 1 9 9 VAL H H 9 9.560 9.560 9.242 0.318 18301 1228 1 4 . 1 1 10 10 LYS N N 10 126.441 126.441 126.603 -0.162 18301 1229 1 4 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.049 0.347 18301 1230 1 4 . 1 1 10 10 LYS C C 10 175.078 175.078 174.999 0.079 18301 1231 1 4 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.601 -0.206 18301 1232 1 4 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.374 0.810 18301 1233 1 4 . 1 1 10 10 LYS H H 10 8.821 8.821 8.477 0.344 18301 1234 1 4 . 1 1 11 11 LEU N N 11 119.930 119.930 123.753 -3.823 18301 1235 1 4 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.785 0.586 18301 1236 1 4 . 1 1 11 11 LEU C C 11 177.801 177.801 176.014 1.787 18301 1237 1 4 . 1 1 11 11 LEU CA C 11 51.903 51.903 54.051 -2.148 18301 1238 1 4 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.771 -1.857 18301 1239 1 4 . 1 1 11 11 LEU H H 11 9.277 9.277 9.144 0.133 18301 1240 1 4 . 1 1 12 12 ARG N N 12 125.200 125.200 122.256 2.944 18301 1241 1 4 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.322 0.582 18301 1242 1 4 . 1 1 12 12 ARG C C 12 175.773 175.773 175.278 0.495 18301 1243 1 4 . 1 1 12 12 ARG CA C 12 55.641 55.641 56.401 -0.760 18301 1244 1 4 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.128 -0.115 18301 1245 1 4 . 1 1 12 12 ARG H H 12 9.300 9.300 8.813 0.487 18301 1246 1 4 . 1 1 13 13 VAL N N 13 126.780 126.780 123.909 2.871 18301 1247 1 4 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.581 -0.070 18301 1248 1 4 . 1 1 13 13 VAL C C 13 174.564 174.564 176.075 -1.511 18301 1249 1 4 . 1 1 13 13 VAL CA C 13 61.785 61.785 61.414 0.371 18301 1250 1 4 . 1 1 13 13 VAL CB C 13 33.706 33.706 33.206 0.500 18301 1251 1 4 . 1 1 13 13 VAL H H 13 8.110 8.110 7.865 0.245 18301 1252 1 4 . 1 1 14 14 GLU N N 14 126.510 126.510 125.472 1.038 18301 1253 1 4 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.457 0.208 18301 1254 1 4 . 1 1 14 14 GLU C C 14 176.426 176.426 177.557 -1.131 18301 1255 1 4 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.578 -1.195 18301 1256 1 4 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.439 1.182 18301 1257 1 4 . 1 1 14 14 GLU H H 14 9.100 9.100 8.578 0.522 18301 1258 1 4 . 1 1 15 15 GLY N N 15 108.020 108.020 107.607 0.413 18301 1259 1 4 . 1 1 15 15 GLY C C 15 175.884 175.884 174.094 1.790 18301 1260 1 4 . 1 1 15 15 GLY CA C 15 44.900 44.900 44.579 0.321 18301 1261 1 4 . 1 1 15 15 GLY H H 15 8.680 8.680 8.483 0.197 18301 1262 1 4 . 1 1 16 16 MET N N 16 120.590 120.590 118.382 2.208 18301 1263 1 4 . 1 1 16 16 MET HA H 16 4.880 4.880 4.126 0.754 18301 1264 1 4 . 1 1 16 16 MET C C 16 177.342 177.342 175.769 1.573 18301 1265 1 4 . 1 1 16 16 MET CA C 16 56.672 56.672 56.529 0.143 18301 1266 1 4 . 1 1 16 16 MET H H 16 9.033 9.033 7.571 1.462 18301 1267 1 4 . 1 1 17 17 THR N N 17 123.321 123.321 110.728 12.593 18301 1268 1 4 . 1 1 17 17 THR C C 17 176.231 176.231 173.674 2.557 18301 1269 1 4 . 1 1 17 17 THR CA C 17 57.114 57.114 63.699 -6.585 18301 1270 1 4 . 1 1 17 17 THR H H 17 8.591 8.591 8.451 0.140 18301 1271 1 4 . 1 1 18 18 CYS N N 18 120.560 120.560 119.071 1.489 18301 1272 1 4 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.469 0.591 18301 1273 1 4 . 1 1 18 18 CYS C C 18 174.467 174.467 174.283 0.184 18301 1274 1 4 . 1 1 18 18 CYS CA C 18 57.500 57.500 59.357 -1.857 18301 1275 1 4 . 1 1 18 18 CYS CB C 18 30.996 30.996 29.694 1.302 18301 1276 1 4 . 1 1 18 18 CYS H H 18 8.809 8.809 8.108 0.701 18301 1277 1 4 . 1 1 20 20 SER N N 20 123.434 123.434 114.218 9.216 18301 1278 1 4 . 1 1 20 20 SER HA H 20 4.461 4.461 4.437 0.024 18301 1279 1 4 . 1 1 20 20 SER C C 20 177.009 177.009 175.422 1.587 18301 1280 1 4 . 1 1 20 20 SER CA C 20 62.214 62.214 58.854 3.360 18301 1281 1 4 . 1 1 20 20 SER H H 20 8.297 8.297 8.378 -0.081 18301 1282 1 4 . 1 1 21 21 CYS N N 21 125.740 125.740 121.131 4.609 18301 1283 1 4 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.265 -0.205 18301 1284 1 4 . 1 1 21 21 CYS C C 21 177.495 177.495 176.231 1.264 18301 1285 1 4 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.237 2.309 18301 1286 1 4 . 1 1 21 21 CYS CB C 21 28.800 28.800 25.976 2.824 18301 1287 1 4 . 1 1 21 21 CYS H H 21 7.861 7.861 8.495 -0.634 18301 1288 1 4 . 1 1 22 22 VAL N N 22 118.130 118.130 121.234 -3.104 18301 1289 1 4 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.672 -0.462 18301 1290 1 4 . 1 1 22 22 VAL C C 22 177.843 177.843 178.241 -0.398 18301 1291 1 4 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.516 -0.091 18301 1292 1 4 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.185 0.349 18301 1293 1 4 . 1 1 22 22 VAL H H 22 6.860 6.860 8.083 -1.223 18301 1294 1 4 . 1 1 23 23 SER N N 23 112.820 112.820 114.003 -1.183 18301 1295 1 4 . 1 1 23 23 SER HA H 23 4.220 4.220 4.210 0.010 18301 1296 1 4 . 1 1 23 23 SER C C 23 178.162 178.162 176.786 1.376 18301 1297 1 4 . 1 1 23 23 SER CA C 23 61.398 61.398 61.835 -0.437 18301 1298 1 4 . 1 1 23 23 SER CB C 23 62.550 62.550 62.754 -0.204 18301 1299 1 4 . 1 1 23 23 SER H H 23 8.341 8.341 7.762 0.579 18301 1300 1 4 . 1 1 24 24 SER N N 24 119.341 119.341 118.537 0.804 18301 1301 1 4 . 1 1 24 24 SER HA H 24 4.859 4.859 4.223 0.636 18301 1302 1 4 . 1 1 24 24 SER C C 24 176.856 176.856 176.729 0.127 18301 1303 1 4 . 1 1 24 24 SER CA C 24 61.570 61.570 62.040 -0.470 18301 1304 1 4 . 1 1 24 24 SER CB C 24 62.506 62.506 63.410 -0.904 18301 1305 1 4 . 1 1 24 24 SER H H 24 8.286 8.286 7.441 0.845 18301 1306 1 4 . 1 1 25 25 ILE N N 25 122.340 122.340 121.759 0.581 18301 1307 1 4 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.881 -0.289 18301 1308 1 4 . 1 1 25 25 ILE C C 25 177.912 177.912 177.892 0.020 18301 1309 1 4 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.846 1.192 18301 1310 1 4 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.868 0.617 18301 1311 1 4 . 1 1 25 25 ILE H H 25 8.057 8.057 8.515 -0.458 18301 1312 1 4 . 1 1 26 26 GLU N N 26 117.081 117.081 119.908 -2.827 18301 1313 1 4 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.040 -0.485 18301 1314 1 4 . 1 1 26 26 GLU C C 26 178.523 178.523 179.077 -0.554 18301 1315 1 4 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.777 0.848 18301 1316 1 4 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.330 0.491 18301 1317 1 4 . 1 1 26 26 GLU H H 26 8.504 8.504 7.777 0.727 18301 1318 1 4 . 1 1 27 27 GLY N N 27 102.731 102.731 106.662 -3.931 18301 1319 1 4 . 1 1 27 27 GLY C C 27 175.925 175.925 176.301 -0.376 18301 1320 1 4 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.850 -0.017 18301 1321 1 4 . 1 1 27 27 GLY H H 27 8.231 8.231 7.783 0.448 18301 1322 1 4 . 1 1 28 28 LYS N N 28 119.316 119.316 120.885 -1.569 18301 1323 1 4 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.179 -0.069 18301 1324 1 4 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.443 0.586 18301 1325 1 4 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.033 0.883 18301 1326 1 4 . 1 1 28 28 LYS H H 28 7.640 7.640 7.386 0.254 18301 1327 1 4 . 1 1 29 29 VAL N N 29 118.845 118.845 117.959 0.886 18301 1328 1 4 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.754 -0.304 18301 1329 1 4 . 1 1 29 29 VAL C C 29 177.259 177.259 178.494 -1.235 18301 1330 1 4 . 1 1 29 29 VAL CA C 29 65.737 65.737 66.395 -0.658 18301 1331 1 4 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.237 0.080 18301 1332 1 4 . 1 1 29 29 VAL H H 29 8.577 8.577 7.569 1.008 18301 1333 1 4 . 1 1 30 30 ARG N N 30 115.480 115.480 117.408 -1.928 18301 1334 1 4 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.100 -0.280 18301 1335 1 4 . 1 1 30 30 ARG C C 30 176.717 176.717 177.323 -0.606 18301 1336 1 4 . 1 1 30 30 ARG CA C 30 58.648 58.648 57.992 0.656 18301 1337 1 4 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.713 0.388 18301 1338 1 4 . 1 1 30 30 ARG H H 30 8.083 8.083 7.704 0.379 18301 1339 1 4 . 1 1 31 31 LYS N N 31 114.395 114.395 116.442 -2.047 18301 1340 1 4 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.268 -0.077 18301 1341 1 4 . 1 1 31 31 LYS C C 31 176.870 176.870 177.009 -0.139 18301 1342 1 4 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.624 0.618 18301 1343 1 4 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.937 -0.013 18301 1344 1 4 . 1 1 31 31 LYS H H 31 6.757 6.757 7.769 -1.012 18301 1345 1 4 . 1 1 32 32 LEU N N 32 121.290 121.290 121.819 -0.529 18301 1346 1 4 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.164 -0.069 18301 1347 1 4 . 1 1 32 32 LEU C C 32 177.398 177.398 177.350 0.048 18301 1348 1 4 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.068 -0.415 18301 1349 1 4 . 1 1 32 32 LEU CB C 32 41.308 41.308 42.042 -0.734 18301 1350 1 4 . 1 1 32 32 LEU H H 32 7.386 7.386 7.631 -0.245 18301 1351 1 4 . 1 1 33 33 GLN N N 33 124.330 124.330 122.768 1.562 18301 1352 1 4 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.255 -0.165 18301 1353 1 4 . 1 1 33 33 GLN C C 33 175.661 175.661 176.523 -0.862 18301 1354 1 4 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.172 -0.277 18301 1355 1 4 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.803 -0.726 18301 1356 1 4 . 1 1 33 33 GLN H H 33 8.650 8.650 8.488 0.162 18301 1357 1 4 . 1 1 34 34 GLY N N 34 109.990 109.990 107.624 2.366 18301 1358 1 4 . 1 1 34 34 GLY C C 34 173.911 173.911 175.094 -1.183 18301 1359 1 4 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.779 0.765 18301 1360 1 4 . 1 1 34 34 GLY H H 34 8.759 8.759 7.865 0.894 18301 1361 1 4 . 1 1 35 35 VAL N N 35 119.540 119.540 121.902 -2.362 18301 1362 1 4 . 1 1 35 35 VAL HA H 35 3.850 3.850 4.008 -0.158 18301 1363 1 4 . 1 1 35 35 VAL C C 35 175.759 175.759 176.423 -0.664 18301 1364 1 4 . 1 1 35 35 VAL CA C 35 63.803 63.803 64.032 -0.229 18301 1365 1 4 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.434 -1.008 18301 1366 1 4 . 1 1 35 35 VAL H H 35 7.600 7.600 7.868 -0.268 18301 1367 1 4 . 1 1 36 36 VAL N N 36 130.030 130.030 126.550 3.480 18301 1368 1 4 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.024 -0.112 18301 1369 1 4 . 1 1 36 36 VAL C C 36 176.023 176.023 175.747 0.276 18301 1370 1 4 . 1 1 36 36 VAL CA C 36 64.200 64.200 64.413 -0.213 18301 1371 1 4 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.805 0.875 18301 1372 1 4 . 1 1 36 36 VAL H H 36 9.141 9.141 8.813 0.328 18301 1373 1 4 . 1 1 37 37 ARG N N 37 116.750 116.750 114.945 1.805 18301 1374 1 4 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.556 0.085 18301 1375 1 4 . 1 1 37 37 ARG C C 37 173.230 173.230 173.522 -0.292 18301 1376 1 4 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.379 0.202 18301 1377 1 4 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.672 -0.735 18301 1378 1 4 . 1 1 37 37 ARG H H 37 7.859 7.859 7.737 0.122 18301 1379 1 4 . 1 1 38 38 VAL N N 38 119.900 119.900 117.381 2.519 18301 1380 1 4 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.934 0.045 18301 1381 1 4 . 1 1 38 38 VAL C C 38 171.841 171.841 174.261 -2.420 18301 1382 1 4 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.540 -0.903 18301 1383 1 4 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.238 -0.879 18301 1384 1 4 . 1 1 38 38 VAL H H 38 8.785 8.785 8.484 0.301 18301 1385 1 4 . 1 1 39 39 LYS N N 39 126.750 126.750 128.309 -1.559 18301 1386 1 4 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.710 0.100 18301 1387 1 4 . 1 1 39 39 LYS C C 39 175.634 175.634 174.704 0.930 18301 1388 1 4 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.991 -0.553 18301 1389 1 4 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.971 0.386 18301 1390 1 4 . 1 1 39 39 LYS H H 39 8.360 8.360 8.535 -0.175 18301 1391 1 4 . 1 1 40 40 VAL N N 40 131.410 131.410 126.089 5.321 18301 1392 1 4 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.397 0.390 18301 1393 1 4 . 1 1 40 40 VAL C C 40 173.522 173.522 175.102 -1.580 18301 1394 1 4 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.520 -0.552 18301 1395 1 4 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.971 -1.567 18301 1396 1 4 . 1 1 40 40 VAL H H 40 10.183 10.183 8.591 1.592 18301 1397 1 4 . 1 1 41 41 SER N N 41 120.470 120.470 121.578 -1.108 18301 1398 1 4 . 1 1 41 41 SER HA H 41 4.852 4.852 4.766 0.086 18301 1399 1 4 . 1 1 41 41 SER C C 41 175.217 175.217 174.363 0.854 18301 1400 1 4 . 1 1 41 41 SER CA C 41 55.039 55.039 56.314 -1.275 18301 1401 1 4 . 1 1 41 41 SER CB C 41 64.710 64.710 63.805 0.905 18301 1402 1 4 . 1 1 41 41 SER H H 41 8.868 8.868 8.384 0.484 18301 1403 1 4 . 1 1 42 42 LEU N N 42 130.390 130.390 129.598 0.792 18301 1404 1 4 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.210 0.600 18301 1405 1 4 . 1 1 42 42 LEU C C 42 179.982 179.982 177.558 2.424 18301 1406 1 4 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.893 0.982 18301 1407 1 4 . 1 1 42 42 LEU CB C 42 42.030 42.030 42.306 -0.276 18301 1408 1 4 . 1 1 42 42 LEU H H 42 8.998 8.998 8.930 0.068 18301 1409 1 4 . 1 1 44 44 ASN N N 44 116.079 116.079 117.794 -1.715 18301 1410 1 4 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.836 0.008 18301 1411 1 4 . 1 1 44 44 ASN C C 44 173.786 173.786 174.561 -0.775 18301 1412 1 4 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.519 -0.229 18301 1413 1 4 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.130 -0.950 18301 1414 1 4 . 1 1 44 44 ASN H H 44 7.812 7.812 7.458 0.354 18301 1415 1 4 . 1 1 45 45 GLN N N 45 117.658 117.658 115.328 2.330 18301 1416 1 4 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.942 -0.341 18301 1417 1 4 . 1 1 45 45 GLN C C 45 175.314 175.314 173.853 1.461 18301 1418 1 4 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.243 -0.313 18301 1419 1 4 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.350 -0.289 18301 1420 1 4 . 1 1 45 45 GLN H H 45 7.679 7.679 7.787 -0.108 18301 1421 1 4 . 1 1 46 46 GLU N N 46 116.510 116.510 116.191 0.319 18301 1422 1 4 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.751 0.943 18301 1423 1 4 . 1 1 46 46 GLU C C 46 173.869 173.869 173.792 0.077 18301 1424 1 4 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.931 0.464 18301 1425 1 4 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.167 1.363 18301 1426 1 4 . 1 1 46 46 GLU H H 46 7.780 7.780 7.833 -0.053 18301 1427 1 4 . 1 1 47 47 ALA N N 47 124.870 124.870 122.298 2.572 18301 1428 1 4 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.680 0.427 18301 1429 1 4 . 1 1 47 47 ALA C C 47 174.758 174.758 174.955 -0.197 18301 1430 1 4 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.871 -1.073 18301 1431 1 4 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.731 0.345 18301 1432 1 4 . 1 1 47 47 ALA H H 47 9.170 9.170 8.855 0.315 18301 1433 1 4 . 1 1 48 48 VAL N N 48 123.890 123.890 124.880 -0.990 18301 1434 1 4 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.528 0.044 18301 1435 1 4 . 1 1 48 48 VAL C C 48 176.217 176.217 174.849 1.368 18301 1436 1 4 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.862 0.782 18301 1437 1 4 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.872 -1.339 18301 1438 1 4 . 1 1 48 48 VAL H H 48 8.930 8.930 8.914 0.016 18301 1439 1 4 . 1 1 49 49 ILE N N 49 129.890 129.890 129.055 0.835 18301 1440 1 4 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.452 0.388 18301 1441 1 4 . 1 1 49 49 ILE C C 49 174.619 174.619 174.938 -0.319 18301 1442 1 4 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.356 0.054 18301 1443 1 4 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.300 0.617 18301 1444 1 4 . 1 1 49 49 ILE H H 49 9.340 9.340 9.309 0.031 18301 1445 1 4 . 1 1 50 50 THR N N 50 125.910 125.910 124.597 1.313 18301 1446 1 4 . 1 1 50 50 THR HA H 50 5.486 5.486 4.805 0.681 18301 1447 1 4 . 1 1 50 50 THR C C 50 174.286 174.286 173.946 0.340 18301 1448 1 4 . 1 1 50 50 THR CA C 50 61.871 61.871 61.499 0.372 18301 1449 1 4 . 1 1 50 50 THR CB C 50 68.762 68.762 68.962 -0.200 18301 1450 1 4 . 1 1 50 50 THR H H 50 9.225 9.225 8.987 0.238 18301 1451 1 4 . 1 1 51 51 TYR N N 51 127.720 127.720 125.575 2.145 18301 1452 1 4 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.998 0.667 18301 1453 1 4 . 1 1 51 51 TYR C C 51 171.758 171.758 172.893 -1.135 18301 1454 1 4 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.440 -0.314 18301 1455 1 4 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.723 0.821 18301 1456 1 4 . 1 1 51 51 TYR H H 51 9.846 9.846 9.389 0.457 18301 1457 1 4 . 1 1 52 52 GLN N N 52 120.470 120.470 118.241 2.229 18301 1458 1 4 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.612 0.411 18301 1459 1 4 . 1 1 52 52 GLN C C 52 175.286 175.286 174.031 1.255 18301 1460 1 4 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.005 0.984 18301 1461 1 4 . 1 1 52 52 GLN H H 52 9.072 9.072 8.522 0.550 18301 1462 1 4 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.429 -0.711 18301 1463 1 4 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.006 0.397 18301 1464 1 4 . 1 1 54 54 TYR N N 54 114.650 114.650 117.521 -2.871 18301 1465 1 4 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.472 -0.071 18301 1466 1 4 . 1 1 54 54 TYR C C 54 175.689 175.689 175.249 0.440 18301 1467 1 4 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.999 -0.265 18301 1468 1 4 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.854 -1.282 18301 1469 1 4 . 1 1 54 54 TYR H H 54 8.158 8.158 8.225 -0.067 18301 1470 1 4 . 1 1 55 55 LEU N N 55 117.788 117.788 117.882 -0.094 18301 1471 1 4 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.247 0.165 18301 1472 1 4 . 1 1 55 55 LEU C C 55 175.786 175.786 176.655 -0.869 18301 1473 1 4 . 1 1 55 55 LEU CA C 55 55.039 55.039 55.237 -0.198 18301 1474 1 4 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.239 2.630 18301 1475 1 4 . 1 1 55 55 LEU H H 55 7.968 7.968 7.255 0.713 18301 1476 1 4 . 1 1 56 56 ILE N N 56 121.565 121.565 117.420 4.145 18301 1477 1 4 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.388 0.033 18301 1478 1 4 . 1 1 56 56 ILE C C 56 170.396 170.396 174.119 -3.723 18301 1479 1 4 . 1 1 56 56 ILE CA C 56 61.355 61.355 58.962 2.393 18301 1480 1 4 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.728 -0.941 18301 1481 1 4 . 1 1 56 56 ILE H H 56 8.211 8.211 7.855 0.356 18301 1482 1 4 . 1 1 57 57 GLN N N 57 119.400 119.400 124.802 -5.402 18301 1483 1 4 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.857 0.136 18301 1484 1 4 . 1 1 57 57 GLN C C 57 175.911 175.911 174.949 0.962 18301 1485 1 4 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.383 -2.136 18301 1486 1 4 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.330 0.554 18301 1487 1 4 . 1 1 57 57 GLN H H 57 7.953 7.953 8.730 -0.777 18301 1488 1 4 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.572 0.508 18301 1489 1 4 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.850 -0.050 18301 1490 1 4 . 1 1 59 59 GLU N N 59 116.700 116.700 118.521 -1.821 18301 1491 1 4 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.969 -0.392 18301 1492 1 4 . 1 1 59 59 GLU C C 59 177.634 177.634 178.414 -0.780 18301 1493 1 4 . 1 1 59 59 GLU CA C 59 61.355 61.355 60.039 1.316 18301 1494 1 4 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.725 -0.318 18301 1495 1 4 . 1 1 59 59 GLU H H 59 9.588 9.588 8.623 0.965 18301 1496 1 4 . 1 1 60 60 ASP N N 60 116.670 116.670 118.700 -2.030 18301 1497 1 4 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.480 -0.209 18301 1498 1 4 . 1 1 60 60 ASP C C 60 178.898 178.898 178.687 0.211 18301 1499 1 4 . 1 1 60 60 ASP CA C 60 56.887 56.887 56.833 0.054 18301 1500 1 4 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.520 0.206 18301 1501 1 4 . 1 1 60 60 ASP H H 60 6.994 6.994 8.264 -1.270 18301 1502 1 4 . 1 1 61 61 LEU N N 61 120.023 120.023 118.636 1.387 18301 1503 1 4 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.200 -0.441 18301 1504 1 4 . 1 1 61 61 LEU C C 61 177.009 177.009 178.266 -1.257 18301 1505 1 4 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.534 0.685 18301 1506 1 4 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.259 0.306 18301 1507 1 4 . 1 1 61 61 LEU H H 61 7.220 7.220 7.502 -0.282 18301 1508 1 4 . 1 1 62 62 ARG N N 62 117.758 117.758 119.514 -1.756 18301 1509 1 4 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.850 0.860 18301 1510 1 4 . 1 1 62 62 ARG C C 62 177.676 177.676 178.019 -0.343 18301 1511 1 4 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.829 -0.407 18301 1512 1 4 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.729 -0.758 18301 1513 1 4 . 1 1 62 62 ARG H H 62 8.034 8.034 7.766 0.268 18301 1514 1 4 . 1 1 63 63 ASP N N 63 119.490 119.490 117.521 1.969 18301 1515 1 4 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.394 -0.006 18301 1516 1 4 . 1 1 63 63 ASP C C 63 178.190 178.190 178.255 -0.065 18301 1517 1 4 . 1 1 63 63 ASP CA C 63 57.660 57.660 56.747 0.913 18301 1518 1 4 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.675 -1.582 18301 1519 1 4 . 1 1 63 63 ASP H H 63 8.187 8.187 7.800 0.387 18301 1520 1 4 . 1 1 64 64 HIS N N 64 119.289 119.289 119.606 -0.317 18301 1521 1 4 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.315 0.044 18301 1522 1 4 . 1 1 64 64 HIS C C 64 178.607 178.607 178.140 0.467 18301 1523 1 4 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.965 1.359 18301 1524 1 4 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.610 0.790 18301 1525 1 4 . 1 1 64 64 HIS H H 64 8.250 8.250 7.536 0.714 18301 1526 1 4 . 1 1 65 65 VAL N N 65 119.590 119.590 119.405 0.185 18301 1527 1 4 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.366 0.356 18301 1528 1 4 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.485 0.455 18301 1529 1 4 . 1 1 65 65 VAL CB C 65 31.813 31.813 30.761 1.052 18301 1530 1 4 . 1 1 65 65 VAL H H 65 7.638 7.638 7.816 -0.178 18301 1531 1 4 . 1 1 66 66 ASN N N 66 121.680 121.680 117.092 4.588 18301 1532 1 4 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.706 0.444 18301 1533 1 4 . 1 1 66 66 ASN C C 66 180.454 180.454 177.315 3.139 18301 1534 1 4 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.591 0.092 18301 1535 1 4 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.311 -0.325 18301 1536 1 4 . 1 1 66 66 ASN H H 66 8.461 8.461 7.835 0.626 18301 1537 1 4 . 1 1 67 67 ASP N N 67 120.750 120.750 120.777 -0.027 18301 1538 1 4 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.466 -0.026 18301 1539 1 4 . 1 1 67 67 ASP C C 67 177.537 177.537 177.161 0.376 18301 1540 1 4 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.249 0.379 18301 1541 1 4 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.850 -0.367 18301 1542 1 4 . 1 1 67 67 ASP H H 67 8.385 8.385 7.808 0.577 18301 1543 1 4 . 1 1 68 68 MET N N 68 116.510 116.510 115.968 0.542 18301 1544 1 4 . 1 1 68 68 MET HA H 68 4.287 4.287 4.382 -0.095 18301 1545 1 4 . 1 1 68 68 MET C C 68 176.064 176.064 177.246 -1.182 18301 1546 1 4 . 1 1 68 68 MET CA C 68 56.672 56.672 55.252 1.420 18301 1547 1 4 . 1 1 68 68 MET CB C 68 33.933 33.933 32.898 1.035 18301 1548 1 4 . 1 1 68 68 MET H H 68 7.680 7.680 7.582 0.098 18301 1549 1 4 . 1 1 69 69 GLY N N 69 105.290 105.290 107.296 -2.006 18301 1550 1 4 . 1 1 69 69 GLY C C 69 173.640 173.640 174.058 -0.418 18301 1551 1 4 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.146 -0.390 18301 1552 1 4 . 1 1 69 69 GLY H H 69 8.049 8.049 7.787 0.262 18301 1553 1 4 . 1 1 70 70 PHE N N 70 118.850 118.850 120.372 -1.522 18301 1554 1 4 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.593 0.143 18301 1555 1 4 . 1 1 70 70 PHE C C 70 172.772 172.772 174.758 -1.986 18301 1556 1 4 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.572 0.287 18301 1557 1 4 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.013 0.557 18301 1558 1 4 . 1 1 70 70 PHE H H 70 6.689 6.689 7.798 -1.109 18301 1559 1 4 . 1 1 71 71 GLU N N 71 118.550 118.550 120.497 -1.947 18301 1560 1 4 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.652 0.058 18301 1561 1 4 . 1 1 71 71 GLU C C 71 175.370 175.370 175.360 0.010 18301 1562 1 4 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.113 0.786 18301 1563 1 4 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.966 0.743 18301 1564 1 4 . 1 1 71 71 GLU H H 71 8.030 8.030 8.609 -0.579 18301 1565 1 4 . 1 1 72 72 ALA N N 72 129.745 129.745 127.653 2.092 18301 1566 1 4 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.485 0.431 18301 1567 1 4 . 1 1 72 72 ALA C C 72 176.245 176.245 175.829 0.416 18301 1568 1 4 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.322 -0.653 18301 1569 1 4 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.632 0.863 18301 1570 1 4 . 1 1 72 72 ALA H H 72 9.580 9.580 8.378 1.202 18301 1571 1 4 . 1 1 73 73 ALA N N 73 121.581 121.581 125.963 -4.382 18301 1572 1 4 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.835 -0.314 18301 1573 1 4 . 1 1 73 73 ALA C C 73 176.162 176.162 176.018 0.144 18301 1574 1 4 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.405 0.338 18301 1575 1 4 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.226 0.403 18301 1576 1 4 . 1 1 73 73 ALA H H 73 8.633 8.633 8.693 -0.060 18301 1577 1 4 . 1 1 74 74 ILE N N 74 123.360 123.360 121.415 1.945 18301 1578 1 4 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.796 0.198 18301 1579 1 4 . 1 1 74 74 ILE C C 74 176.217 176.217 176.559 -0.342 18301 1580 1 4 . 1 1 74 74 ILE CA C 74 63.331 63.331 63.069 0.263 18301 1581 1 4 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.923 0.388 18301 1582 1 4 . 1 1 74 74 ILE H H 74 8.962 8.962 8.520 0.442 18301 1583 1 4 . 1 1 75 75 LYS N N 75 130.310 130.310 127.533 2.777 18301 1584 1 4 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.418 0.135 18301 1585 1 4 . 1 1 75 75 LYS C C 75 175.217 175.217 175.335 -0.118 18301 1586 1 4 . 1 1 75 75 LYS CA C 75 56.457 56.457 55.950 0.506 18301 1587 1 4 . 1 1 75 75 LYS CB C 75 33.272 33.272 33.665 -0.393 18301 1588 1 4 . 1 1 75 75 LYS H H 75 8.842 8.842 8.441 0.401 18301 1589 1 5 . 1 1 4 4 MET N N 4 121.245 121.245 117.827 3.418 18301 1590 1 5 . 1 1 4 4 MET HA H 4 4.302 4.302 4.520 -0.218 18301 1591 1 5 . 1 1 4 4 MET C C 4 175.828 175.828 176.264 -0.436 18301 1592 1 5 . 1 1 4 4 MET CA C 4 56.414 56.414 55.224 1.190 18301 1593 1 5 . 1 1 4 4 MET CB C 4 32.361 32.361 32.613 -0.252 18301 1594 1 5 . 1 1 4 4 MET H H 4 8.363 8.363 8.404 -0.041 18301 1595 1 5 . 1 1 5 5 GLN N N 5 121.670 121.670 118.771 2.899 18301 1596 1 5 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.276 -0.026 18301 1597 1 5 . 1 1 5 5 GLN C C 5 175.245 175.245 175.324 -0.079 18301 1598 1 5 . 1 1 5 5 GLN CA C 5 56.500 56.500 55.355 1.145 18301 1599 1 5 . 1 1 5 5 GLN CB C 5 29.319 29.319 28.840 0.479 18301 1600 1 5 . 1 1 5 5 GLN H H 5 8.266 8.266 7.391 0.875 18301 1601 1 5 . 1 1 6 6 GLU N N 6 120.500 120.500 118.179 2.321 18301 1602 1 5 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.112 0.665 18301 1603 1 5 . 1 1 6 6 GLU C C 6 174.619 174.619 175.092 -0.473 18301 1604 1 5 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.210 -1.171 18301 1605 1 5 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.954 2.710 18301 1606 1 5 . 1 1 6 6 GLU H H 6 8.238 8.238 7.949 0.289 18301 1607 1 5 . 1 1 7 7 ALA N N 7 125.790 125.790 126.608 -0.818 18301 1608 1 5 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.724 -0.162 18301 1609 1 5 . 1 1 7 7 ALA C C 7 173.633 173.633 175.467 -1.834 18301 1610 1 5 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.618 -0.348 18301 1611 1 5 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.858 0.554 18301 1612 1 5 . 1 1 7 7 ALA H H 7 8.838 8.838 8.111 0.727 18301 1613 1 5 . 1 1 8 8 VAL N N 8 117.770 117.770 120.330 -2.560 18301 1614 1 5 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.064 0.302 18301 1615 1 5 . 1 1 8 8 VAL C C 8 176.717 176.717 175.510 1.207 18301 1616 1 5 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.397 0.185 18301 1617 1 5 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.544 0.379 18301 1618 1 5 . 1 1 8 8 VAL H H 8 8.340 8.340 8.393 -0.053 18301 1619 1 5 . 1 1 9 9 VAL N N 9 128.140 128.140 126.391 1.749 18301 1620 1 5 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.411 0.414 18301 1621 1 5 . 1 1 9 9 VAL C C 9 170.910 170.910 174.463 -3.553 18301 1622 1 5 . 1 1 9 9 VAL CA C 9 59.121 59.121 61.021 -1.900 18301 1623 1 5 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.460 0.419 18301 1624 1 5 . 1 1 9 9 VAL H H 9 9.560 9.560 9.270 0.290 18301 1625 1 5 . 1 1 10 10 LYS N N 10 126.441 126.441 126.260 0.181 18301 1626 1 5 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.228 0.168 18301 1627 1 5 . 1 1 10 10 LYS C C 10 175.078 175.078 175.042 0.036 18301 1628 1 5 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.269 0.126 18301 1629 1 5 . 1 1 10 10 LYS CB C 10 34.184 34.184 34.130 0.054 18301 1630 1 5 . 1 1 10 10 LYS H H 10 8.821 8.821 8.474 0.347 18301 1631 1 5 . 1 1 11 11 LEU N N 11 119.930 119.930 123.077 -3.147 18301 1632 1 5 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.985 0.386 18301 1633 1 5 . 1 1 11 11 LEU C C 11 177.801 177.801 175.692 2.109 18301 1634 1 5 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.653 -1.750 18301 1635 1 5 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.244 -2.330 18301 1636 1 5 . 1 1 11 11 LEU H H 11 9.277 9.277 9.055 0.222 18301 1637 1 5 . 1 1 12 12 ARG N N 12 125.200 125.200 121.965 3.235 18301 1638 1 5 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.408 0.496 18301 1639 1 5 . 1 1 12 12 ARG C C 12 175.773 175.773 175.302 0.471 18301 1640 1 5 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.730 -0.089 18301 1641 1 5 . 1 1 12 12 ARG CB C 12 31.013 31.013 29.955 1.058 18301 1642 1 5 . 1 1 12 12 ARG H H 12 9.300 9.300 8.972 0.328 18301 1643 1 5 . 1 1 13 13 VAL N N 13 126.780 126.780 125.758 1.022 18301 1644 1 5 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.192 0.319 18301 1645 1 5 . 1 1 13 13 VAL C C 13 174.564 174.564 175.398 -0.834 18301 1646 1 5 . 1 1 13 13 VAL CA C 13 61.785 61.785 61.188 0.597 18301 1647 1 5 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.191 1.515 18301 1648 1 5 . 1 1 13 13 VAL H H 13 8.110 8.110 7.955 0.155 18301 1649 1 5 . 1 1 14 14 GLU N N 14 126.510 126.510 126.666 -0.156 18301 1650 1 5 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.460 0.205 18301 1651 1 5 . 1 1 14 14 GLU C C 14 176.426 176.426 177.782 -1.356 18301 1652 1 5 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.834 -1.451 18301 1653 1 5 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.490 1.131 18301 1654 1 5 . 1 1 14 14 GLU H H 14 9.100 9.100 8.714 0.386 18301 1655 1 5 . 1 1 15 15 GLY N N 15 108.020 108.020 107.572 0.448 18301 1656 1 5 . 1 1 15 15 GLY C C 15 175.884 175.884 174.692 1.192 18301 1657 1 5 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.428 -0.528 18301 1658 1 5 . 1 1 15 15 GLY H H 15 8.680 8.680 8.421 0.259 18301 1659 1 5 . 1 1 16 16 MET N N 16 120.590 120.590 118.052 2.538 18301 1660 1 5 . 1 1 16 16 MET HA H 16 4.880 4.880 4.412 0.468 18301 1661 1 5 . 1 1 16 16 MET C C 16 177.342 177.342 177.723 -0.381 18301 1662 1 5 . 1 1 16 16 MET CA C 16 56.672 56.672 56.170 0.502 18301 1663 1 5 . 1 1 16 16 MET H H 16 9.033 9.033 7.514 1.518 18301 1664 1 5 . 1 1 17 17 THR N N 17 123.321 123.321 108.862 14.459 18301 1665 1 5 . 1 1 17 17 THR C C 17 176.231 176.231 174.121 2.110 18301 1666 1 5 . 1 1 17 17 THR CA C 17 57.114 57.114 64.007 -6.893 18301 1667 1 5 . 1 1 17 17 THR H H 17 8.591 8.591 8.716 -0.125 18301 1668 1 5 . 1 1 18 18 CYS N N 18 120.560 120.560 116.639 3.921 18301 1669 1 5 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.574 0.486 18301 1670 1 5 . 1 1 18 18 CYS C C 18 174.467 174.467 174.699 -0.232 18301 1671 1 5 . 1 1 18 18 CYS CA C 18 57.500 57.500 59.235 -1.735 18301 1672 1 5 . 1 1 18 18 CYS CB C 18 30.996 30.996 30.038 0.958 18301 1673 1 5 . 1 1 18 18 CYS H H 18 8.809 8.809 8.454 0.355 18301 1674 1 5 . 1 1 20 20 SER N N 20 123.434 123.434 117.842 5.592 18301 1675 1 5 . 1 1 20 20 SER HA H 20 4.461 4.461 4.607 -0.146 18301 1676 1 5 . 1 1 20 20 SER C C 20 177.009 177.009 175.113 1.896 18301 1677 1 5 . 1 1 20 20 SER CA C 20 62.214 62.214 57.126 5.088 18301 1678 1 5 . 1 1 20 20 SER H H 20 8.297 8.297 8.789 -0.492 18301 1679 1 5 . 1 1 21 21 CYS N N 21 125.740 125.740 121.630 4.110 18301 1680 1 5 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.244 -0.184 18301 1681 1 5 . 1 1 21 21 CYS C C 21 177.495 177.495 176.164 1.331 18301 1682 1 5 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.322 2.224 18301 1683 1 5 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.403 1.397 18301 1684 1 5 . 1 1 21 21 CYS H H 21 7.861 7.861 8.129 -0.268 18301 1685 1 5 . 1 1 22 22 VAL N N 22 118.130 118.130 120.134 -2.004 18301 1686 1 5 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.485 -0.275 18301 1687 1 5 . 1 1 22 22 VAL C C 22 177.843 177.843 177.928 -0.085 18301 1688 1 5 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.657 -0.232 18301 1689 1 5 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.637 -0.102 18301 1690 1 5 . 1 1 22 22 VAL H H 22 6.860 6.860 8.272 -1.412 18301 1691 1 5 . 1 1 23 23 SER N N 23 112.820 112.820 114.294 -1.474 18301 1692 1 5 . 1 1 23 23 SER HA H 23 4.220 4.220 4.175 0.045 18301 1693 1 5 . 1 1 23 23 SER C C 23 178.162 178.162 176.620 1.542 18301 1694 1 5 . 1 1 23 23 SER CA C 23 61.398 61.398 61.768 -0.370 18301 1695 1 5 . 1 1 23 23 SER CB C 23 62.550 62.550 62.940 -0.390 18301 1696 1 5 . 1 1 23 23 SER H H 23 8.341 8.341 7.766 0.575 18301 1697 1 5 . 1 1 24 24 SER N N 24 119.341 119.341 117.938 1.403 18301 1698 1 5 . 1 1 24 24 SER HA H 24 4.859 4.859 4.311 0.548 18301 1699 1 5 . 1 1 24 24 SER C C 24 176.856 176.856 176.704 0.152 18301 1700 1 5 . 1 1 24 24 SER CA C 24 61.570 61.570 61.003 0.567 18301 1701 1 5 . 1 1 24 24 SER CB C 24 62.506 62.506 63.026 -0.520 18301 1702 1 5 . 1 1 24 24 SER H H 24 8.286 8.286 7.381 0.905 18301 1703 1 5 . 1 1 25 25 ILE N N 25 122.340 122.340 121.604 0.736 18301 1704 1 5 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.893 -0.301 18301 1705 1 5 . 1 1 25 25 ILE C C 25 177.912 177.912 177.818 0.094 18301 1706 1 5 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.663 1.375 18301 1707 1 5 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.879 0.606 18301 1708 1 5 . 1 1 25 25 ILE H H 25 8.057 8.057 8.459 -0.402 18301 1709 1 5 . 1 1 26 26 GLU N N 26 117.081 117.081 119.874 -2.793 18301 1710 1 5 . 1 1 26 26 GLU HA H 26 3.555 3.555 3.979 -0.424 18301 1711 1 5 . 1 1 26 26 GLU C C 26 178.523 178.523 178.977 -0.454 18301 1712 1 5 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.168 1.457 18301 1713 1 5 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.414 0.407 18301 1714 1 5 . 1 1 26 26 GLU H H 26 8.504 8.504 7.809 0.695 18301 1715 1 5 . 1 1 27 27 GLY N N 27 102.731 102.731 106.564 -3.833 18301 1716 1 5 . 1 1 27 27 GLY C C 27 175.925 175.925 176.247 -0.322 18301 1717 1 5 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.714 0.119 18301 1718 1 5 . 1 1 27 27 GLY H H 27 8.231 8.231 7.741 0.490 18301 1719 1 5 . 1 1 28 28 LYS N N 28 119.316 119.316 121.112 -1.796 18301 1720 1 5 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.149 -0.039 18301 1721 1 5 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.308 0.721 18301 1722 1 5 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.021 0.895 18301 1723 1 5 . 1 1 28 28 LYS H H 28 7.640 7.640 7.468 0.172 18301 1724 1 5 . 1 1 29 29 VAL N N 29 118.845 118.845 117.720 1.125 18301 1725 1 5 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.623 -0.173 18301 1726 1 5 . 1 1 29 29 VAL C C 29 177.259 177.259 178.388 -1.129 18301 1727 1 5 . 1 1 29 29 VAL CA C 29 65.737 65.737 66.534 -0.798 18301 1728 1 5 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.255 0.062 18301 1729 1 5 . 1 1 29 29 VAL H H 29 8.577 8.577 7.537 1.040 18301 1730 1 5 . 1 1 30 30 ARG N N 30 115.480 115.480 117.150 -1.670 18301 1731 1 5 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.086 -0.266 18301 1732 1 5 . 1 1 30 30 ARG C C 30 176.717 176.717 177.298 -0.581 18301 1733 1 5 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.055 0.593 18301 1734 1 5 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.744 0.357 18301 1735 1 5 . 1 1 30 30 ARG H H 30 8.083 8.083 7.830 0.253 18301 1736 1 5 . 1 1 31 31 LYS N N 31 114.395 114.395 116.532 -2.137 18301 1737 1 5 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.296 -0.105 18301 1738 1 5 . 1 1 31 31 LYS C C 31 176.870 176.870 177.059 -0.189 18301 1739 1 5 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.525 0.717 18301 1740 1 5 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.921 0.003 18301 1741 1 5 . 1 1 31 31 LYS H H 31 6.757 6.757 7.734 -0.977 18301 1742 1 5 . 1 1 32 32 LEU N N 32 121.290 121.290 121.935 -0.645 18301 1743 1 5 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.289 -0.194 18301 1744 1 5 . 1 1 32 32 LEU C C 32 177.398 177.398 177.147 0.251 18301 1745 1 5 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.094 -0.441 18301 1746 1 5 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.816 -0.508 18301 1747 1 5 . 1 1 32 32 LEU H H 32 7.386 7.386 7.631 -0.245 18301 1748 1 5 . 1 1 33 33 GLN N N 33 124.330 124.330 124.713 -0.383 18301 1749 1 5 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.243 -0.153 18301 1750 1 5 . 1 1 33 33 GLN C C 33 175.661 175.661 177.267 -1.606 18301 1751 1 5 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.838 -0.943 18301 1752 1 5 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.054 -0.977 18301 1753 1 5 . 1 1 33 33 GLN H H 33 8.650 8.650 8.625 0.025 18301 1754 1 5 . 1 1 34 34 GLY N N 34 109.990 109.990 107.247 2.743 18301 1755 1 5 . 1 1 34 34 GLY C C 34 173.911 173.911 175.250 -1.339 18301 1756 1 5 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.117 0.427 18301 1757 1 5 . 1 1 34 34 GLY H H 34 8.759 8.759 8.105 0.654 18301 1758 1 5 . 1 1 35 35 VAL N N 35 119.540 119.540 121.740 -2.200 18301 1759 1 5 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.995 -0.145 18301 1760 1 5 . 1 1 35 35 VAL C C 35 175.759 175.759 176.462 -0.703 18301 1761 1 5 . 1 1 35 35 VAL CA C 35 63.803 63.803 64.025 -0.222 18301 1762 1 5 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.331 -0.905 18301 1763 1 5 . 1 1 35 35 VAL H H 35 7.600 7.600 7.845 -0.245 18301 1764 1 5 . 1 1 36 36 VAL N N 36 130.030 130.030 125.667 4.363 18301 1765 1 5 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.036 -0.124 18301 1766 1 5 . 1 1 36 36 VAL C C 36 176.023 176.023 175.304 0.719 18301 1767 1 5 . 1 1 36 36 VAL CA C 36 64.200 64.200 64.267 -0.067 18301 1768 1 5 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.823 0.857 18301 1769 1 5 . 1 1 36 36 VAL H H 36 9.141 9.141 8.869 0.272 18301 1770 1 5 . 1 1 37 37 ARG N N 37 116.750 116.750 114.770 1.980 18301 1771 1 5 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.499 0.142 18301 1772 1 5 . 1 1 37 37 ARG C C 37 173.230 173.230 173.261 -0.031 18301 1773 1 5 . 1 1 37 37 ARG CA C 37 55.581 55.581 54.789 0.792 18301 1774 1 5 . 1 1 37 37 ARG CB C 37 33.937 33.937 32.687 1.250 18301 1775 1 5 . 1 1 37 37 ARG H H 37 7.859 7.859 7.758 0.101 18301 1776 1 5 . 1 1 38 38 VAL N N 38 119.900 119.900 120.534 -0.634 18301 1777 1 5 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.586 0.393 18301 1778 1 5 . 1 1 38 38 VAL C C 38 171.841 171.841 175.086 -3.245 18301 1779 1 5 . 1 1 38 38 VAL CA C 38 59.637 59.637 61.381 -1.744 18301 1780 1 5 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.203 -0.844 18301 1781 1 5 . 1 1 38 38 VAL H H 38 8.785 8.785 8.369 0.416 18301 1782 1 5 . 1 1 39 39 LYS N N 39 126.750 126.750 128.830 -2.080 18301 1783 1 5 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.730 0.080 18301 1784 1 5 . 1 1 39 39 LYS C C 39 175.634 175.634 174.534 1.100 18301 1785 1 5 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.703 -0.265 18301 1786 1 5 . 1 1 39 39 LYS CB C 39 35.357 35.357 35.010 0.347 18301 1787 1 5 . 1 1 39 39 LYS H H 39 8.360 8.360 8.764 -0.404 18301 1788 1 5 . 1 1 40 40 VAL N N 40 131.410 131.410 126.238 5.172 18301 1789 1 5 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.231 0.556 18301 1790 1 5 . 1 1 40 40 VAL C C 40 173.522 173.522 174.986 -1.464 18301 1791 1 5 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.508 -0.540 18301 1792 1 5 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.912 -1.509 18301 1793 1 5 . 1 1 40 40 VAL H H 40 10.183 10.183 8.631 1.552 18301 1794 1 5 . 1 1 41 41 SER N N 41 120.470 120.470 121.397 -0.927 18301 1795 1 5 . 1 1 41 41 SER HA H 41 4.852 4.852 4.865 -0.013 18301 1796 1 5 . 1 1 41 41 SER C C 41 175.217 175.217 175.154 0.063 18301 1797 1 5 . 1 1 41 41 SER CA C 41 55.039 55.039 55.732 -0.693 18301 1798 1 5 . 1 1 41 41 SER CB C 41 64.710 64.710 63.440 1.270 18301 1799 1 5 . 1 1 41 41 SER H H 41 8.868 8.868 8.092 0.776 18301 1800 1 5 . 1 1 42 42 LEU N N 42 130.390 130.390 126.681 3.709 18301 1801 1 5 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.474 0.336 18301 1802 1 5 . 1 1 42 42 LEU C C 42 179.982 179.982 177.518 2.464 18301 1803 1 5 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.784 1.091 18301 1804 1 5 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.874 0.156 18301 1805 1 5 . 1 1 42 42 LEU H H 42 8.998 8.998 8.937 0.061 18301 1806 1 5 . 1 1 44 44 ASN N N 44 116.079 116.079 118.079 -2.000 18301 1807 1 5 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.875 -0.031 18301 1808 1 5 . 1 1 44 44 ASN C C 44 173.786 173.786 174.245 -0.459 18301 1809 1 5 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.892 -0.602 18301 1810 1 5 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.274 -1.094 18301 1811 1 5 . 1 1 44 44 ASN H H 44 7.812 7.812 7.498 0.314 18301 1812 1 5 . 1 1 45 45 GLN N N 45 117.658 117.658 114.133 3.525 18301 1813 1 5 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.919 -0.318 18301 1814 1 5 . 1 1 45 45 GLN C C 45 175.314 175.314 173.927 1.387 18301 1815 1 5 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.035 -0.105 18301 1816 1 5 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.077 -0.016 18301 1817 1 5 . 1 1 45 45 GLN H H 45 7.679 7.679 7.773 -0.094 18301 1818 1 5 . 1 1 46 46 GLU N N 46 116.510 116.510 116.411 0.099 18301 1819 1 5 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.943 0.751 18301 1820 1 5 . 1 1 46 46 GLU C C 46 173.869 173.869 173.841 0.028 18301 1821 1 5 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.911 0.484 18301 1822 1 5 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.250 1.281 18301 1823 1 5 . 1 1 46 46 GLU H H 46 7.780 7.780 7.735 0.045 18301 1824 1 5 . 1 1 47 47 ALA N N 47 124.870 124.870 122.038 2.832 18301 1825 1 5 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.670 0.437 18301 1826 1 5 . 1 1 47 47 ALA C C 47 174.758 174.758 175.187 -0.429 18301 1827 1 5 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.723 -0.925 18301 1828 1 5 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.804 0.272 18301 1829 1 5 . 1 1 47 47 ALA H H 47 9.170 9.170 8.876 0.294 18301 1830 1 5 . 1 1 48 48 VAL N N 48 123.890 123.890 124.232 -0.342 18301 1831 1 5 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.636 -0.064 18301 1832 1 5 . 1 1 48 48 VAL C C 48 176.217 176.217 174.586 1.631 18301 1833 1 5 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.429 1.215 18301 1834 1 5 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.516 -0.983 18301 1835 1 5 . 1 1 48 48 VAL H H 48 8.930 8.930 8.942 -0.012 18301 1836 1 5 . 1 1 49 49 ILE N N 49 129.890 129.890 129.033 0.857 18301 1837 1 5 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.420 0.420 18301 1838 1 5 . 1 1 49 49 ILE C C 49 174.619 174.619 174.891 -0.272 18301 1839 1 5 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.275 0.135 18301 1840 1 5 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.057 0.860 18301 1841 1 5 . 1 1 49 49 ILE H H 49 9.340 9.340 9.322 0.018 18301 1842 1 5 . 1 1 50 50 THR N N 50 125.910 125.910 124.694 1.216 18301 1843 1 5 . 1 1 50 50 THR HA H 50 5.486 5.486 4.805 0.681 18301 1844 1 5 . 1 1 50 50 THR C C 50 174.286 174.286 173.933 0.353 18301 1845 1 5 . 1 1 50 50 THR CA C 50 61.871 61.871 61.381 0.490 18301 1846 1 5 . 1 1 50 50 THR CB C 50 68.762 68.762 68.938 -0.176 18301 1847 1 5 . 1 1 50 50 THR H H 50 9.225 9.225 9.052 0.173 18301 1848 1 5 . 1 1 51 51 TYR N N 51 127.720 127.720 125.539 2.181 18301 1849 1 5 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.075 0.590 18301 1850 1 5 . 1 1 51 51 TYR C C 51 171.758 171.758 172.893 -1.135 18301 1851 1 5 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.447 -0.322 18301 1852 1 5 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.648 0.896 18301 1853 1 5 . 1 1 51 51 TYR H H 51 9.846 9.846 9.437 0.409 18301 1854 1 5 . 1 1 52 52 GLN N N 52 120.470 120.470 118.117 2.353 18301 1855 1 5 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.650 0.373 18301 1856 1 5 . 1 1 52 52 GLN C C 52 175.286 175.286 174.032 1.254 18301 1857 1 5 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.093 0.896 18301 1858 1 5 . 1 1 52 52 GLN H H 52 9.072 9.072 8.528 0.543 18301 1859 1 5 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.410 -0.692 18301 1860 1 5 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.175 0.228 18301 1861 1 5 . 1 1 54 54 TYR N N 54 114.650 114.650 116.736 -2.086 18301 1862 1 5 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.444 -0.043 18301 1863 1 5 . 1 1 54 54 TYR C C 54 175.689 175.689 175.847 -0.158 18301 1864 1 5 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.500 -0.766 18301 1865 1 5 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.965 -1.393 18301 1866 1 5 . 1 1 54 54 TYR H H 54 8.158 8.158 8.122 0.036 18301 1867 1 5 . 1 1 55 55 LEU N N 55 117.788 117.788 117.796 -0.008 18301 1868 1 5 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.406 0.006 18301 1869 1 5 . 1 1 55 55 LEU C C 55 175.786 175.786 176.861 -1.075 18301 1870 1 5 . 1 1 55 55 LEU CA C 55 55.039 55.039 55.023 0.016 18301 1871 1 5 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.400 2.470 18301 1872 1 5 . 1 1 55 55 LEU H H 55 7.968 7.968 7.323 0.645 18301 1873 1 5 . 1 1 56 56 ILE N N 56 121.565 121.565 118.192 3.373 18301 1874 1 5 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.404 0.017 18301 1875 1 5 . 1 1 56 56 ILE C C 56 170.396 170.396 174.288 -3.892 18301 1876 1 5 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.342 2.013 18301 1877 1 5 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.686 -0.899 18301 1878 1 5 . 1 1 56 56 ILE H H 56 8.211 8.211 7.983 0.228 18301 1879 1 5 . 1 1 57 57 GLN N N 57 119.400 119.400 124.494 -5.094 18301 1880 1 5 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.877 0.116 18301 1881 1 5 . 1 1 57 57 GLN C C 57 175.911 175.911 174.739 1.172 18301 1882 1 5 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.848 -2.601 18301 1883 1 5 . 1 1 57 57 GLN CB C 57 29.884 29.884 28.630 1.254 18301 1884 1 5 . 1 1 57 57 GLN H H 57 7.953 7.953 8.675 -0.722 18301 1885 1 5 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.553 0.527 18301 1886 1 5 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.931 -0.131 18301 1887 1 5 . 1 1 59 59 GLU N N 59 116.700 116.700 118.601 -1.901 18301 1888 1 5 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.967 -0.390 18301 1889 1 5 . 1 1 59 59 GLU C C 59 177.634 177.634 178.489 -0.855 18301 1890 1 5 . 1 1 59 59 GLU CA C 59 61.355 61.355 60.084 1.272 18301 1891 1 5 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.719 -0.312 18301 1892 1 5 . 1 1 59 59 GLU H H 59 9.588 9.588 8.646 0.942 18301 1893 1 5 . 1 1 60 60 ASP N N 60 116.670 116.670 118.695 -2.025 18301 1894 1 5 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.469 -0.198 18301 1895 1 5 . 1 1 60 60 ASP C C 60 178.898 178.898 178.759 0.139 18301 1896 1 5 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.053 -0.166 18301 1897 1 5 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.671 0.055 18301 1898 1 5 . 1 1 60 60 ASP H H 60 6.994 6.994 8.260 -1.266 18301 1899 1 5 . 1 1 61 61 LEU N N 61 120.023 120.023 118.434 1.589 18301 1900 1 5 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.277 -0.518 18301 1901 1 5 . 1 1 61 61 LEU C C 61 177.009 177.009 178.349 -1.340 18301 1902 1 5 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.205 1.014 18301 1903 1 5 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.246 0.319 18301 1904 1 5 . 1 1 61 61 LEU H H 61 7.220 7.220 7.534 -0.314 18301 1905 1 5 . 1 1 62 62 ARG N N 62 117.758 117.758 119.623 -1.865 18301 1906 1 5 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.888 0.822 18301 1907 1 5 . 1 1 62 62 ARG C C 62 177.676 177.676 178.199 -0.523 18301 1908 1 5 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.475 -0.053 18301 1909 1 5 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.271 -0.300 18301 1910 1 5 . 1 1 62 62 ARG H H 62 8.034 8.034 7.960 0.075 18301 1911 1 5 . 1 1 63 63 ASP N N 63 119.490 119.490 117.848 1.642 18301 1912 1 5 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.461 -0.073 18301 1913 1 5 . 1 1 63 63 ASP C C 63 178.190 178.190 178.410 -0.220 18301 1914 1 5 . 1 1 63 63 ASP CA C 63 57.660 57.660 56.789 0.871 18301 1915 1 5 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.631 -1.538 18301 1916 1 5 . 1 1 63 63 ASP H H 63 8.187 8.187 7.894 0.293 18301 1917 1 5 . 1 1 64 64 HIS N N 64 119.289 119.289 119.110 0.179 18301 1918 1 5 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.307 0.052 18301 1919 1 5 . 1 1 64 64 HIS C C 64 178.607 178.607 177.608 0.999 18301 1920 1 5 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.972 1.352 18301 1921 1 5 . 1 1 64 64 HIS CB C 64 30.400 30.400 30.123 0.277 18301 1922 1 5 . 1 1 64 64 HIS H H 64 8.250 8.250 7.402 0.848 18301 1923 1 5 . 1 1 65 65 VAL N N 65 119.590 119.590 118.281 1.309 18301 1924 1 5 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.648 0.074 18301 1925 1 5 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.336 0.604 18301 1926 1 5 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.674 0.139 18301 1927 1 5 . 1 1 65 65 VAL H H 65 7.638 7.638 7.855 -0.217 18301 1928 1 5 . 1 1 66 66 ASN N N 66 121.680 121.680 118.015 3.665 18301 1929 1 5 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.494 0.656 18301 1930 1 5 . 1 1 66 66 ASN C C 66 180.454 180.454 177.121 3.333 18301 1931 1 5 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.855 -0.172 18301 1932 1 5 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.423 -0.437 18301 1933 1 5 . 1 1 66 66 ASN H H 66 8.461 8.461 7.850 0.611 18301 1934 1 5 . 1 1 67 67 ASP N N 67 120.750 120.750 119.863 0.887 18301 1935 1 5 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.443 -0.003 18301 1936 1 5 . 1 1 67 67 ASP C C 67 177.537 177.537 177.505 0.032 18301 1937 1 5 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.118 0.510 18301 1938 1 5 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.434 0.049 18301 1939 1 5 . 1 1 67 67 ASP H H 67 8.385 8.385 7.800 0.585 18301 1940 1 5 . 1 1 68 68 MET N N 68 116.510 116.510 115.875 0.635 18301 1941 1 5 . 1 1 68 68 MET HA H 68 4.287 4.287 4.316 -0.029 18301 1942 1 5 . 1 1 68 68 MET C C 68 176.064 176.064 177.052 -0.988 18301 1943 1 5 . 1 1 68 68 MET CA C 68 56.672 56.672 55.643 1.029 18301 1944 1 5 . 1 1 68 68 MET CB C 68 33.933 33.933 32.881 1.052 18301 1945 1 5 . 1 1 68 68 MET H H 68 7.680 7.680 7.692 -0.012 18301 1946 1 5 . 1 1 69 69 GLY N N 69 105.290 105.290 106.820 -1.530 18301 1947 1 5 . 1 1 69 69 GLY C C 69 173.640 173.640 174.036 -0.396 18301 1948 1 5 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.317 -0.561 18301 1949 1 5 . 1 1 69 69 GLY H H 69 8.049 8.049 8.210 -0.161 18301 1950 1 5 . 1 1 70 70 PHE N N 70 118.850 118.850 119.124 -0.274 18301 1951 1 5 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.630 0.106 18301 1952 1 5 . 1 1 70 70 PHE C C 70 172.772 172.772 175.984 -3.212 18301 1953 1 5 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.678 0.181 18301 1954 1 5 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.235 0.335 18301 1955 1 5 . 1 1 70 70 PHE H H 70 6.689 6.689 7.671 -0.982 18301 1956 1 5 . 1 1 71 71 GLU N N 71 118.550 118.550 119.651 -1.101 18301 1957 1 5 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.396 0.314 18301 1958 1 5 . 1 1 71 71 GLU C C 71 175.370 175.370 175.980 -0.610 18301 1959 1 5 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.666 0.232 18301 1960 1 5 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.822 0.887 18301 1961 1 5 . 1 1 71 71 GLU H H 71 8.030 8.030 8.975 -0.945 18301 1962 1 5 . 1 1 72 72 ALA N N 72 129.745 129.745 122.148 7.597 18301 1963 1 5 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.207 1.709 18301 1964 1 5 . 1 1 72 72 ALA C C 72 176.245 176.245 176.673 -0.428 18301 1965 1 5 . 1 1 72 72 ALA CA C 72 49.669 49.669 53.122 -3.453 18301 1966 1 5 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.240 3.255 18301 1967 1 5 . 1 1 72 72 ALA H H 72 9.580 9.580 7.801 1.779 18301 1968 1 5 . 1 1 73 73 ALA N N 73 121.581 121.581 125.950 -4.369 18301 1969 1 5 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.701 -0.180 18301 1970 1 5 . 1 1 73 73 ALA C C 73 176.162 176.162 176.154 0.008 18301 1971 1 5 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.360 0.383 18301 1972 1 5 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.864 0.765 18301 1973 1 5 . 1 1 73 73 ALA H H 73 8.633 8.633 8.190 0.443 18301 1974 1 5 . 1 1 74 74 ILE N N 74 123.360 123.360 123.640 -0.280 18301 1975 1 5 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.839 0.155 18301 1976 1 5 . 1 1 74 74 ILE C C 74 176.217 176.217 177.365 -1.148 18301 1977 1 5 . 1 1 74 74 ILE CA C 74 63.331 63.331 61.418 1.913 18301 1978 1 5 . 1 1 74 74 ILE CB C 74 38.311 38.311 36.152 2.159 18301 1979 1 5 . 1 1 74 74 ILE H H 74 8.962 8.962 8.756 0.206 18301 1980 1 5 . 1 1 75 75 LYS N N 75 130.310 130.310 130.498 -0.188 18301 1981 1 5 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.013 0.540 18301 1982 1 5 . 1 1 75 75 LYS C C 75 175.217 175.217 176.543 -1.326 18301 1983 1 5 . 1 1 75 75 LYS CA C 75 56.457 56.457 59.066 -2.609 18301 1984 1 5 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.852 0.420 18301 1985 1 5 . 1 1 75 75 LYS H H 75 8.842 8.842 8.296 0.546 18301 1986 1 6 . 1 1 4 4 MET N N 4 121.245 121.245 119.515 1.730 18301 1987 1 6 . 1 1 4 4 MET HA H 4 4.302 4.302 4.142 0.160 18301 1988 1 6 . 1 1 4 4 MET C C 4 175.828 175.828 175.695 0.133 18301 1989 1 6 . 1 1 4 4 MET CA C 4 56.414 56.414 55.602 0.812 18301 1990 1 6 . 1 1 4 4 MET CB C 4 32.361 32.361 32.499 -0.138 18301 1991 1 6 . 1 1 4 4 MET H H 4 8.363 8.363 8.553 -0.190 18301 1992 1 6 . 1 1 5 5 GLN N N 5 121.670 121.670 118.859 2.811 18301 1993 1 6 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.258 -0.008 18301 1994 1 6 . 1 1 5 5 GLN C C 5 175.245 175.245 175.610 -0.365 18301 1995 1 6 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.473 0.027 18301 1996 1 6 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.407 -0.088 18301 1997 1 6 . 1 1 5 5 GLN H H 5 8.266 8.266 8.392 -0.126 18301 1998 1 6 . 1 1 6 6 GLU N N 6 120.500 120.500 117.995 2.505 18301 1999 1 6 . 1 1 6 6 GLU HA H 6 4.777 4.777 3.942 0.835 18301 2000 1 6 . 1 1 6 6 GLU C C 6 174.619 174.619 175.306 -0.687 18301 2001 1 6 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.644 -1.605 18301 2002 1 6 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.462 3.202 18301 2003 1 6 . 1 1 6 6 GLU H H 6 8.238 8.238 7.864 0.374 18301 2004 1 6 . 1 1 7 7 ALA N N 7 125.790 125.790 126.576 -0.786 18301 2005 1 6 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.769 -0.207 18301 2006 1 6 . 1 1 7 7 ALA C C 7 173.633 173.633 175.464 -1.831 18301 2007 1 6 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.800 -0.530 18301 2008 1 6 . 1 1 7 7 ALA CB C 7 22.412 22.412 22.201 0.211 18301 2009 1 6 . 1 1 7 7 ALA H H 7 8.838 8.838 8.221 0.617 18301 2010 1 6 . 1 1 8 8 VAL N N 8 117.770 117.770 121.381 -3.611 18301 2011 1 6 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.951 0.415 18301 2012 1 6 . 1 1 8 8 VAL C C 8 176.717 176.717 174.829 1.888 18301 2013 1 6 . 1 1 8 8 VAL CA C 8 60.582 60.582 61.038 -0.455 18301 2014 1 6 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.569 0.354 18301 2015 1 6 . 1 1 8 8 VAL H H 8 8.340 8.340 8.435 -0.095 18301 2016 1 6 . 1 1 9 9 VAL N N 9 128.140 128.140 126.370 1.770 18301 2017 1 6 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.537 0.288 18301 2018 1 6 . 1 1 9 9 VAL C C 9 170.910 170.910 173.496 -2.586 18301 2019 1 6 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.764 -0.644 18301 2020 1 6 . 1 1 9 9 VAL CB C 9 34.879 34.879 35.382 -0.503 18301 2021 1 6 . 1 1 9 9 VAL H H 9 9.560 9.560 9.174 0.386 18301 2022 1 6 . 1 1 10 10 LYS N N 10 126.441 126.441 128.046 -1.605 18301 2023 1 6 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.004 0.392 18301 2024 1 6 . 1 1 10 10 LYS C C 10 175.078 175.078 174.887 0.191 18301 2025 1 6 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.315 0.080 18301 2026 1 6 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.471 0.713 18301 2027 1 6 . 1 1 10 10 LYS H H 10 8.821 8.821 8.413 0.408 18301 2028 1 6 . 1 1 11 11 LEU N N 11 119.930 119.930 124.019 -4.089 18301 2029 1 6 . 1 1 11 11 LEU HA H 11 5.371 5.371 5.057 0.314 18301 2030 1 6 . 1 1 11 11 LEU C C 11 177.801 177.801 175.769 2.032 18301 2031 1 6 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.996 -2.093 18301 2032 1 6 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.066 -2.152 18301 2033 1 6 . 1 1 11 11 LEU H H 11 9.277 9.277 9.242 0.035 18301 2034 1 6 . 1 1 12 12 ARG N N 12 125.200 125.200 122.532 2.668 18301 2035 1 6 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.395 0.509 18301 2036 1 6 . 1 1 12 12 ARG C C 12 175.773 175.773 175.734 0.039 18301 2037 1 6 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.734 -0.093 18301 2038 1 6 . 1 1 12 12 ARG CB C 12 31.013 31.013 30.895 0.117 18301 2039 1 6 . 1 1 12 12 ARG H H 12 9.300 9.300 8.789 0.511 18301 2040 1 6 . 1 1 13 13 VAL N N 13 126.780 126.780 127.578 -0.798 18301 2041 1 6 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.159 0.352 18301 2042 1 6 . 1 1 13 13 VAL C C 13 174.564 174.564 176.177 -1.613 18301 2043 1 6 . 1 1 13 13 VAL CA C 13 61.785 61.785 63.281 -1.496 18301 2044 1 6 . 1 1 13 13 VAL CB C 13 33.706 33.706 31.994 1.712 18301 2045 1 6 . 1 1 13 13 VAL H H 13 8.110 8.110 8.340 -0.230 18301 2046 1 6 . 1 1 14 14 GLU N N 14 126.510 126.510 127.212 -0.702 18301 2047 1 6 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.492 0.173 18301 2048 1 6 . 1 1 14 14 GLU C C 14 176.426 176.426 177.295 -0.869 18301 2049 1 6 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.349 -0.966 18301 2050 1 6 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.622 0.999 18301 2051 1 6 . 1 1 14 14 GLU H H 14 9.100 9.100 9.204 -0.104 18301 2052 1 6 . 1 1 15 15 GLY N N 15 108.020 108.020 107.917 0.103 18301 2053 1 6 . 1 1 15 15 GLY C C 15 175.884 175.884 174.394 1.490 18301 2054 1 6 . 1 1 15 15 GLY CA C 15 44.900 44.900 44.678 0.222 18301 2055 1 6 . 1 1 15 15 GLY H H 15 8.680 8.680 7.714 0.966 18301 2056 1 6 . 1 1 16 16 MET N N 16 120.590 120.590 119.325 1.265 18301 2057 1 6 . 1 1 16 16 MET HA H 16 4.880 4.880 4.209 0.671 18301 2058 1 6 . 1 1 16 16 MET C C 16 177.342 177.342 175.580 1.762 18301 2059 1 6 . 1 1 16 16 MET CA C 16 56.672 56.672 56.577 0.095 18301 2060 1 6 . 1 1 16 16 MET H H 16 9.033 9.033 7.926 1.107 18301 2061 1 6 . 1 1 17 17 THR N N 17 123.321 123.321 119.162 4.159 18301 2062 1 6 . 1 1 17 17 THR C C 17 176.231 176.231 174.206 2.025 18301 2063 1 6 . 1 1 17 17 THR CA C 17 57.114 57.114 61.097 -3.983 18301 2064 1 6 . 1 1 17 17 THR H H 17 8.591 8.591 8.070 0.521 18301 2065 1 6 . 1 1 18 18 CYS N N 18 120.560 120.560 119.673 0.887 18301 2066 1 6 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.614 0.446 18301 2067 1 6 . 1 1 18 18 CYS C C 18 174.467 174.467 175.273 -0.806 18301 2068 1 6 . 1 1 18 18 CYS CA C 18 57.500 57.500 59.649 -2.149 18301 2069 1 6 . 1 1 18 18 CYS CB C 18 30.996 30.996 26.927 4.069 18301 2070 1 6 . 1 1 18 18 CYS H H 18 8.809 8.809 8.735 0.074 18301 2071 1 6 . 1 1 20 20 SER N N 20 123.434 123.434 113.782 9.652 18301 2072 1 6 . 1 1 20 20 SER HA H 20 4.461 4.461 4.014 0.447 18301 2073 1 6 . 1 1 20 20 SER C C 20 177.009 177.009 175.120 1.889 18301 2074 1 6 . 1 1 20 20 SER CA C 20 62.214 62.214 58.340 3.874 18301 2075 1 6 . 1 1 20 20 SER H H 20 8.297 8.297 8.345 -0.048 18301 2076 1 6 . 1 1 21 21 CYS N N 21 125.740 125.740 117.923 7.817 18301 2077 1 6 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.193 -0.133 18301 2078 1 6 . 1 1 21 21 CYS C C 21 177.495 177.495 176.304 1.191 18301 2079 1 6 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.255 2.291 18301 2080 1 6 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.418 1.382 18301 2081 1 6 . 1 1 21 21 CYS H H 21 7.861 7.861 8.717 -0.856 18301 2082 1 6 . 1 1 22 22 VAL N N 22 118.130 118.130 120.481 -2.351 18301 2083 1 6 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.445 -0.235 18301 2084 1 6 . 1 1 22 22 VAL C C 22 177.843 177.843 177.781 0.062 18301 2085 1 6 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.562 -0.137 18301 2086 1 6 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.145 0.390 18301 2087 1 6 . 1 1 22 22 VAL H H 22 6.860 6.860 8.117 -1.257 18301 2088 1 6 . 1 1 23 23 SER N N 23 112.820 112.820 114.347 -1.527 18301 2089 1 6 . 1 1 23 23 SER HA H 23 4.220 4.220 4.151 0.069 18301 2090 1 6 . 1 1 23 23 SER C C 23 178.162 178.162 176.561 1.601 18301 2091 1 6 . 1 1 23 23 SER CA C 23 61.398 61.398 61.864 -0.466 18301 2092 1 6 . 1 1 23 23 SER CB C 23 62.550 62.550 62.742 -0.192 18301 2093 1 6 . 1 1 23 23 SER H H 23 8.341 8.341 7.724 0.617 18301 2094 1 6 . 1 1 24 24 SER N N 24 119.341 119.341 117.812 1.529 18301 2095 1 6 . 1 1 24 24 SER HA H 24 4.859 4.859 4.263 0.596 18301 2096 1 6 . 1 1 24 24 SER C C 24 176.856 176.856 176.567 0.289 18301 2097 1 6 . 1 1 24 24 SER CA C 24 61.570 61.570 61.304 0.265 18301 2098 1 6 . 1 1 24 24 SER CB C 24 62.506 62.506 63.210 -0.704 18301 2099 1 6 . 1 1 24 24 SER H H 24 8.286 8.286 7.546 0.740 18301 2100 1 6 . 1 1 25 25 ILE N N 25 122.340 122.340 122.513 -0.173 18301 2101 1 6 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.919 -0.327 18301 2102 1 6 . 1 1 25 25 ILE C C 25 177.912 177.912 178.022 -0.110 18301 2103 1 6 . 1 1 25 25 ILE CA C 25 66.038 66.038 65.117 0.921 18301 2104 1 6 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.921 0.564 18301 2105 1 6 . 1 1 25 25 ILE H H 25 8.057 8.057 8.611 -0.554 18301 2106 1 6 . 1 1 26 26 GLU N N 26 117.081 117.081 119.950 -2.869 18301 2107 1 6 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.005 -0.450 18301 2108 1 6 . 1 1 26 26 GLU C C 26 178.523 178.523 179.555 -1.032 18301 2109 1 6 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.957 0.668 18301 2110 1 6 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.380 0.441 18301 2111 1 6 . 1 1 26 26 GLU H H 26 8.504 8.504 7.833 0.671 18301 2112 1 6 . 1 1 27 27 GLY N N 27 102.731 102.731 106.473 -3.742 18301 2113 1 6 . 1 1 27 27 GLY C C 27 175.925 175.925 176.415 -0.490 18301 2114 1 6 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.559 0.274 18301 2115 1 6 . 1 1 27 27 GLY H H 27 8.231 8.231 7.916 0.315 18301 2116 1 6 . 1 1 28 28 LYS N N 28 119.316 119.316 122.224 -2.908 18301 2117 1 6 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.163 -0.053 18301 2118 1 6 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.179 0.850 18301 2119 1 6 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.008 0.908 18301 2120 1 6 . 1 1 28 28 LYS H H 28 7.640 7.640 7.627 0.013 18301 2121 1 6 . 1 1 29 29 VAL N N 29 118.845 118.845 119.440 -0.595 18301 2122 1 6 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.699 -0.249 18301 2123 1 6 . 1 1 29 29 VAL C C 29 177.259 177.259 177.876 -0.617 18301 2124 1 6 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.453 0.284 18301 2125 1 6 . 1 1 29 29 VAL CB C 29 31.317 31.317 32.056 -0.739 18301 2126 1 6 . 1 1 29 29 VAL H H 29 8.577 8.577 7.647 0.930 18301 2127 1 6 . 1 1 30 30 ARG N N 30 115.480 115.480 118.368 -2.888 18301 2128 1 6 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.087 -0.267 18301 2129 1 6 . 1 1 30 30 ARG C C 30 176.717 176.717 177.295 -0.578 18301 2130 1 6 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.418 0.230 18301 2131 1 6 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.048 0.053 18301 2132 1 6 . 1 1 30 30 ARG H H 30 8.083 8.083 7.505 0.578 18301 2133 1 6 . 1 1 31 31 LYS N N 31 114.395 114.395 116.150 -1.755 18301 2134 1 6 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.289 -0.098 18301 2135 1 6 . 1 1 31 31 LYS C C 31 176.870 176.870 176.761 0.109 18301 2136 1 6 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.594 0.648 18301 2137 1 6 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.908 0.016 18301 2138 1 6 . 1 1 31 31 LYS H H 31 6.757 6.757 7.917 -1.160 18301 2139 1 6 . 1 1 32 32 LEU N N 32 121.290 121.290 122.019 -0.729 18301 2140 1 6 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.195 -0.100 18301 2141 1 6 . 1 1 32 32 LEU C C 32 177.398 177.398 177.172 0.226 18301 2142 1 6 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.122 -0.469 18301 2143 1 6 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.928 -0.620 18301 2144 1 6 . 1 1 32 32 LEU H H 32 7.386 7.386 7.416 -0.030 18301 2145 1 6 . 1 1 33 33 GLN N N 33 124.330 124.330 124.252 0.078 18301 2146 1 6 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.220 -0.130 18301 2147 1 6 . 1 1 33 33 GLN C C 33 175.661 175.661 177.541 -1.880 18301 2148 1 6 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.739 -0.844 18301 2149 1 6 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.203 -1.125 18301 2150 1 6 . 1 1 33 33 GLN H H 33 8.650 8.650 8.538 0.112 18301 2151 1 6 . 1 1 34 34 GLY N N 34 109.990 109.990 107.815 2.175 18301 2152 1 6 . 1 1 34 34 GLY C C 34 173.911 173.911 175.247 -1.336 18301 2153 1 6 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.768 -0.224 18301 2154 1 6 . 1 1 34 34 GLY H H 34 8.759 8.759 8.215 0.544 18301 2155 1 6 . 1 1 35 35 VAL N N 35 119.540 119.540 121.335 -1.795 18301 2156 1 6 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.864 -0.014 18301 2157 1 6 . 1 1 35 35 VAL C C 35 175.759 175.759 175.817 -0.058 18301 2158 1 6 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.699 0.104 18301 2159 1 6 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.643 -1.217 18301 2160 1 6 . 1 1 35 35 VAL H H 35 7.600 7.600 7.774 -0.174 18301 2161 1 6 . 1 1 36 36 VAL N N 36 130.030 130.030 124.487 5.543 18301 2162 1 6 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.077 -0.165 18301 2163 1 6 . 1 1 36 36 VAL C C 36 176.023 176.023 175.373 0.650 18301 2164 1 6 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.946 0.254 18301 2165 1 6 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.697 0.983 18301 2166 1 6 . 1 1 36 36 VAL H H 36 9.141 9.141 8.914 0.227 18301 2167 1 6 . 1 1 37 37 ARG N N 37 116.750 116.750 113.536 3.214 18301 2168 1 6 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.491 0.150 18301 2169 1 6 . 1 1 37 37 ARG C C 37 173.230 173.230 173.338 -0.108 18301 2170 1 6 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.145 0.436 18301 2171 1 6 . 1 1 37 37 ARG CB C 37 33.937 33.937 32.956 0.981 18301 2172 1 6 . 1 1 37 37 ARG H H 37 7.859 7.859 7.708 0.151 18301 2173 1 6 . 1 1 38 38 VAL N N 38 119.900 119.900 120.854 -0.954 18301 2174 1 6 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.778 0.201 18301 2175 1 6 . 1 1 38 38 VAL C C 38 171.841 171.841 174.279 -2.438 18301 2176 1 6 . 1 1 38 38 VAL CA C 38 59.637 59.637 59.888 -0.251 18301 2177 1 6 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.715 -1.356 18301 2178 1 6 . 1 1 38 38 VAL H H 38 8.785 8.785 8.704 0.081 18301 2179 1 6 . 1 1 39 39 LYS N N 39 126.750 126.750 129.291 -2.541 18301 2180 1 6 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.665 0.145 18301 2181 1 6 . 1 1 39 39 LYS C C 39 175.634 175.634 174.899 0.735 18301 2182 1 6 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.440 -0.002 18301 2183 1 6 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.587 0.770 18301 2184 1 6 . 1 1 39 39 LYS H H 39 8.360 8.360 8.749 -0.389 18301 2185 1 6 . 1 1 40 40 VAL N N 40 131.410 131.410 126.578 4.832 18301 2186 1 6 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.396 0.391 18301 2187 1 6 . 1 1 40 40 VAL C C 40 173.522 173.522 175.062 -1.540 18301 2188 1 6 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.343 -0.375 18301 2189 1 6 . 1 1 40 40 VAL CB C 40 32.403 32.403 34.091 -1.688 18301 2190 1 6 . 1 1 40 40 VAL H H 40 10.183 10.183 8.676 1.507 18301 2191 1 6 . 1 1 41 41 SER N N 41 120.470 120.470 121.768 -1.298 18301 2192 1 6 . 1 1 41 41 SER HA H 41 4.852 4.852 4.799 0.053 18301 2193 1 6 . 1 1 41 41 SER C C 41 175.217 175.217 175.007 0.210 18301 2194 1 6 . 1 1 41 41 SER CA C 41 55.039 55.039 55.852 -0.813 18301 2195 1 6 . 1 1 41 41 SER CB C 41 64.710 64.710 63.562 1.148 18301 2196 1 6 . 1 1 41 41 SER H H 41 8.868 8.868 8.313 0.555 18301 2197 1 6 . 1 1 42 42 LEU N N 42 130.390 130.390 128.089 2.301 18301 2198 1 6 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.418 0.392 18301 2199 1 6 . 1 1 42 42 LEU C C 42 179.982 179.982 177.366 2.616 18301 2200 1 6 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.961 0.914 18301 2201 1 6 . 1 1 42 42 LEU CB C 42 42.030 42.030 40.771 1.259 18301 2202 1 6 . 1 1 42 42 LEU H H 42 8.998 8.998 8.875 0.123 18301 2203 1 6 . 1 1 44 44 ASN N N 44 116.079 116.079 117.792 -1.713 18301 2204 1 6 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.901 -0.057 18301 2205 1 6 . 1 1 44 44 ASN C C 44 173.786 173.786 174.322 -0.536 18301 2206 1 6 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.466 -0.176 18301 2207 1 6 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.117 -0.937 18301 2208 1 6 . 1 1 44 44 ASN H H 44 7.812 7.812 7.450 0.362 18301 2209 1 6 . 1 1 45 45 GLN N N 45 117.658 117.658 114.949 2.709 18301 2210 1 6 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.907 -0.306 18301 2211 1 6 . 1 1 45 45 GLN C C 45 175.314 175.314 174.092 1.222 18301 2212 1 6 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.252 -0.322 18301 2213 1 6 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.431 -0.370 18301 2214 1 6 . 1 1 45 45 GLN H H 45 7.679 7.679 7.778 -0.099 18301 2215 1 6 . 1 1 46 46 GLU N N 46 116.510 116.510 116.243 0.267 18301 2216 1 6 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.748 0.946 18301 2217 1 6 . 1 1 46 46 GLU C C 46 173.869 173.869 173.836 0.033 18301 2218 1 6 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.917 0.478 18301 2219 1 6 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.138 1.393 18301 2220 1 6 . 1 1 46 46 GLU H H 46 7.780 7.780 7.735 0.045 18301 2221 1 6 . 1 1 47 47 ALA N N 47 124.870 124.870 122.275 2.595 18301 2222 1 6 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.663 0.444 18301 2223 1 6 . 1 1 47 47 ALA C C 47 174.758 174.758 174.941 -0.183 18301 2224 1 6 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.922 -1.124 18301 2225 1 6 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.840 0.236 18301 2226 1 6 . 1 1 47 47 ALA H H 47 9.170 9.170 8.916 0.254 18301 2227 1 6 . 1 1 48 48 VAL N N 48 123.890 123.890 124.840 -0.950 18301 2228 1 6 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.567 0.005 18301 2229 1 6 . 1 1 48 48 VAL C C 48 176.217 176.217 174.757 1.460 18301 2230 1 6 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.277 1.367 18301 2231 1 6 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.467 -0.933 18301 2232 1 6 . 1 1 48 48 VAL H H 48 8.930 8.930 8.975 -0.045 18301 2233 1 6 . 1 1 49 49 ILE N N 49 129.890 129.890 128.823 1.067 18301 2234 1 6 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.432 0.408 18301 2235 1 6 . 1 1 49 49 ILE C C 49 174.619 174.619 174.931 -0.312 18301 2236 1 6 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.530 -0.120 18301 2237 1 6 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.195 0.722 18301 2238 1 6 . 1 1 49 49 ILE H H 49 9.340 9.340 9.325 0.015 18301 2239 1 6 . 1 1 50 50 THR N N 50 125.910 125.910 124.786 1.124 18301 2240 1 6 . 1 1 50 50 THR HA H 50 5.486 5.486 4.773 0.713 18301 2241 1 6 . 1 1 50 50 THR C C 50 174.286 174.286 173.787 0.499 18301 2242 1 6 . 1 1 50 50 THR CA C 50 61.871 61.871 62.589 -0.718 18301 2243 1 6 . 1 1 50 50 THR CB C 50 68.762 68.762 69.290 -0.528 18301 2244 1 6 . 1 1 50 50 THR H H 50 9.225 9.225 9.033 0.192 18301 2245 1 6 . 1 1 51 51 TYR N N 51 127.720 127.720 125.978 1.742 18301 2246 1 6 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.015 0.650 18301 2247 1 6 . 1 1 51 51 TYR C C 51 171.758 171.758 172.781 -1.023 18301 2248 1 6 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.594 -0.469 18301 2249 1 6 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.277 1.267 18301 2250 1 6 . 1 1 51 51 TYR H H 51 9.846 9.846 9.352 0.494 18301 2251 1 6 . 1 1 52 52 GLN N N 52 120.470 120.470 117.873 2.597 18301 2252 1 6 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.575 0.448 18301 2253 1 6 . 1 1 52 52 GLN C C 52 175.286 175.286 173.878 1.408 18301 2254 1 6 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.955 0.034 18301 2255 1 6 . 1 1 52 52 GLN H H 52 9.072 9.072 8.483 0.589 18301 2256 1 6 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.487 -0.769 18301 2257 1 6 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.139 0.264 18301 2258 1 6 . 1 1 54 54 TYR N N 54 114.650 114.650 117.419 -2.769 18301 2259 1 6 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.473 -0.072 18301 2260 1 6 . 1 1 54 54 TYR C C 54 175.689 175.689 175.256 0.433 18301 2261 1 6 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.965 -0.231 18301 2262 1 6 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.857 -1.285 18301 2263 1 6 . 1 1 54 54 TYR H H 54 8.158 8.158 8.216 -0.058 18301 2264 1 6 . 1 1 55 55 LEU N N 55 117.788 117.788 117.879 -0.091 18301 2265 1 6 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.408 0.004 18301 2266 1 6 . 1 1 55 55 LEU C C 55 175.786 175.786 176.904 -1.118 18301 2267 1 6 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.902 0.137 18301 2268 1 6 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.425 2.443 18301 2269 1 6 . 1 1 55 55 LEU H H 55 7.968 7.968 7.317 0.651 18301 2270 1 6 . 1 1 56 56 ILE N N 56 121.565 121.565 117.338 4.227 18301 2271 1 6 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.365 0.056 18301 2272 1 6 . 1 1 56 56 ILE C C 56 170.396 170.396 174.222 -3.826 18301 2273 1 6 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.061 2.294 18301 2274 1 6 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.674 -0.887 18301 2275 1 6 . 1 1 56 56 ILE H H 56 8.211 8.211 7.740 0.470 18301 2276 1 6 . 1 1 57 57 GLN N N 57 119.400 119.400 124.601 -5.201 18301 2277 1 6 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.866 0.127 18301 2278 1 6 . 1 1 57 57 GLN C C 57 175.911 175.911 174.952 0.959 18301 2279 1 6 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.374 -2.127 18301 2280 1 6 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.371 0.513 18301 2281 1 6 . 1 1 57 57 GLN H H 57 7.953 7.953 8.718 -0.765 18301 2282 1 6 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.587 0.493 18301 2283 1 6 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.867 -0.068 18301 2284 1 6 . 1 1 59 59 GLU N N 59 116.700 116.700 118.462 -1.762 18301 2285 1 6 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.976 -0.399 18301 2286 1 6 . 1 1 59 59 GLU C C 59 177.634 177.634 178.442 -0.808 18301 2287 1 6 . 1 1 59 59 GLU CA C 59 61.355 61.355 60.043 1.312 18301 2288 1 6 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.714 -0.307 18301 2289 1 6 . 1 1 59 59 GLU H H 59 9.588 9.588 8.622 0.966 18301 2290 1 6 . 1 1 60 60 ASP N N 60 116.670 116.670 118.558 -1.888 18301 2291 1 6 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.627 -0.356 18301 2292 1 6 . 1 1 60 60 ASP C C 60 178.898 178.898 178.727 0.171 18301 2293 1 6 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.232 -0.345 18301 2294 1 6 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.763 -0.037 18301 2295 1 6 . 1 1 60 60 ASP H H 60 6.994 6.994 8.344 -1.350 18301 2296 1 6 . 1 1 61 61 LEU N N 61 120.023 120.023 118.340 1.683 18301 2297 1 6 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.223 -0.464 18301 2298 1 6 . 1 1 61 61 LEU C C 61 177.009 177.009 178.248 -1.239 18301 2299 1 6 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.425 0.794 18301 2300 1 6 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.300 0.265 18301 2301 1 6 . 1 1 61 61 LEU H H 61 7.220 7.220 7.509 -0.289 18301 2302 1 6 . 1 1 62 62 ARG N N 62 117.758 117.758 119.684 -1.926 18301 2303 1 6 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.936 0.774 18301 2304 1 6 . 1 1 62 62 ARG C C 62 177.676 177.676 177.913 -0.237 18301 2305 1 6 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.953 -0.530 18301 2306 1 6 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.688 -0.717 18301 2307 1 6 . 1 1 62 62 ARG H H 62 8.034 8.034 7.721 0.313 18301 2308 1 6 . 1 1 63 63 ASP N N 63 119.490 119.490 118.153 1.337 18301 2309 1 6 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.366 0.022 18301 2310 1 6 . 1 1 63 63 ASP C C 63 178.190 178.190 178.425 -0.235 18301 2311 1 6 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.377 0.283 18301 2312 1 6 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.330 -1.237 18301 2313 1 6 . 1 1 63 63 ASP H H 63 8.187 8.187 7.844 0.343 18301 2314 1 6 . 1 1 64 64 HIS N N 64 119.289 119.289 119.961 -0.672 18301 2315 1 6 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.281 0.078 18301 2316 1 6 . 1 1 64 64 HIS C C 64 178.607 178.607 177.645 0.962 18301 2317 1 6 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.826 1.498 18301 2318 1 6 . 1 1 64 64 HIS CB C 64 30.400 30.400 30.097 0.303 18301 2319 1 6 . 1 1 64 64 HIS H H 64 8.250 8.250 7.378 0.872 18301 2320 1 6 . 1 1 65 65 VAL N N 65 119.590 119.590 118.177 1.413 18301 2321 1 6 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.610 0.112 18301 2322 1 6 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.159 0.781 18301 2323 1 6 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.780 0.033 18301 2324 1 6 . 1 1 65 65 VAL H H 65 7.638 7.638 7.715 -0.077 18301 2325 1 6 . 1 1 66 66 ASN N N 66 121.680 121.680 117.470 4.210 18301 2326 1 6 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.656 0.494 18301 2327 1 6 . 1 1 66 66 ASN C C 66 180.454 180.454 177.069 3.385 18301 2328 1 6 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.477 0.206 18301 2329 1 6 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.460 -0.474 18301 2330 1 6 . 1 1 66 66 ASN H H 66 8.461 8.461 7.983 0.478 18301 2331 1 6 . 1 1 67 67 ASP N N 67 120.750 120.750 120.211 0.539 18301 2332 1 6 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.427 0.013 18301 2333 1 6 . 1 1 67 67 ASP C C 67 177.537 177.537 177.412 0.125 18301 2334 1 6 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.096 0.532 18301 2335 1 6 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.734 -0.251 18301 2336 1 6 . 1 1 67 67 ASP H H 67 8.385 8.385 7.713 0.672 18301 2337 1 6 . 1 1 68 68 MET N N 68 116.510 116.510 115.897 0.613 18301 2338 1 6 . 1 1 68 68 MET HA H 68 4.287 4.287 4.265 0.022 18301 2339 1 6 . 1 1 68 68 MET C C 68 176.064 176.064 176.335 -0.271 18301 2340 1 6 . 1 1 68 68 MET CA C 68 56.672 56.672 55.537 1.135 18301 2341 1 6 . 1 1 68 68 MET CB C 68 33.933 33.933 33.078 0.855 18301 2342 1 6 . 1 1 68 68 MET H H 68 7.680 7.680 7.794 -0.114 18301 2343 1 6 . 1 1 69 69 GLY N N 69 105.290 105.290 106.255 -0.965 18301 2344 1 6 . 1 1 69 69 GLY C C 69 173.640 173.640 174.178 -0.538 18301 2345 1 6 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.009 -0.253 18301 2346 1 6 . 1 1 69 69 GLY H H 69 8.049 8.049 7.931 0.118 18301 2347 1 6 . 1 1 70 70 PHE N N 70 118.850 118.850 120.315 -1.465 18301 2348 1 6 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.640 0.096 18301 2349 1 6 . 1 1 70 70 PHE C C 70 172.772 172.772 174.705 -1.933 18301 2350 1 6 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.443 0.416 18301 2351 1 6 . 1 1 70 70 PHE CB C 70 40.570 40.570 39.914 0.655 18301 2352 1 6 . 1 1 70 70 PHE H H 70 6.689 6.689 7.608 -0.919 18301 2353 1 6 . 1 1 71 71 GLU N N 71 118.550 118.550 119.071 -0.521 18301 2354 1 6 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.603 0.107 18301 2355 1 6 . 1 1 71 71 GLU C C 71 175.370 175.370 175.084 0.286 18301 2356 1 6 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.175 0.724 18301 2357 1 6 . 1 1 71 71 GLU CB C 71 30.709 30.709 31.295 -0.586 18301 2358 1 6 . 1 1 71 71 GLU H H 71 8.030 8.030 8.836 -0.806 18301 2359 1 6 . 1 1 72 72 ALA N N 72 129.745 129.745 127.662 2.083 18301 2360 1 6 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.362 0.554 18301 2361 1 6 . 1 1 72 72 ALA C C 72 176.245 176.245 175.944 0.301 18301 2362 1 6 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.550 -0.881 18301 2363 1 6 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.721 0.774 18301 2364 1 6 . 1 1 72 72 ALA H H 72 9.580 9.580 8.683 0.897 18301 2365 1 6 . 1 1 73 73 ALA N N 73 121.581 121.581 125.179 -3.598 18301 2366 1 6 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.838 -0.317 18301 2367 1 6 . 1 1 73 73 ALA C C 73 176.162 176.162 176.177 -0.015 18301 2368 1 6 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.145 0.598 18301 2369 1 6 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.859 0.770 18301 2370 1 6 . 1 1 73 73 ALA H H 73 8.633 8.633 8.320 0.313 18301 2371 1 6 . 1 1 74 74 ILE N N 74 123.360 123.360 123.051 0.309 18301 2372 1 6 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.864 0.130 18301 2373 1 6 . 1 1 74 74 ILE C C 74 176.217 176.217 177.216 -0.999 18301 2374 1 6 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.118 1.213 18301 2375 1 6 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.453 0.858 18301 2376 1 6 . 1 1 74 74 ILE H H 74 8.962 8.962 8.618 0.344 18301 2377 1 6 . 1 1 75 75 LYS N N 75 130.310 130.310 128.312 1.998 18301 2378 1 6 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.012 0.541 18301 2379 1 6 . 1 1 75 75 LYS C C 75 175.217 175.217 176.440 -1.223 18301 2380 1 6 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.437 -1.980 18301 2381 1 6 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.424 0.848 18301 2382 1 6 . 1 1 75 75 LYS H H 75 8.842 8.842 8.263 0.579 18301 2383 1 7 . 1 1 4 4 MET N N 4 121.245 121.245 118.533 2.712 18301 2384 1 7 . 1 1 4 4 MET HA H 4 4.302 4.302 4.618 -0.316 18301 2385 1 7 . 1 1 4 4 MET C C 4 175.828 175.828 176.297 -0.469 18301 2386 1 7 . 1 1 4 4 MET CA C 4 56.414 56.414 55.642 0.772 18301 2387 1 7 . 1 1 4 4 MET CB C 4 32.361 32.361 33.004 -0.643 18301 2388 1 7 . 1 1 4 4 MET H H 4 8.363 8.363 8.105 0.258 18301 2389 1 7 . 1 1 5 5 GLN N N 5 121.670 121.670 118.640 3.030 18301 2390 1 7 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.202 0.048 18301 2391 1 7 . 1 1 5 5 GLN C C 5 175.245 175.245 174.702 0.543 18301 2392 1 7 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.277 0.223 18301 2393 1 7 . 1 1 5 5 GLN CB C 5 29.319 29.319 28.993 0.326 18301 2394 1 7 . 1 1 5 5 GLN H H 5 8.266 8.266 7.987 0.279 18301 2395 1 7 . 1 1 6 6 GLU N N 6 120.500 120.500 117.495 3.005 18301 2396 1 7 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.258 0.519 18301 2397 1 7 . 1 1 6 6 GLU C C 6 174.619 174.619 174.661 -0.042 18301 2398 1 7 . 1 1 6 6 GLU CA C 6 55.039 55.039 54.898 0.141 18301 2399 1 7 . 1 1 6 6 GLU CB C 6 32.664 32.664 30.900 1.764 18301 2400 1 7 . 1 1 6 6 GLU H H 6 8.238 8.238 7.590 0.648 18301 2401 1 7 . 1 1 7 7 ALA N N 7 125.790 125.790 126.649 -0.859 18301 2402 1 7 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.754 -0.192 18301 2403 1 7 . 1 1 7 7 ALA C C 7 173.633 173.633 175.506 -1.873 18301 2404 1 7 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.835 -0.565 18301 2405 1 7 . 1 1 7 7 ALA CB C 7 22.412 22.412 20.850 1.562 18301 2406 1 7 . 1 1 7 7 ALA H H 7 8.838 8.838 8.202 0.636 18301 2407 1 7 . 1 1 8 8 VAL N N 8 117.770 117.770 121.258 -3.488 18301 2408 1 7 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.181 0.185 18301 2409 1 7 . 1 1 8 8 VAL C C 8 176.717 176.717 175.391 1.326 18301 2410 1 7 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.416 0.166 18301 2411 1 7 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.879 0.044 18301 2412 1 7 . 1 1 8 8 VAL H H 8 8.340 8.340 8.394 -0.054 18301 2413 1 7 . 1 1 9 9 VAL N N 9 128.140 128.140 125.934 2.206 18301 2414 1 7 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.487 0.338 18301 2415 1 7 . 1 1 9 9 VAL C C 9 170.910 170.910 173.825 -2.915 18301 2416 1 7 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.723 -0.602 18301 2417 1 7 . 1 1 9 9 VAL CB C 9 34.879 34.879 35.490 -0.611 18301 2418 1 7 . 1 1 9 9 VAL H H 9 9.560 9.560 9.273 0.287 18301 2419 1 7 . 1 1 10 10 LYS N N 10 126.441 126.441 127.975 -1.534 18301 2420 1 7 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.248 0.148 18301 2421 1 7 . 1 1 10 10 LYS C C 10 175.078 175.078 175.074 0.004 18301 2422 1 7 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.140 0.255 18301 2423 1 7 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.663 0.521 18301 2424 1 7 . 1 1 10 10 LYS H H 10 8.821 8.821 8.352 0.469 18301 2425 1 7 . 1 1 11 11 LEU N N 11 119.930 119.930 123.228 -3.298 18301 2426 1 7 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.763 0.608 18301 2427 1 7 . 1 1 11 11 LEU C C 11 177.801 177.801 175.648 2.153 18301 2428 1 7 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.979 -2.076 18301 2429 1 7 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.450 -2.536 18301 2430 1 7 . 1 1 11 11 LEU H H 11 9.277 9.277 9.059 0.218 18301 2431 1 7 . 1 1 12 12 ARG N N 12 125.200 125.200 121.239 3.961 18301 2432 1 7 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.512 0.392 18301 2433 1 7 . 1 1 12 12 ARG C C 12 175.773 175.773 175.259 0.514 18301 2434 1 7 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.640 0.001 18301 2435 1 7 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.331 -0.318 18301 2436 1 7 . 1 1 12 12 ARG H H 12 9.300 9.300 8.165 1.135 18301 2437 1 7 . 1 1 13 13 VAL N N 13 126.780 126.780 127.423 -0.643 18301 2438 1 7 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.203 0.308 18301 2439 1 7 . 1 1 13 13 VAL C C 13 174.564 174.564 175.666 -1.102 18301 2440 1 7 . 1 1 13 13 VAL CA C 13 61.785 61.785 61.685 0.100 18301 2441 1 7 . 1 1 13 13 VAL CB C 13 33.706 33.706 31.943 1.763 18301 2442 1 7 . 1 1 13 13 VAL H H 13 8.110 8.110 8.296 -0.186 18301 2443 1 7 . 1 1 14 14 GLU N N 14 126.510 126.510 125.847 0.663 18301 2444 1 7 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.464 0.201 18301 2445 1 7 . 1 1 14 14 GLU C C 14 176.426 176.426 177.574 -1.148 18301 2446 1 7 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.310 -0.927 18301 2447 1 7 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.267 1.354 18301 2448 1 7 . 1 1 14 14 GLU H H 14 9.100 9.100 8.861 0.239 18301 2449 1 7 . 1 1 15 15 GLY N N 15 108.020 108.020 107.900 0.120 18301 2450 1 7 . 1 1 15 15 GLY C C 15 175.884 175.884 174.056 1.828 18301 2451 1 7 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.057 -0.157 18301 2452 1 7 . 1 1 15 15 GLY H H 15 8.680 8.680 8.045 0.635 18301 2453 1 7 . 1 1 16 16 MET N N 16 120.590 120.590 119.350 1.240 18301 2454 1 7 . 1 1 16 16 MET HA H 16 4.880 4.880 4.441 0.439 18301 2455 1 7 . 1 1 16 16 MET C C 16 177.342 177.342 175.851 1.491 18301 2456 1 7 . 1 1 16 16 MET CA C 16 56.672 56.672 57.111 -0.439 18301 2457 1 7 . 1 1 16 16 MET H H 16 9.033 9.033 7.836 1.197 18301 2458 1 7 . 1 1 17 17 THR N N 17 123.321 123.321 118.524 4.797 18301 2459 1 7 . 1 1 17 17 THR C C 17 176.231 176.231 173.869 2.362 18301 2460 1 7 . 1 1 17 17 THR CA C 17 57.114 57.114 62.542 -5.428 18301 2461 1 7 . 1 1 17 17 THR H H 17 8.591 8.591 8.489 0.102 18301 2462 1 7 . 1 1 18 18 CYS N N 18 120.560 120.560 120.689 -0.129 18301 2463 1 7 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.755 0.305 18301 2464 1 7 . 1 1 18 18 CYS C C 18 174.467 174.467 173.945 0.522 18301 2465 1 7 . 1 1 18 18 CYS CA C 18 57.500 57.500 57.790 -0.290 18301 2466 1 7 . 1 1 18 18 CYS CB C 18 30.996 30.996 30.474 0.521 18301 2467 1 7 . 1 1 18 18 CYS H H 18 8.809 8.809 8.114 0.695 18301 2468 1 7 . 1 1 20 20 SER N N 20 123.434 123.434 118.150 5.284 18301 2469 1 7 . 1 1 20 20 SER HA H 20 4.461 4.461 4.488 -0.027 18301 2470 1 7 . 1 1 20 20 SER C C 20 177.009 177.009 175.819 1.190 18301 2471 1 7 . 1 1 20 20 SER CA C 20 62.214 62.214 58.575 3.639 18301 2472 1 7 . 1 1 20 20 SER H H 20 8.297 8.297 8.581 -0.284 18301 2473 1 7 . 1 1 21 21 CYS N N 21 125.740 125.740 122.893 2.847 18301 2474 1 7 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.390 -0.330 18301 2475 1 7 . 1 1 21 21 CYS C C 21 177.495 177.495 176.593 0.902 18301 2476 1 7 . 1 1 21 21 CYS CA C 21 63.546 63.546 63.156 0.391 18301 2477 1 7 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.185 1.615 18301 2478 1 7 . 1 1 21 21 CYS H H 21 7.861 7.861 7.871 -0.010 18301 2479 1 7 . 1 1 22 22 VAL N N 22 118.130 118.130 118.255 -0.125 18301 2480 1 7 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.557 -0.347 18301 2481 1 7 . 1 1 22 22 VAL C C 22 177.843 177.843 177.839 0.004 18301 2482 1 7 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.995 -0.570 18301 2483 1 7 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.395 0.139 18301 2484 1 7 . 1 1 22 22 VAL H H 22 6.860 6.860 8.614 -1.754 18301 2485 1 7 . 1 1 23 23 SER N N 23 112.820 112.820 112.812 0.008 18301 2486 1 7 . 1 1 23 23 SER HA H 23 4.220 4.220 4.067 0.153 18301 2487 1 7 . 1 1 23 23 SER C C 23 178.162 178.162 176.526 1.636 18301 2488 1 7 . 1 1 23 23 SER CA C 23 61.398 61.398 62.067 -0.669 18301 2489 1 7 . 1 1 23 23 SER CB C 23 62.550 62.550 62.749 -0.199 18301 2490 1 7 . 1 1 23 23 SER H H 23 8.341 8.341 8.440 -0.099 18301 2491 1 7 . 1 1 24 24 SER N N 24 119.341 119.341 116.819 2.522 18301 2492 1 7 . 1 1 24 24 SER HA H 24 4.859 4.859 4.316 0.543 18301 2493 1 7 . 1 1 24 24 SER C C 24 176.856 176.856 176.779 0.077 18301 2494 1 7 . 1 1 24 24 SER CA C 24 61.570 61.570 61.102 0.468 18301 2495 1 7 . 1 1 24 24 SER CB C 24 62.506 62.506 62.968 -0.462 18301 2496 1 7 . 1 1 24 24 SER H H 24 8.286 8.286 7.454 0.832 18301 2497 1 7 . 1 1 25 25 ILE N N 25 122.340 122.340 122.192 0.148 18301 2498 1 7 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.799 -0.207 18301 2499 1 7 . 1 1 25 25 ILE C C 25 177.912 177.912 177.144 0.768 18301 2500 1 7 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.306 1.732 18301 2501 1 7 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.464 1.021 18301 2502 1 7 . 1 1 25 25 ILE H H 25 8.057 8.057 7.733 0.324 18301 2503 1 7 . 1 1 26 26 GLU N N 26 117.081 117.081 119.997 -2.916 18301 2504 1 7 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.033 -0.478 18301 2505 1 7 . 1 1 26 26 GLU C C 26 178.523 178.523 179.101 -0.578 18301 2506 1 7 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.181 1.444 18301 2507 1 7 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.394 0.427 18301 2508 1 7 . 1 1 26 26 GLU H H 26 8.504 8.504 7.755 0.749 18301 2509 1 7 . 1 1 27 27 GLY N N 27 102.731 102.731 107.434 -4.703 18301 2510 1 7 . 1 1 27 27 GLY C C 27 175.925 175.925 176.136 -0.211 18301 2511 1 7 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.779 0.054 18301 2512 1 7 . 1 1 27 27 GLY H H 27 8.231 8.231 7.819 0.412 18301 2513 1 7 . 1 1 28 28 LYS N N 28 119.316 119.316 121.131 -1.815 18301 2514 1 7 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.044 0.066 18301 2515 1 7 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.766 0.263 18301 2516 1 7 . 1 1 28 28 LYS CB C 28 32.916 32.916 31.915 1.001 18301 2517 1 7 . 1 1 28 28 LYS H H 28 7.640 7.640 7.523 0.117 18301 2518 1 7 . 1 1 29 29 VAL N N 29 118.845 118.845 117.990 0.855 18301 2519 1 7 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.721 -0.271 18301 2520 1 7 . 1 1 29 29 VAL C C 29 177.259 177.259 178.245 -0.986 18301 2521 1 7 . 1 1 29 29 VAL CA C 29 65.737 65.737 66.135 -0.397 18301 2522 1 7 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.631 -0.315 18301 2523 1 7 . 1 1 29 29 VAL H H 29 8.577 8.577 7.599 0.978 18301 2524 1 7 . 1 1 30 30 ARG N N 30 115.480 115.480 117.032 -1.552 18301 2525 1 7 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.108 -0.288 18301 2526 1 7 . 1 1 30 30 ARG C C 30 176.717 176.717 177.360 -0.643 18301 2527 1 7 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.365 0.283 18301 2528 1 7 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.182 -0.081 18301 2529 1 7 . 1 1 30 30 ARG H H 30 8.083 8.083 7.599 0.484 18301 2530 1 7 . 1 1 31 31 LYS N N 31 114.395 114.395 116.425 -2.030 18301 2531 1 7 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.269 -0.078 18301 2532 1 7 . 1 1 31 31 LYS C C 31 176.870 176.870 177.004 -0.134 18301 2533 1 7 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.557 0.685 18301 2534 1 7 . 1 1 31 31 LYS CB C 31 32.924 32.924 33.023 -0.099 18301 2535 1 7 . 1 1 31 31 LYS H H 31 6.757 6.757 7.734 -0.977 18301 2536 1 7 . 1 1 32 32 LEU N N 32 121.290 121.290 121.477 -0.187 18301 2537 1 7 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.159 -0.064 18301 2538 1 7 . 1 1 32 32 LEU C C 32 177.398 177.398 177.136 0.262 18301 2539 1 7 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.309 0.344 18301 2540 1 7 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.980 -0.672 18301 2541 1 7 . 1 1 32 32 LEU H H 32 7.386 7.386 7.745 -0.359 18301 2542 1 7 . 1 1 33 33 GLN N N 33 124.330 124.330 124.643 -0.313 18301 2543 1 7 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.228 -0.138 18301 2544 1 7 . 1 1 33 33 GLN C C 33 175.661 175.661 177.141 -1.480 18301 2545 1 7 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.748 -0.853 18301 2546 1 7 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.045 -0.968 18301 2547 1 7 . 1 1 33 33 GLN H H 33 8.650 8.650 8.564 0.086 18301 2548 1 7 . 1 1 34 34 GLY N N 34 109.990 109.990 107.833 2.157 18301 2549 1 7 . 1 1 34 34 GLY C C 34 173.911 173.911 174.992 -1.081 18301 2550 1 7 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.185 0.359 18301 2551 1 7 . 1 1 34 34 GLY H H 34 8.759 8.759 7.941 0.818 18301 2552 1 7 . 1 1 35 35 VAL N N 35 119.540 119.540 121.270 -1.730 18301 2553 1 7 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.961 -0.111 18301 2554 1 7 . 1 1 35 35 VAL C C 35 175.759 175.759 176.107 -0.348 18301 2555 1 7 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.958 -0.155 18301 2556 1 7 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.818 -1.392 18301 2557 1 7 . 1 1 35 35 VAL H H 35 7.600 7.600 7.826 -0.226 18301 2558 1 7 . 1 1 36 36 VAL N N 36 130.030 130.030 126.047 3.983 18301 2559 1 7 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.069 -0.157 18301 2560 1 7 . 1 1 36 36 VAL C C 36 176.023 176.023 175.440 0.583 18301 2561 1 7 . 1 1 36 36 VAL CA C 36 64.200 64.200 64.092 0.108 18301 2562 1 7 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.654 1.026 18301 2563 1 7 . 1 1 36 36 VAL H H 36 9.141 9.141 9.062 0.079 18301 2564 1 7 . 1 1 37 37 ARG N N 37 116.750 116.750 114.210 2.540 18301 2565 1 7 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.543 0.098 18301 2566 1 7 . 1 1 37 37 ARG C C 37 173.230 173.230 173.361 -0.131 18301 2567 1 7 . 1 1 37 37 ARG CA C 37 55.581 55.581 54.626 0.955 18301 2568 1 7 . 1 1 37 37 ARG CB C 37 33.937 33.937 32.073 1.864 18301 2569 1 7 . 1 1 37 37 ARG H H 37 7.859 7.859 7.500 0.359 18301 2570 1 7 . 1 1 38 38 VAL N N 38 119.900 119.900 119.970 -0.070 18301 2571 1 7 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.498 0.481 18301 2572 1 7 . 1 1 38 38 VAL C C 38 171.841 171.841 175.024 -3.183 18301 2573 1 7 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.384 -0.747 18301 2574 1 7 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.432 -1.073 18301 2575 1 7 . 1 1 38 38 VAL H H 38 8.785 8.785 8.307 0.478 18301 2576 1 7 . 1 1 39 39 LYS N N 39 126.750 126.750 129.616 -2.866 18301 2577 1 7 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.461 0.349 18301 2578 1 7 . 1 1 39 39 LYS C C 39 175.634 175.634 175.955 -0.321 18301 2579 1 7 . 1 1 39 39 LYS CA C 39 54.438 54.438 55.050 -0.612 18301 2580 1 7 . 1 1 39 39 LYS CB C 39 35.357 35.357 33.221 2.136 18301 2581 1 7 . 1 1 39 39 LYS H H 39 8.360 8.360 8.294 0.066 18301 2582 1 7 . 1 1 40 40 VAL N N 40 131.410 131.410 121.662 9.748 18301 2583 1 7 . 1 1 40 40 VAL HA H 40 4.787 4.787 3.799 0.988 18301 2584 1 7 . 1 1 40 40 VAL C C 40 173.522 173.522 175.017 -1.495 18301 2585 1 7 . 1 1 40 40 VAL CA C 40 60.968 60.968 63.996 -3.028 18301 2586 1 7 . 1 1 40 40 VAL CB C 40 32.403 32.403 31.964 0.439 18301 2587 1 7 . 1 1 40 40 VAL H H 40 10.183 10.183 7.935 2.248 18301 2588 1 7 . 1 1 41 41 SER N N 41 120.470 120.470 123.111 -2.641 18301 2589 1 7 . 1 1 41 41 SER HA H 41 4.852 4.852 4.685 0.167 18301 2590 1 7 . 1 1 41 41 SER C C 41 175.217 175.217 174.026 1.191 18301 2591 1 7 . 1 1 41 41 SER CA C 41 55.039 55.039 56.220 -1.181 18301 2592 1 7 . 1 1 41 41 SER CB C 41 64.710 64.710 63.787 0.923 18301 2593 1 7 . 1 1 41 41 SER H H 41 8.868 8.868 8.101 0.767 18301 2594 1 7 . 1 1 42 42 LEU N N 42 130.390 130.390 130.078 0.312 18301 2595 1 7 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.260 0.550 18301 2596 1 7 . 1 1 42 42 LEU C C 42 179.982 179.982 178.297 1.685 18301 2597 1 7 . 1 1 42 42 LEU CA C 42 57.875 57.875 57.479 0.396 18301 2598 1 7 . 1 1 42 42 LEU CB C 42 42.030 42.030 42.159 -0.129 18301 2599 1 7 . 1 1 42 42 LEU H H 42 8.998 8.998 9.061 -0.063 18301 2600 1 7 . 1 1 44 44 ASN N N 44 116.079 116.079 117.999 -1.920 18301 2601 1 7 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.872 -0.028 18301 2602 1 7 . 1 1 44 44 ASN C C 44 173.786 173.786 174.125 -0.339 18301 2603 1 7 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.331 -0.041 18301 2604 1 7 . 1 1 44 44 ASN CB C 44 38.180 38.180 38.746 -0.566 18301 2605 1 7 . 1 1 44 44 ASN H H 44 7.812 7.812 7.659 0.153 18301 2606 1 7 . 1 1 45 45 GLN N N 45 117.658 117.658 114.310 3.348 18301 2607 1 7 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.927 -0.326 18301 2608 1 7 . 1 1 45 45 GLN C C 45 175.314 175.314 174.102 1.212 18301 2609 1 7 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.094 -0.164 18301 2610 1 7 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.343 -0.282 18301 2611 1 7 . 1 1 45 45 GLN H H 45 7.679 7.679 7.480 0.199 18301 2612 1 7 . 1 1 46 46 GLU N N 46 116.510 116.510 116.272 0.238 18301 2613 1 7 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.899 0.795 18301 2614 1 7 . 1 1 46 46 GLU C C 46 173.869 173.869 173.923 -0.054 18301 2615 1 7 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.981 0.414 18301 2616 1 7 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.159 1.372 18301 2617 1 7 . 1 1 46 46 GLU H H 46 7.780 7.780 7.872 -0.092 18301 2618 1 7 . 1 1 47 47 ALA N N 47 124.870 124.870 124.093 0.777 18301 2619 1 7 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.781 0.326 18301 2620 1 7 . 1 1 47 47 ALA C C 47 174.758 174.758 175.127 -0.369 18301 2621 1 7 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.647 -0.849 18301 2622 1 7 . 1 1 47 47 ALA CB C 47 22.076 22.076 20.975 1.101 18301 2623 1 7 . 1 1 47 47 ALA H H 47 9.170 9.170 8.880 0.290 18301 2624 1 7 . 1 1 48 48 VAL N N 48 123.890 123.890 125.324 -1.434 18301 2625 1 7 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.543 0.029 18301 2626 1 7 . 1 1 48 48 VAL C C 48 176.217 176.217 174.972 1.245 18301 2627 1 7 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.691 0.953 18301 2628 1 7 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.637 -1.104 18301 2629 1 7 . 1 1 48 48 VAL H H 48 8.930 8.930 8.724 0.206 18301 2630 1 7 . 1 1 49 49 ILE N N 49 129.890 129.890 129.824 0.066 18301 2631 1 7 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.473 0.367 18301 2632 1 7 . 1 1 49 49 ILE C C 49 174.619 174.619 174.927 -0.308 18301 2633 1 7 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.539 -0.129 18301 2634 1 7 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.180 0.737 18301 2635 1 7 . 1 1 49 49 ILE H H 49 9.340 9.340 9.334 0.006 18301 2636 1 7 . 1 1 50 50 THR N N 50 125.910 125.910 124.897 1.013 18301 2637 1 7 . 1 1 50 50 THR HA H 50 5.486 5.486 4.773 0.713 18301 2638 1 7 . 1 1 50 50 THR C C 50 174.286 174.286 173.654 0.632 18301 2639 1 7 . 1 1 50 50 THR CA C 50 61.871 61.871 62.729 -0.858 18301 2640 1 7 . 1 1 50 50 THR CB C 50 68.762 68.762 69.440 -0.678 18301 2641 1 7 . 1 1 50 50 THR H H 50 9.225 9.225 8.539 0.686 18301 2642 1 7 . 1 1 51 51 TYR N N 51 127.720 127.720 125.795 1.925 18301 2643 1 7 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.027 0.638 18301 2644 1 7 . 1 1 51 51 TYR C C 51 171.758 171.758 172.651 -0.893 18301 2645 1 7 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.200 -0.075 18301 2646 1 7 . 1 1 51 51 TYR CB C 51 41.544 41.544 41.316 0.228 18301 2647 1 7 . 1 1 51 51 TYR H H 51 9.846 9.846 9.386 0.460 18301 2648 1 7 . 1 1 52 52 GLN N N 52 120.470 120.470 118.105 2.365 18301 2649 1 7 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.584 0.439 18301 2650 1 7 . 1 1 52 52 GLN C C 52 175.286 175.286 174.205 1.081 18301 2651 1 7 . 1 1 52 52 GLN CA C 52 51.989 51.989 50.887 1.102 18301 2652 1 7 . 1 1 52 52 GLN H H 52 9.072 9.072 8.490 0.582 18301 2653 1 7 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.750 -1.032 18301 2654 1 7 . 1 1 53 53 PRO CB C 53 32.403 32.403 31.996 0.407 18301 2655 1 7 . 1 1 54 54 TYR N N 54 114.650 114.650 116.816 -2.166 18301 2656 1 7 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.471 -0.070 18301 2657 1 7 . 1 1 54 54 TYR C C 54 175.689 175.689 175.052 0.637 18301 2658 1 7 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.394 -0.660 18301 2659 1 7 . 1 1 54 54 TYR CB C 54 37.572 37.572 39.028 -1.456 18301 2660 1 7 . 1 1 54 54 TYR H H 54 8.158 8.158 8.297 -0.139 18301 2661 1 7 . 1 1 55 55 LEU N N 55 117.788 117.788 117.713 0.075 18301 2662 1 7 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.435 -0.023 18301 2663 1 7 . 1 1 55 55 LEU C C 55 175.786 175.786 176.844 -1.058 18301 2664 1 7 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.935 0.104 18301 2665 1 7 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.455 2.414 18301 2666 1 7 . 1 1 55 55 LEU H H 55 7.968 7.968 7.338 0.630 18301 2667 1 7 . 1 1 56 56 ILE N N 56 121.565 121.565 117.479 4.086 18301 2668 1 7 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.397 0.024 18301 2669 1 7 . 1 1 56 56 ILE C C 56 170.396 170.396 174.166 -3.770 18301 2670 1 7 . 1 1 56 56 ILE CA C 56 61.355 61.355 58.922 2.433 18301 2671 1 7 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.854 -1.067 18301 2672 1 7 . 1 1 56 56 ILE H H 56 8.211 8.211 7.820 0.391 18301 2673 1 7 . 1 1 57 57 GLN N N 57 119.400 119.400 124.705 -5.305 18301 2674 1 7 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.862 0.131 18301 2675 1 7 . 1 1 57 57 GLN C C 57 175.911 175.911 174.774 1.137 18301 2676 1 7 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.837 -2.590 18301 2677 1 7 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.390 0.494 18301 2678 1 7 . 1 1 57 57 GLN H H 57 7.953 7.953 8.683 -0.730 18301 2679 1 7 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.502 0.578 18301 2680 1 7 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.955 -0.155 18301 2681 1 7 . 1 1 59 59 GLU N N 59 116.700 116.700 118.313 -1.613 18301 2682 1 7 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.974 -0.397 18301 2683 1 7 . 1 1 59 59 GLU C C 59 177.634 177.634 178.371 -0.737 18301 2684 1 7 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.882 1.473 18301 2685 1 7 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.808 -0.401 18301 2686 1 7 . 1 1 59 59 GLU H H 59 9.588 9.588 8.609 0.979 18301 2687 1 7 . 1 1 60 60 ASP N N 60 116.670 116.670 118.419 -1.749 18301 2688 1 7 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.460 -0.189 18301 2689 1 7 . 1 1 60 60 ASP C C 60 178.898 178.898 178.725 0.173 18301 2690 1 7 . 1 1 60 60 ASP CA C 60 56.887 56.887 56.926 -0.039 18301 2691 1 7 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.600 0.126 18301 2692 1 7 . 1 1 60 60 ASP H H 60 6.994 6.994 8.235 -1.241 18301 2693 1 7 . 1 1 61 61 LEU N N 61 120.023 120.023 118.510 1.513 18301 2694 1 7 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.190 -0.431 18301 2695 1 7 . 1 1 61 61 LEU C C 61 177.009 177.009 178.292 -1.283 18301 2696 1 7 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.374 0.845 18301 2697 1 7 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.186 0.379 18301 2698 1 7 . 1 1 61 61 LEU H H 61 7.220 7.220 7.471 -0.251 18301 2699 1 7 . 1 1 62 62 ARG N N 62 117.758 117.758 119.406 -1.648 18301 2700 1 7 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.829 0.881 18301 2701 1 7 . 1 1 62 62 ARG C C 62 177.676 177.676 178.186 -0.510 18301 2702 1 7 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.824 -0.402 18301 2703 1 7 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.601 -0.630 18301 2704 1 7 . 1 1 62 62 ARG H H 62 8.034 8.034 7.672 0.362 18301 2705 1 7 . 1 1 63 63 ASP N N 63 119.490 119.490 117.668 1.822 18301 2706 1 7 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.429 -0.041 18301 2707 1 7 . 1 1 63 63 ASP C C 63 178.190 178.190 178.146 0.044 18301 2708 1 7 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.020 0.640 18301 2709 1 7 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.816 -1.723 18301 2710 1 7 . 1 1 63 63 ASP H H 63 8.187 8.187 7.746 0.441 18301 2711 1 7 . 1 1 64 64 HIS N N 64 119.289 119.289 119.824 -0.535 18301 2712 1 7 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.297 0.062 18301 2713 1 7 . 1 1 64 64 HIS C C 64 178.607 178.607 177.527 1.080 18301 2714 1 7 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.935 1.389 18301 2715 1 7 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.459 0.941 18301 2716 1 7 . 1 1 64 64 HIS H H 64 8.250 8.250 7.513 0.737 18301 2717 1 7 . 1 1 65 65 VAL N N 65 119.590 119.590 117.969 1.621 18301 2718 1 7 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.374 0.348 18301 2719 1 7 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.206 0.734 18301 2720 1 7 . 1 1 65 65 VAL CB C 65 31.813 31.813 30.544 1.268 18301 2721 1 7 . 1 1 65 65 VAL H H 65 7.638 7.638 7.701 -0.063 18301 2722 1 7 . 1 1 66 66 ASN N N 66 121.680 121.680 118.022 3.658 18301 2723 1 7 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.446 0.704 18301 2724 1 7 . 1 1 66 66 ASN C C 66 180.454 180.454 177.406 3.048 18301 2725 1 7 . 1 1 66 66 ASN CA C 66 55.683 55.683 56.065 -0.382 18301 2726 1 7 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.133 -0.147 18301 2727 1 7 . 1 1 66 66 ASN H H 66 8.461 8.461 7.712 0.749 18301 2728 1 7 . 1 1 67 67 ASP N N 67 120.750 120.750 120.206 0.544 18301 2729 1 7 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.479 -0.039 18301 2730 1 7 . 1 1 67 67 ASP C C 67 177.537 177.537 177.520 0.017 18301 2731 1 7 . 1 1 67 67 ASP CA C 67 56.628 56.628 55.976 0.652 18301 2732 1 7 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.641 -0.157 18301 2733 1 7 . 1 1 67 67 ASP H H 67 8.385 8.385 7.926 0.459 18301 2734 1 7 . 1 1 68 68 MET N N 68 116.510 116.510 115.644 0.866 18301 2735 1 7 . 1 1 68 68 MET HA H 68 4.287 4.287 4.374 -0.087 18301 2736 1 7 . 1 1 68 68 MET C C 68 176.064 176.064 177.292 -1.228 18301 2737 1 7 . 1 1 68 68 MET CA C 68 56.672 56.672 56.608 0.064 18301 2738 1 7 . 1 1 68 68 MET CB C 68 33.933 33.933 33.228 0.705 18301 2739 1 7 . 1 1 68 68 MET H H 68 7.680 7.680 7.372 0.308 18301 2740 1 7 . 1 1 69 69 GLY N N 69 105.290 105.290 106.008 -0.718 18301 2741 1 7 . 1 1 69 69 GLY C C 69 173.640 173.640 173.956 -0.316 18301 2742 1 7 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.082 -0.326 18301 2743 1 7 . 1 1 69 69 GLY H H 69 8.049 8.049 8.066 -0.017 18301 2744 1 7 . 1 1 70 70 PHE N N 70 118.850 118.850 118.294 0.556 18301 2745 1 7 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.657 0.079 18301 2746 1 7 . 1 1 70 70 PHE C C 70 172.772 172.772 175.270 -2.498 18301 2747 1 7 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.982 0.877 18301 2748 1 7 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.817 -0.247 18301 2749 1 7 . 1 1 70 70 PHE H H 70 6.689 6.689 7.494 -0.805 18301 2750 1 7 . 1 1 71 71 GLU N N 71 118.550 118.550 119.978 -1.428 18301 2751 1 7 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.401 0.309 18301 2752 1 7 . 1 1 71 71 GLU C C 71 175.370 175.370 175.608 -0.238 18301 2753 1 7 . 1 1 71 71 GLU CA C 71 55.899 55.899 54.889 1.010 18301 2754 1 7 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.934 0.775 18301 2755 1 7 . 1 1 71 71 GLU H H 71 8.030 8.030 8.973 -0.943 18301 2756 1 7 . 1 1 72 72 ALA N N 72 129.745 129.745 121.801 7.944 18301 2757 1 7 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.439 1.477 18301 2758 1 7 . 1 1 72 72 ALA C C 72 176.245 176.245 176.799 -0.554 18301 2759 1 7 . 1 1 72 72 ALA CA C 72 49.669 49.669 52.846 -3.177 18301 2760 1 7 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.475 3.020 18301 2761 1 7 . 1 1 72 72 ALA H H 72 9.580 9.580 7.785 1.796 18301 2762 1 7 . 1 1 73 73 ALA N N 73 121.581 121.581 125.569 -3.988 18301 2763 1 7 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.793 -0.272 18301 2764 1 7 . 1 1 73 73 ALA C C 73 176.162 176.162 176.136 0.026 18301 2765 1 7 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.355 0.388 18301 2766 1 7 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.673 -0.044 18301 2767 1 7 . 1 1 73 73 ALA H H 73 8.633 8.633 7.880 0.753 18301 2768 1 7 . 1 1 74 74 ILE N N 74 123.360 123.360 121.964 1.396 18301 2769 1 7 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.786 0.208 18301 2770 1 7 . 1 1 74 74 ILE C C 74 176.217 176.217 176.673 -0.456 18301 2771 1 7 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.490 0.841 18301 2772 1 7 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.264 1.047 18301 2773 1 7 . 1 1 74 74 ILE H H 74 8.962 8.962 8.559 0.403 18301 2774 1 7 . 1 1 75 75 LYS N N 75 130.310 130.310 130.056 0.254 18301 2775 1 7 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.076 0.477 18301 2776 1 7 . 1 1 75 75 LYS C C 75 175.217 175.217 176.522 -1.305 18301 2777 1 7 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.145 -1.688 18301 2778 1 7 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.851 0.421 18301 2779 1 7 . 1 1 75 75 LYS H H 75 8.842 8.842 8.787 0.055 18301 2780 1 8 . 1 1 4 4 MET N N 4 121.245 121.245 120.983 0.262 18301 2781 1 8 . 1 1 4 4 MET HA H 4 4.302 4.302 4.475 -0.173 18301 2782 1 8 . 1 1 4 4 MET C C 4 175.828 175.828 176.578 -0.750 18301 2783 1 8 . 1 1 4 4 MET CA C 4 56.414 56.414 55.899 0.515 18301 2784 1 8 . 1 1 4 4 MET CB C 4 32.361 32.361 32.587 -0.226 18301 2785 1 8 . 1 1 4 4 MET H H 4 8.363 8.363 8.108 0.255 18301 2786 1 8 . 1 1 5 5 GLN N N 5 121.670 121.670 121.637 0.033 18301 2787 1 8 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.316 -0.066 18301 2788 1 8 . 1 1 5 5 GLN C C 5 175.245 175.245 175.703 -0.458 18301 2789 1 8 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.151 0.349 18301 2790 1 8 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.399 -0.080 18301 2791 1 8 . 1 1 5 5 GLN H H 5 8.266 8.266 8.598 -0.332 18301 2792 1 8 . 1 1 6 6 GLU N N 6 120.500 120.500 119.042 1.458 18301 2793 1 8 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.150 0.627 18301 2794 1 8 . 1 1 6 6 GLU C C 6 174.619 174.619 175.281 -0.662 18301 2795 1 8 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.902 -1.863 18301 2796 1 8 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.763 2.901 18301 2797 1 8 . 1 1 6 6 GLU H H 6 8.238 8.238 7.832 0.406 18301 2798 1 8 . 1 1 7 7 ALA N N 7 125.790 125.790 127.089 -1.299 18301 2799 1 8 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.747 -0.185 18301 2800 1 8 . 1 1 7 7 ALA C C 7 173.633 173.633 175.079 -1.446 18301 2801 1 8 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.709 -0.439 18301 2802 1 8 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.691 0.722 18301 2803 1 8 . 1 1 7 7 ALA H H 7 8.838 8.838 8.182 0.656 18301 2804 1 8 . 1 1 8 8 VAL N N 8 117.770 117.770 122.320 -4.550 18301 2805 1 8 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.991 0.375 18301 2806 1 8 . 1 1 8 8 VAL C C 8 176.717 176.717 174.615 2.102 18301 2807 1 8 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.599 -0.017 18301 2808 1 8 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.471 0.452 18301 2809 1 8 . 1 1 8 8 VAL H H 8 8.340 8.340 8.407 -0.067 18301 2810 1 8 . 1 1 9 9 VAL N N 9 128.140 128.140 127.020 1.120 18301 2811 1 8 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.587 0.238 18301 2812 1 8 . 1 1 9 9 VAL C C 9 170.910 170.910 173.635 -2.725 18301 2813 1 8 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.645 -0.524 18301 2814 1 8 . 1 1 9 9 VAL CB C 9 34.879 34.879 35.908 -1.029 18301 2815 1 8 . 1 1 9 9 VAL H H 9 9.560 9.560 8.495 1.065 18301 2816 1 8 . 1 1 10 10 LYS N N 10 126.441 126.441 126.676 -0.235 18301 2817 1 8 . 1 1 10 10 LYS HA H 10 5.396 5.396 4.892 0.504 18301 2818 1 8 . 1 1 10 10 LYS C C 10 175.078 175.078 174.934 0.144 18301 2819 1 8 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.886 -0.491 18301 2820 1 8 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.694 0.490 18301 2821 1 8 . 1 1 10 10 LYS H H 10 8.821 8.821 8.304 0.517 18301 2822 1 8 . 1 1 11 11 LEU N N 11 119.930 119.930 124.087 -4.157 18301 2823 1 8 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.983 0.388 18301 2824 1 8 . 1 1 11 11 LEU C C 11 177.801 177.801 176.025 1.776 18301 2825 1 8 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.917 -2.014 18301 2826 1 8 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.702 -1.788 18301 2827 1 8 . 1 1 11 11 LEU H H 11 9.277 9.277 9.155 0.122 18301 2828 1 8 . 1 1 12 12 ARG N N 12 125.200 125.200 122.632 2.568 18301 2829 1 8 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.319 0.585 18301 2830 1 8 . 1 1 12 12 ARG C C 12 175.773 175.773 175.329 0.444 18301 2831 1 8 . 1 1 12 12 ARG CA C 12 55.641 55.641 56.185 -0.544 18301 2832 1 8 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.092 -0.079 18301 2833 1 8 . 1 1 12 12 ARG H H 12 9.300 9.300 8.752 0.548 18301 2834 1 8 . 1 1 13 13 VAL N N 13 126.780 126.780 125.665 1.115 18301 2835 1 8 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.446 0.065 18301 2836 1 8 . 1 1 13 13 VAL C C 13 174.564 174.564 176.164 -1.600 18301 2837 1 8 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.433 -0.648 18301 2838 1 8 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.480 1.226 18301 2839 1 8 . 1 1 13 13 VAL H H 13 8.110 8.110 8.012 0.098 18301 2840 1 8 . 1 1 14 14 GLU N N 14 126.510 126.510 126.988 -0.478 18301 2841 1 8 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.434 0.231 18301 2842 1 8 . 1 1 14 14 GLU C C 14 176.426 176.426 176.938 -0.512 18301 2843 1 8 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.088 -0.705 18301 2844 1 8 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.572 1.049 18301 2845 1 8 . 1 1 14 14 GLU H H 14 9.100 9.100 8.797 0.303 18301 2846 1 8 . 1 1 15 15 GLY N N 15 108.020 108.020 107.936 0.084 18301 2847 1 8 . 1 1 15 15 GLY C C 15 175.884 175.884 174.425 1.459 18301 2848 1 8 . 1 1 15 15 GLY CA C 15 44.900 44.900 44.653 0.247 18301 2849 1 8 . 1 1 15 15 GLY H H 15 8.680 8.680 8.034 0.646 18301 2850 1 8 . 1 1 16 16 MET N N 16 120.590 120.590 119.068 1.522 18301 2851 1 8 . 1 1 16 16 MET HA H 16 4.880 4.880 4.053 0.827 18301 2852 1 8 . 1 1 16 16 MET C C 16 177.342 177.342 175.627 1.715 18301 2853 1 8 . 1 1 16 16 MET CA C 16 56.672 56.672 56.491 0.181 18301 2854 1 8 . 1 1 16 16 MET H H 16 9.033 9.033 7.847 1.186 18301 2855 1 8 . 1 1 17 17 THR N N 17 123.321 123.321 116.318 7.003 18301 2856 1 8 . 1 1 17 17 THR C C 17 176.231 176.231 175.105 1.126 18301 2857 1 8 . 1 1 17 17 THR CA C 17 57.114 57.114 60.625 -3.511 18301 2858 1 8 . 1 1 17 17 THR H H 17 8.591 8.591 8.061 0.530 18301 2859 1 8 . 1 1 18 18 CYS N N 18 120.560 120.560 120.971 -0.411 18301 2860 1 8 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.166 0.894 18301 2861 1 8 . 1 1 18 18 CYS C C 18 174.467 174.467 175.152 -0.685 18301 2862 1 8 . 1 1 18 18 CYS CA C 18 57.500 57.500 60.284 -2.784 18301 2863 1 8 . 1 1 18 18 CYS CB C 18 30.996 30.996 27.705 3.291 18301 2864 1 8 . 1 1 18 18 CYS H H 18 8.809 8.809 8.506 0.303 18301 2865 1 8 . 1 1 20 20 SER N N 20 123.434 123.434 115.235 8.199 18301 2866 1 8 . 1 1 20 20 SER HA H 20 4.461 4.461 4.675 -0.214 18301 2867 1 8 . 1 1 20 20 SER C C 20 177.009 177.009 174.842 2.167 18301 2868 1 8 . 1 1 20 20 SER CA C 20 62.214 62.214 57.308 4.906 18301 2869 1 8 . 1 1 20 20 SER H H 20 8.297 8.297 8.733 -0.436 18301 2870 1 8 . 1 1 21 21 CYS N N 21 125.740 125.740 121.948 3.792 18301 2871 1 8 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.186 -0.126 18301 2872 1 8 . 1 1 21 21 CYS C C 21 177.495 177.495 175.878 1.617 18301 2873 1 8 . 1 1 21 21 CYS CA C 21 63.546 63.546 62.077 1.469 18301 2874 1 8 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.077 1.723 18301 2875 1 8 . 1 1 21 21 CYS H H 21 7.861 7.861 8.153 -0.292 18301 2876 1 8 . 1 1 22 22 VAL N N 22 118.130 118.130 120.579 -2.449 18301 2877 1 8 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.554 -0.344 18301 2878 1 8 . 1 1 22 22 VAL C C 22 177.843 177.843 178.024 -0.181 18301 2879 1 8 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.805 -0.380 18301 2880 1 8 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.278 0.256 18301 2881 1 8 . 1 1 22 22 VAL H H 22 6.860 6.860 7.854 -0.994 18301 2882 1 8 . 1 1 23 23 SER N N 23 112.820 112.820 114.309 -1.489 18301 2883 1 8 . 1 1 23 23 SER HA H 23 4.220 4.220 4.179 0.041 18301 2884 1 8 . 1 1 23 23 SER C C 23 178.162 178.162 176.818 1.344 18301 2885 1 8 . 1 1 23 23 SER CA C 23 61.398 61.398 61.850 -0.452 18301 2886 1 8 . 1 1 23 23 SER CB C 23 62.550 62.550 62.624 -0.074 18301 2887 1 8 . 1 1 23 23 SER H H 23 8.341 8.341 7.807 0.534 18301 2888 1 8 . 1 1 24 24 SER N N 24 119.341 119.341 117.991 1.350 18301 2889 1 8 . 1 1 24 24 SER HA H 24 4.859 4.859 4.327 0.532 18301 2890 1 8 . 1 1 24 24 SER C C 24 176.856 176.856 176.664 0.192 18301 2891 1 8 . 1 1 24 24 SER CA C 24 61.570 61.570 61.174 0.396 18301 2892 1 8 . 1 1 24 24 SER CB C 24 62.506 62.506 63.009 -0.503 18301 2893 1 8 . 1 1 24 24 SER H H 24 8.286 8.286 7.412 0.874 18301 2894 1 8 . 1 1 25 25 ILE N N 25 122.340 122.340 122.265 0.075 18301 2895 1 8 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.683 -0.091 18301 2896 1 8 . 1 1 25 25 ILE C C 25 177.912 177.912 177.566 0.346 18301 2897 1 8 . 1 1 25 25 ILE CA C 25 66.038 66.038 65.381 0.657 18301 2898 1 8 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.784 0.701 18301 2899 1 8 . 1 1 25 25 ILE H H 25 8.057 8.057 8.219 -0.162 18301 2900 1 8 . 1 1 26 26 GLU N N 26 117.081 117.081 120.109 -3.028 18301 2901 1 8 . 1 1 26 26 GLU HA H 26 3.555 3.555 3.983 -0.428 18301 2902 1 8 . 1 1 26 26 GLU C C 26 178.523 178.523 179.388 -0.865 18301 2903 1 8 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.530 1.095 18301 2904 1 8 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.511 0.310 18301 2905 1 8 . 1 1 26 26 GLU H H 26 8.504 8.504 8.216 0.288 18301 2906 1 8 . 1 1 27 27 GLY N N 27 102.731 102.731 106.471 -3.740 18301 2907 1 8 . 1 1 27 27 GLY C C 27 175.925 175.925 176.091 -0.166 18301 2908 1 8 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.750 0.083 18301 2909 1 8 . 1 1 27 27 GLY H H 27 8.231 8.231 7.896 0.335 18301 2910 1 8 . 1 1 28 28 LYS N N 28 119.316 119.316 121.701 -2.385 18301 2911 1 8 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.158 -0.048 18301 2912 1 8 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.954 0.075 18301 2913 1 8 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.152 0.764 18301 2914 1 8 . 1 1 28 28 LYS H H 28 7.640 7.640 7.409 0.231 18301 2915 1 8 . 1 1 29 29 VAL N N 29 118.845 118.845 119.621 -0.776 18301 2916 1 8 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.746 -0.296 18301 2917 1 8 . 1 1 29 29 VAL C C 29 177.259 177.259 178.472 -1.213 18301 2918 1 8 . 1 1 29 29 VAL CA C 29 65.737 65.737 66.436 -0.699 18301 2919 1 8 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.255 0.062 18301 2920 1 8 . 1 1 29 29 VAL H H 29 8.577 8.577 7.726 0.851 18301 2921 1 8 . 1 1 30 30 ARG N N 30 115.480 115.480 118.281 -2.801 18301 2922 1 8 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.039 -0.219 18301 2923 1 8 . 1 1 30 30 ARG C C 30 176.717 176.717 177.357 -0.640 18301 2924 1 8 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.775 -0.127 18301 2925 1 8 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.013 0.088 18301 2926 1 8 . 1 1 30 30 ARG H H 30 8.083 8.083 7.510 0.573 18301 2927 1 8 . 1 1 31 31 LYS N N 31 114.395 114.395 115.464 -1.069 18301 2928 1 8 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.274 -0.083 18301 2929 1 8 . 1 1 31 31 LYS C C 31 176.870 176.870 176.801 0.069 18301 2930 1 8 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.614 0.628 18301 2931 1 8 . 1 1 31 31 LYS CB C 31 32.924 32.924 33.034 -0.110 18301 2932 1 8 . 1 1 31 31 LYS H H 31 6.757 6.757 7.839 -1.082 18301 2933 1 8 . 1 1 32 32 LEU N N 32 121.290 121.290 122.039 -0.749 18301 2934 1 8 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.191 -0.096 18301 2935 1 8 . 1 1 32 32 LEU C C 32 177.398 177.398 177.022 0.376 18301 2936 1 8 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.016 -0.362 18301 2937 1 8 . 1 1 32 32 LEU CB C 32 41.308 41.308 42.012 -0.704 18301 2938 1 8 . 1 1 32 32 LEU H H 32 7.386 7.386 7.608 -0.222 18301 2939 1 8 . 1 1 33 33 GLN N N 33 124.330 124.330 123.849 0.481 18301 2940 1 8 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.191 -0.101 18301 2941 1 8 . 1 1 33 33 GLN C C 33 175.661 175.661 177.616 -1.955 18301 2942 1 8 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.852 -0.958 18301 2943 1 8 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.136 -1.059 18301 2944 1 8 . 1 1 33 33 GLN H H 33 8.650 8.650 8.504 0.146 18301 2945 1 8 . 1 1 34 34 GLY N N 34 109.990 109.990 108.082 1.908 18301 2946 1 8 . 1 1 34 34 GLY C C 34 173.911 173.911 175.098 -1.187 18301 2947 1 8 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.711 -0.167 18301 2948 1 8 . 1 1 34 34 GLY H H 34 8.759 8.759 8.146 0.613 18301 2949 1 8 . 1 1 35 35 VAL N N 35 119.540 119.540 121.107 -1.567 18301 2950 1 8 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.948 -0.098 18301 2951 1 8 . 1 1 35 35 VAL C C 35 175.759 175.759 175.815 -0.056 18301 2952 1 8 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.738 0.065 18301 2953 1 8 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.657 -1.231 18301 2954 1 8 . 1 1 35 35 VAL H H 35 7.600 7.600 7.806 -0.206 18301 2955 1 8 . 1 1 36 36 VAL N N 36 130.030 130.030 125.878 4.152 18301 2956 1 8 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.100 -0.188 18301 2957 1 8 . 1 1 36 36 VAL C C 36 176.023 176.023 175.741 0.282 18301 2958 1 8 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.815 0.385 18301 2959 1 8 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.627 1.054 18301 2960 1 8 . 1 1 36 36 VAL H H 36 9.141 9.141 8.638 0.503 18301 2961 1 8 . 1 1 37 37 ARG N N 37 116.750 116.750 115.783 0.967 18301 2962 1 8 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.616 0.025 18301 2963 1 8 . 1 1 37 37 ARG C C 37 173.230 173.230 173.346 -0.116 18301 2964 1 8 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.410 0.171 18301 2965 1 8 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.981 -1.044 18301 2966 1 8 . 1 1 37 37 ARG H H 37 7.859 7.859 7.677 0.182 18301 2967 1 8 . 1 1 38 38 VAL N N 38 119.900 119.900 121.729 -1.829 18301 2968 1 8 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.672 0.307 18301 2969 1 8 . 1 1 38 38 VAL C C 38 171.841 171.841 173.904 -2.063 18301 2970 1 8 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.637 -1.000 18301 2971 1 8 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.290 -0.931 18301 2972 1 8 . 1 1 38 38 VAL H H 38 8.785 8.785 8.562 0.223 18301 2973 1 8 . 1 1 39 39 LYS N N 39 126.750 126.750 129.875 -3.125 18301 2974 1 8 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.714 0.096 18301 2975 1 8 . 1 1 39 39 LYS C C 39 175.634 175.634 174.503 1.131 18301 2976 1 8 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.885 -0.447 18301 2977 1 8 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.749 0.608 18301 2978 1 8 . 1 1 39 39 LYS H H 39 8.360 8.360 8.758 -0.398 18301 2979 1 8 . 1 1 40 40 VAL N N 40 131.410 131.410 125.567 5.843 18301 2980 1 8 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.269 0.518 18301 2981 1 8 . 1 1 40 40 VAL C C 40 173.522 173.522 175.066 -1.544 18301 2982 1 8 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.556 -0.588 18301 2983 1 8 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.741 -1.338 18301 2984 1 8 . 1 1 40 40 VAL H H 40 10.183 10.183 8.611 1.572 18301 2985 1 8 . 1 1 41 41 SER N N 41 120.470 120.470 121.221 -0.751 18301 2986 1 8 . 1 1 41 41 SER HA H 41 4.852 4.852 4.898 -0.046 18301 2987 1 8 . 1 1 41 41 SER C C 41 175.217 175.217 175.218 -0.001 18301 2988 1 8 . 1 1 41 41 SER CA C 41 55.039 55.039 55.783 -0.744 18301 2989 1 8 . 1 1 41 41 SER CB C 41 64.710 64.710 63.446 1.264 18301 2990 1 8 . 1 1 41 41 SER H H 41 8.868 8.868 8.120 0.748 18301 2991 1 8 . 1 1 42 42 LEU N N 42 130.390 130.390 126.810 3.580 18301 2992 1 8 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.645 0.165 18301 2993 1 8 . 1 1 42 42 LEU C C 42 179.982 179.982 177.713 2.269 18301 2994 1 8 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.735 1.140 18301 2995 1 8 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.928 0.102 18301 2996 1 8 . 1 1 42 42 LEU H H 42 8.998 8.998 8.833 0.165 18301 2997 1 8 . 1 1 44 44 ASN N N 44 116.079 116.079 117.791 -1.712 18301 2998 1 8 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.807 0.037 18301 2999 1 8 . 1 1 44 44 ASN C C 44 173.786 173.786 174.595 -0.809 18301 3000 1 8 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.769 -0.479 18301 3001 1 8 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.158 -0.978 18301 3002 1 8 . 1 1 44 44 ASN H H 44 7.812 7.812 7.492 0.320 18301 3003 1 8 . 1 1 45 45 GLN N N 45 117.658 117.658 115.046 2.612 18301 3004 1 8 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.889 -0.288 18301 3005 1 8 . 1 1 45 45 GLN C C 45 175.314 175.314 173.896 1.418 18301 3006 1 8 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.251 -0.321 18301 3007 1 8 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.471 -0.410 18301 3008 1 8 . 1 1 45 45 GLN H H 45 7.679 7.679 7.750 -0.071 18301 3009 1 8 . 1 1 46 46 GLU N N 46 116.510 116.510 116.215 0.295 18301 3010 1 8 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.752 0.942 18301 3011 1 8 . 1 1 46 46 GLU C C 46 173.869 173.869 173.822 0.047 18301 3012 1 8 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.939 0.456 18301 3013 1 8 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.178 1.353 18301 3014 1 8 . 1 1 46 46 GLU H H 46 7.780 7.780 7.826 -0.046 18301 3015 1 8 . 1 1 47 47 ALA N N 47 124.870 124.870 122.079 2.791 18301 3016 1 8 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.702 0.405 18301 3017 1 8 . 1 1 47 47 ALA C C 47 174.758 174.758 175.225 -0.467 18301 3018 1 8 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.846 -1.048 18301 3019 1 8 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.733 0.343 18301 3020 1 8 . 1 1 47 47 ALA H H 47 9.170 9.170 8.993 0.177 18301 3021 1 8 . 1 1 48 48 VAL N N 48 123.890 123.890 124.255 -0.365 18301 3022 1 8 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.756 -0.184 18301 3023 1 8 . 1 1 48 48 VAL C C 48 176.217 176.217 174.716 1.501 18301 3024 1 8 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.246 1.397 18301 3025 1 8 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.631 -1.098 18301 3026 1 8 . 1 1 48 48 VAL H H 48 8.930 8.930 8.891 0.039 18301 3027 1 8 . 1 1 49 49 ILE N N 49 129.890 129.890 128.611 1.279 18301 3028 1 8 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.452 0.388 18301 3029 1 8 . 1 1 49 49 ILE C C 49 174.619 174.619 174.913 -0.294 18301 3030 1 8 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.410 -0.000 18301 3031 1 8 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.138 0.779 18301 3032 1 8 . 1 1 49 49 ILE H H 49 9.340 9.340 8.930 0.410 18301 3033 1 8 . 1 1 50 50 THR N N 50 125.910 125.910 124.491 1.419 18301 3034 1 8 . 1 1 50 50 THR HA H 50 5.486 5.486 4.675 0.811 18301 3035 1 8 . 1 1 50 50 THR C C 50 174.286 174.286 173.733 0.553 18301 3036 1 8 . 1 1 50 50 THR CA C 50 61.871 61.871 61.945 -0.074 18301 3037 1 8 . 1 1 50 50 THR CB C 50 68.762 68.762 68.856 -0.094 18301 3038 1 8 . 1 1 50 50 THR H H 50 9.225 9.225 8.979 0.246 18301 3039 1 8 . 1 1 51 51 TYR N N 51 127.720 127.720 125.234 2.486 18301 3040 1 8 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.976 0.689 18301 3041 1 8 . 1 1 51 51 TYR C C 51 171.758 171.758 172.668 -0.910 18301 3042 1 8 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.414 -0.290 18301 3043 1 8 . 1 1 51 51 TYR CB C 51 41.544 41.544 41.205 0.339 18301 3044 1 8 . 1 1 51 51 TYR H H 51 9.846 9.846 8.699 1.147 18301 3045 1 8 . 1 1 52 52 GLN N N 52 120.470 120.470 118.727 1.743 18301 3046 1 8 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.633 0.390 18301 3047 1 8 . 1 1 52 52 GLN C C 52 175.286 175.286 174.418 0.868 18301 3048 1 8 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.232 0.757 18301 3049 1 8 . 1 1 52 52 GLN H H 52 9.072 9.072 8.523 0.549 18301 3050 1 8 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.714 -0.996 18301 3051 1 8 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.203 0.200 18301 3052 1 8 . 1 1 54 54 TYR N N 54 114.650 114.650 117.071 -2.421 18301 3053 1 8 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.329 0.072 18301 3054 1 8 . 1 1 54 54 TYR C C 54 175.689 175.689 175.520 0.169 18301 3055 1 8 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.433 -0.699 18301 3056 1 8 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.536 -0.964 18301 3057 1 8 . 1 1 54 54 TYR H H 54 8.158 8.158 8.275 -0.117 18301 3058 1 8 . 1 1 55 55 LEU N N 55 117.788 117.788 117.305 0.483 18301 3059 1 8 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.381 0.031 18301 3060 1 8 . 1 1 55 55 LEU C C 55 175.786 175.786 176.802 -1.016 18301 3061 1 8 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.883 0.156 18301 3062 1 8 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.371 2.498 18301 3063 1 8 . 1 1 55 55 LEU H H 55 7.968 7.968 7.171 0.797 18301 3064 1 8 . 1 1 56 56 ILE N N 56 121.565 121.565 118.509 3.056 18301 3065 1 8 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.372 0.049 18301 3066 1 8 . 1 1 56 56 ILE C C 56 170.396 170.396 174.288 -3.892 18301 3067 1 8 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.303 2.052 18301 3068 1 8 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.523 -0.736 18301 3069 1 8 . 1 1 56 56 ILE H H 56 8.211 8.211 8.103 0.108 18301 3070 1 8 . 1 1 57 57 GLN N N 57 119.400 119.400 124.562 -5.162 18301 3071 1 8 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.842 0.151 18301 3072 1 8 . 1 1 57 57 GLN C C 57 175.911 175.911 174.847 1.064 18301 3073 1 8 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.291 -2.044 18301 3074 1 8 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.245 0.639 18301 3075 1 8 . 1 1 57 57 GLN H H 57 7.953 7.953 8.644 -0.691 18301 3076 1 8 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.566 0.514 18301 3077 1 8 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.899 -0.099 18301 3078 1 8 . 1 1 59 59 GLU N N 59 116.700 116.700 118.395 -1.695 18301 3079 1 8 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.982 -0.405 18301 3080 1 8 . 1 1 59 59 GLU C C 59 177.634 177.634 178.375 -0.741 18301 3081 1 8 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.839 1.516 18301 3082 1 8 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.707 -0.300 18301 3083 1 8 . 1 1 59 59 GLU H H 59 9.588 9.588 8.601 0.987 18301 3084 1 8 . 1 1 60 60 ASP N N 60 116.670 116.670 118.387 -1.717 18301 3085 1 8 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.457 -0.186 18301 3086 1 8 . 1 1 60 60 ASP C C 60 178.898 178.898 178.852 0.046 18301 3087 1 8 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.002 -0.115 18301 3088 1 8 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.651 0.075 18301 3089 1 8 . 1 1 60 60 ASP H H 60 6.994 6.994 8.232 -1.238 18301 3090 1 8 . 1 1 61 61 LEU N N 61 120.023 120.023 119.123 0.900 18301 3091 1 8 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.198 -0.439 18301 3092 1 8 . 1 1 61 61 LEU C C 61 177.009 177.009 178.206 -1.197 18301 3093 1 8 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.348 0.871 18301 3094 1 8 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.175 0.390 18301 3095 1 8 . 1 1 61 61 LEU H H 61 7.220 7.220 7.463 -0.243 18301 3096 1 8 . 1 1 62 62 ARG N N 62 117.758 117.758 119.615 -1.857 18301 3097 1 8 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.826 0.884 18301 3098 1 8 . 1 1 62 62 ARG C C 62 177.676 177.676 178.092 -0.416 18301 3099 1 8 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.472 -0.050 18301 3100 1 8 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.605 -0.634 18301 3101 1 8 . 1 1 62 62 ARG H H 62 8.034 8.034 7.628 0.406 18301 3102 1 8 . 1 1 63 63 ASP N N 63 119.490 119.490 117.769 1.721 18301 3103 1 8 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.410 -0.022 18301 3104 1 8 . 1 1 63 63 ASP C C 63 178.190 178.190 177.960 0.230 18301 3105 1 8 . 1 1 63 63 ASP CA C 63 57.660 57.660 56.983 0.677 18301 3106 1 8 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.801 -1.708 18301 3107 1 8 . 1 1 63 63 ASP H H 63 8.187 8.187 7.725 0.462 18301 3108 1 8 . 1 1 64 64 HIS N N 64 119.289 119.289 119.163 0.126 18301 3109 1 8 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.211 0.148 18301 3110 1 8 . 1 1 64 64 HIS C C 64 178.607 178.607 177.221 1.386 18301 3111 1 8 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.665 1.659 18301 3112 1 8 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.985 0.415 18301 3113 1 8 . 1 1 64 64 HIS H H 64 8.250 8.250 7.481 0.769 18301 3114 1 8 . 1 1 65 65 VAL N N 65 119.590 119.590 117.887 1.703 18301 3115 1 8 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.515 0.207 18301 3116 1 8 . 1 1 65 65 VAL CA C 65 66.940 66.940 65.632 1.308 18301 3117 1 8 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.012 0.801 18301 3118 1 8 . 1 1 65 65 VAL H H 65 7.638 7.638 7.771 -0.133 18301 3119 1 8 . 1 1 66 66 ASN N N 66 121.680 121.680 117.050 4.630 18301 3120 1 8 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.405 0.745 18301 3121 1 8 . 1 1 66 66 ASN C C 66 180.454 180.454 177.080 3.374 18301 3122 1 8 . 1 1 66 66 ASN CA C 66 55.683 55.683 56.135 -0.452 18301 3123 1 8 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.014 -0.028 18301 3124 1 8 . 1 1 66 66 ASN H H 66 8.461 8.461 7.702 0.759 18301 3125 1 8 . 1 1 67 67 ASP N N 67 120.750 120.750 120.947 -0.197 18301 3126 1 8 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.437 0.003 18301 3127 1 8 . 1 1 67 67 ASP C C 67 177.537 177.537 177.336 0.201 18301 3128 1 8 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.189 0.439 18301 3129 1 8 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.609 -0.126 18301 3130 1 8 . 1 1 67 67 ASP H H 67 8.385 8.385 7.675 0.710 18301 3131 1 8 . 1 1 68 68 MET N N 68 116.510 116.510 116.048 0.462 18301 3132 1 8 . 1 1 68 68 MET HA H 68 4.287 4.287 4.271 0.016 18301 3133 1 8 . 1 1 68 68 MET C C 68 176.064 176.064 176.888 -0.824 18301 3134 1 8 . 1 1 68 68 MET CA C 68 56.672 56.672 56.955 -0.282 18301 3135 1 8 . 1 1 68 68 MET CB C 68 33.933 33.933 33.445 0.488 18301 3136 1 8 . 1 1 68 68 MET H H 68 7.680 7.680 7.538 0.142 18301 3137 1 8 . 1 1 69 69 GLY N N 69 105.290 105.290 106.559 -1.269 18301 3138 1 8 . 1 1 69 69 GLY C C 69 173.640 173.640 174.116 -0.476 18301 3139 1 8 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.084 -0.328 18301 3140 1 8 . 1 1 69 69 GLY H H 69 8.049 8.049 7.953 0.096 18301 3141 1 8 . 1 1 70 70 PHE N N 70 118.850 118.850 119.007 -0.157 18301 3142 1 8 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.742 -0.006 18301 3143 1 8 . 1 1 70 70 PHE C C 70 172.772 172.772 174.216 -1.444 18301 3144 1 8 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.520 1.339 18301 3145 1 8 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.742 -0.172 18301 3146 1 8 . 1 1 70 70 PHE H H 70 6.689 6.689 7.532 -0.843 18301 3147 1 8 . 1 1 71 71 GLU N N 71 118.550 118.550 120.163 -1.613 18301 3148 1 8 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.557 0.153 18301 3149 1 8 . 1 1 71 71 GLU C C 71 175.370 175.370 175.379 -0.009 18301 3150 1 8 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.212 0.687 18301 3151 1 8 . 1 1 71 71 GLU CB C 71 30.709 30.709 30.329 0.380 18301 3152 1 8 . 1 1 71 71 GLU H H 71 8.030 8.030 8.855 -0.825 18301 3153 1 8 . 1 1 72 72 ALA N N 72 129.745 129.745 127.111 2.634 18301 3154 1 8 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.455 0.461 18301 3155 1 8 . 1 1 72 72 ALA C C 72 176.245 176.245 175.978 0.267 18301 3156 1 8 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.401 -0.732 18301 3157 1 8 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.704 0.791 18301 3158 1 8 . 1 1 72 72 ALA H H 72 9.580 9.580 8.600 0.980 18301 3159 1 8 . 1 1 73 73 ALA N N 73 121.581 121.581 125.347 -3.766 18301 3160 1 8 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.838 -0.317 18301 3161 1 8 . 1 1 73 73 ALA C C 73 176.162 176.162 176.075 0.087 18301 3162 1 8 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.175 0.568 18301 3163 1 8 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.985 0.643 18301 3164 1 8 . 1 1 73 73 ALA H H 73 8.633 8.633 8.585 0.048 18301 3165 1 8 . 1 1 74 74 ILE N N 74 123.360 123.360 122.828 0.532 18301 3166 1 8 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.838 0.156 18301 3167 1 8 . 1 1 74 74 ILE C C 74 176.217 176.217 177.210 -0.993 18301 3168 1 8 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.280 1.051 18301 3169 1 8 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.496 0.815 18301 3170 1 8 . 1 1 74 74 ILE H H 74 8.962 8.962 8.618 0.344 18301 3171 1 8 . 1 1 75 75 LYS N N 75 130.310 130.310 127.601 2.709 18301 3172 1 8 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.052 0.501 18301 3173 1 8 . 1 1 75 75 LYS C C 75 175.217 175.217 176.532 -1.315 18301 3174 1 8 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.480 -2.023 18301 3175 1 8 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.593 0.679 18301 3176 1 8 . 1 1 75 75 LYS H H 75 8.842 8.842 8.341 0.501 18301 3177 1 9 . 1 1 4 4 MET N N 4 121.245 121.245 117.689 3.556 18301 3178 1 9 . 1 1 4 4 MET HA H 4 4.302 4.302 5.157 -0.855 18301 3179 1 9 . 1 1 4 4 MET C C 4 175.828 175.828 175.558 0.270 18301 3180 1 9 . 1 1 4 4 MET CA C 4 56.414 56.414 55.370 1.044 18301 3181 1 9 . 1 1 4 4 MET CB C 4 32.361 32.361 33.221 -0.861 18301 3182 1 9 . 1 1 4 4 MET H H 4 8.363 8.363 7.983 0.380 18301 3183 1 9 . 1 1 5 5 GLN N N 5 121.670 121.670 120.250 1.420 18301 3184 1 9 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.394 -0.144 18301 3185 1 9 . 1 1 5 5 GLN C C 5 175.245 175.245 175.631 -0.386 18301 3186 1 9 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.555 -0.055 18301 3187 1 9 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.272 0.047 18301 3188 1 9 . 1 1 5 5 GLN H H 5 8.266 8.266 8.120 0.146 18301 3189 1 9 . 1 1 6 6 GLU N N 6 120.500 120.500 119.407 1.093 18301 3190 1 9 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.146 0.631 18301 3191 1 9 . 1 1 6 6 GLU C C 6 174.619 174.619 175.262 -0.643 18301 3192 1 9 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.402 -1.363 18301 3193 1 9 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.875 2.789 18301 3194 1 9 . 1 1 6 6 GLU H H 6 8.238 8.238 7.880 0.358 18301 3195 1 9 . 1 1 7 7 ALA N N 7 125.790 125.790 127.130 -1.340 18301 3196 1 9 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.777 -0.215 18301 3197 1 9 . 1 1 7 7 ALA C C 7 173.633 173.633 175.303 -1.670 18301 3198 1 9 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.920 -0.650 18301 3199 1 9 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.230 1.182 18301 3200 1 9 . 1 1 7 7 ALA H H 7 8.838 8.838 8.451 0.387 18301 3201 1 9 . 1 1 8 8 VAL N N 8 117.770 117.770 121.578 -3.808 18301 3202 1 9 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.170 0.196 18301 3203 1 9 . 1 1 8 8 VAL C C 8 176.717 176.717 175.167 1.550 18301 3204 1 9 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.370 0.213 18301 3205 1 9 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.707 0.216 18301 3206 1 9 . 1 1 8 8 VAL H H 8 8.340 8.340 8.509 -0.169 18301 3207 1 9 . 1 1 9 9 VAL N N 9 128.140 128.140 125.942 2.198 18301 3208 1 9 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.478 0.347 18301 3209 1 9 . 1 1 9 9 VAL C C 9 170.910 170.910 174.387 -3.477 18301 3210 1 9 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.087 -0.966 18301 3211 1 9 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.186 0.693 18301 3212 1 9 . 1 1 9 9 VAL H H 9 9.560 9.560 9.311 0.249 18301 3213 1 9 . 1 1 10 10 LYS N N 10 126.441 126.441 126.679 -0.238 18301 3214 1 9 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.304 0.092 18301 3215 1 9 . 1 1 10 10 LYS C C 10 175.078 175.078 175.221 -0.143 18301 3216 1 9 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.542 -0.147 18301 3217 1 9 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.582 0.602 18301 3218 1 9 . 1 1 10 10 LYS H H 10 8.821 8.821 8.510 0.311 18301 3219 1 9 . 1 1 11 11 LEU N N 11 119.930 119.930 123.665 -3.735 18301 3220 1 9 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.835 0.536 18301 3221 1 9 . 1 1 11 11 LEU C C 11 177.801 177.801 175.240 2.561 18301 3222 1 9 . 1 1 11 11 LEU CA C 11 51.903 51.903 54.070 -2.167 18301 3223 1 9 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.481 -2.567 18301 3224 1 9 . 1 1 11 11 LEU H H 11 9.277 9.277 9.122 0.155 18301 3225 1 9 . 1 1 12 12 ARG N N 12 125.200 125.200 120.946 4.254 18301 3226 1 9 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.572 0.332 18301 3227 1 9 . 1 1 12 12 ARG C C 12 175.773 175.773 175.500 0.273 18301 3228 1 9 . 1 1 12 12 ARG CA C 12 55.641 55.641 54.817 0.824 18301 3229 1 9 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.140 -0.127 18301 3230 1 9 . 1 1 12 12 ARG H H 12 9.300 9.300 8.823 0.477 18301 3231 1 9 . 1 1 13 13 VAL N N 13 126.780 126.780 126.832 -0.052 18301 3232 1 9 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.365 0.146 18301 3233 1 9 . 1 1 13 13 VAL C C 13 174.564 174.564 176.101 -1.537 18301 3234 1 9 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.555 -0.770 18301 3235 1 9 . 1 1 13 13 VAL CB C 13 33.706 33.706 31.622 2.084 18301 3236 1 9 . 1 1 13 13 VAL H H 13 8.110 8.110 8.451 -0.341 18301 3237 1 9 . 1 1 14 14 GLU N N 14 126.510 126.510 126.814 -0.304 18301 3238 1 9 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.427 0.238 18301 3239 1 9 . 1 1 14 14 GLU C C 14 176.426 176.426 176.872 -0.446 18301 3240 1 9 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.798 -1.415 18301 3241 1 9 . 1 1 14 14 GLU CB C 14 31.621 31.621 31.116 0.505 18301 3242 1 9 . 1 1 14 14 GLU H H 14 9.100 9.100 8.320 0.780 18301 3243 1 9 . 1 1 15 15 GLY N N 15 108.020 108.020 109.088 -1.068 18301 3244 1 9 . 1 1 15 15 GLY C C 15 175.884 175.884 174.185 1.699 18301 3245 1 9 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.238 -0.338 18301 3246 1 9 . 1 1 15 15 GLY H H 15 8.680 8.680 8.112 0.568 18301 3247 1 9 . 1 1 16 16 MET N N 16 120.590 120.590 119.952 0.638 18301 3248 1 9 . 1 1 16 16 MET HA H 16 4.880 4.880 4.093 0.787 18301 3249 1 9 . 1 1 16 16 MET C C 16 177.342 177.342 175.741 1.601 18301 3250 1 9 . 1 1 16 16 MET CA C 16 56.672 56.672 56.145 0.527 18301 3251 1 9 . 1 1 16 16 MET H H 16 9.033 9.033 7.591 1.442 18301 3252 1 9 . 1 1 17 17 THR N N 17 123.321 123.321 115.683 7.638 18301 3253 1 9 . 1 1 17 17 THR C C 17 176.231 176.231 174.760 1.471 18301 3254 1 9 . 1 1 17 17 THR CA C 17 57.114 57.114 62.012 -4.898 18301 3255 1 9 . 1 1 17 17 THR H H 17 8.591 8.591 8.467 0.124 18301 3256 1 9 . 1 1 18 18 CYS N N 18 120.560 120.560 119.018 1.542 18301 3257 1 9 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.691 0.369 18301 3258 1 9 . 1 1 18 18 CYS C C 18 174.467 174.467 174.684 -0.217 18301 3259 1 9 . 1 1 18 18 CYS CA C 18 57.500 57.500 58.693 -1.192 18301 3260 1 9 . 1 1 18 18 CYS CB C 18 30.996 30.996 29.941 1.055 18301 3261 1 9 . 1 1 18 18 CYS H H 18 8.809 8.809 8.262 0.547 18301 3262 1 9 . 1 1 20 20 SER N N 20 123.434 123.434 118.389 5.045 18301 3263 1 9 . 1 1 20 20 SER HA H 20 4.461 4.461 4.461 -0.000 18301 3264 1 9 . 1 1 20 20 SER C C 20 177.009 177.009 175.120 1.889 18301 3265 1 9 . 1 1 20 20 SER CA C 20 62.214 62.214 57.740 4.473 18301 3266 1 9 . 1 1 20 20 SER H H 20 8.297 8.297 8.914 -0.617 18301 3267 1 9 . 1 1 21 21 CYS N N 21 125.740 125.740 121.720 4.020 18301 3268 1 9 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.211 -0.151 18301 3269 1 9 . 1 1 21 21 CYS C C 21 177.495 177.495 175.966 1.529 18301 3270 1 9 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.938 1.608 18301 3271 1 9 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.200 1.600 18301 3272 1 9 . 1 1 21 21 CYS H H 21 7.861 7.861 7.817 0.044 18301 3273 1 9 . 1 1 22 22 VAL N N 22 118.130 118.130 120.273 -2.143 18301 3274 1 9 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.503 -0.293 18301 3275 1 9 . 1 1 22 22 VAL C C 22 177.843 177.843 177.884 -0.041 18301 3276 1 9 . 1 1 22 22 VAL CA C 22 66.425 66.425 65.781 0.644 18301 3277 1 9 . 1 1 22 22 VAL CB C 22 31.534 31.534 30.920 0.614 18301 3278 1 9 . 1 1 22 22 VAL H H 22 6.860 6.860 8.157 -1.297 18301 3279 1 9 . 1 1 23 23 SER N N 23 112.820 112.820 114.170 -1.350 18301 3280 1 9 . 1 1 23 23 SER HA H 23 4.220 4.220 4.113 0.107 18301 3281 1 9 . 1 1 23 23 SER C C 23 178.162 178.162 176.927 1.235 18301 3282 1 9 . 1 1 23 23 SER CA C 23 61.398 61.398 62.012 -0.614 18301 3283 1 9 . 1 1 23 23 SER CB C 23 62.550 62.550 62.587 -0.037 18301 3284 1 9 . 1 1 23 23 SER H H 23 8.341 8.341 7.727 0.614 18301 3285 1 9 . 1 1 24 24 SER N N 24 119.341 119.341 116.825 2.516 18301 3286 1 9 . 1 1 24 24 SER HA H 24 4.859 4.859 4.320 0.539 18301 3287 1 9 . 1 1 24 24 SER C C 24 176.856 176.856 177.123 -0.267 18301 3288 1 9 . 1 1 24 24 SER CA C 24 61.570 61.570 60.931 0.639 18301 3289 1 9 . 1 1 24 24 SER CB C 24 62.506 62.506 63.017 -0.511 18301 3290 1 9 . 1 1 24 24 SER H H 24 8.286 8.286 7.721 0.565 18301 3291 1 9 . 1 1 25 25 ILE N N 25 122.340 122.340 121.657 0.683 18301 3292 1 9 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.815 -0.223 18301 3293 1 9 . 1 1 25 25 ILE C C 25 177.912 177.912 177.418 0.494 18301 3294 1 9 . 1 1 25 25 ILE CA C 25 66.038 66.038 63.902 2.136 18301 3295 1 9 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.615 0.870 18301 3296 1 9 . 1 1 25 25 ILE H H 25 8.057 8.057 7.342 0.715 18301 3297 1 9 . 1 1 26 26 GLU N N 26 117.081 117.081 119.744 -2.663 18301 3298 1 9 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.060 -0.505 18301 3299 1 9 . 1 1 26 26 GLU C C 26 178.523 178.523 179.131 -0.608 18301 3300 1 9 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.159 1.466 18301 3301 1 9 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.423 0.398 18301 3302 1 9 . 1 1 26 26 GLU H H 26 8.504 8.504 7.815 0.689 18301 3303 1 9 . 1 1 27 27 GLY N N 27 102.731 102.731 106.114 -3.383 18301 3304 1 9 . 1 1 27 27 GLY C C 27 175.925 175.925 176.065 -0.140 18301 3305 1 9 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.481 0.352 18301 3306 1 9 . 1 1 27 27 GLY H H 27 8.231 8.231 7.862 0.369 18301 3307 1 9 . 1 1 28 28 LYS N N 28 119.316 119.316 120.937 -1.621 18301 3308 1 9 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.144 -0.034 18301 3309 1 9 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.203 0.826 18301 3310 1 9 . 1 1 28 28 LYS CB C 28 32.916 32.916 31.853 1.063 18301 3311 1 9 . 1 1 28 28 LYS H H 28 7.640 7.640 7.523 0.117 18301 3312 1 9 . 1 1 29 29 VAL N N 29 118.845 118.845 118.927 -0.082 18301 3313 1 9 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.769 -0.319 18301 3314 1 9 . 1 1 29 29 VAL C C 29 177.259 177.259 179.053 -1.794 18301 3315 1 9 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.346 0.391 18301 3316 1 9 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.153 0.164 18301 3317 1 9 . 1 1 29 29 VAL H H 29 8.577 8.577 7.705 0.872 18301 3318 1 9 . 1 1 30 30 ARG N N 30 115.480 115.480 118.054 -2.574 18301 3319 1 9 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.060 -0.240 18301 3320 1 9 . 1 1 30 30 ARG C C 30 176.717 176.717 177.507 -0.790 18301 3321 1 9 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.352 0.296 18301 3322 1 9 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.821 0.280 18301 3323 1 9 . 1 1 30 30 ARG H H 30 8.083 8.083 7.699 0.384 18301 3324 1 9 . 1 1 31 31 LYS N N 31 114.395 114.395 115.767 -1.372 18301 3325 1 9 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.297 -0.106 18301 3326 1 9 . 1 1 31 31 LYS C C 31 176.870 176.870 176.734 0.136 18301 3327 1 9 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.240 1.002 18301 3328 1 9 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.886 0.038 18301 3329 1 9 . 1 1 31 31 LYS H H 31 6.757 6.757 7.780 -1.023 18301 3330 1 9 . 1 1 32 32 LEU N N 32 121.290 121.290 122.409 -1.119 18301 3331 1 9 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.169 -0.074 18301 3332 1 9 . 1 1 32 32 LEU C C 32 177.398 177.398 177.092 0.306 18301 3333 1 9 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.049 -0.396 18301 3334 1 9 . 1 1 32 32 LEU CB C 32 41.308 41.308 42.172 -0.864 18301 3335 1 9 . 1 1 32 32 LEU H H 32 7.386 7.386 7.589 -0.203 18301 3336 1 9 . 1 1 33 33 GLN N N 33 124.330 124.330 123.642 0.688 18301 3337 1 9 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.269 -0.179 18301 3338 1 9 . 1 1 33 33 GLN C C 33 175.661 175.661 176.845 -1.184 18301 3339 1 9 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.525 -0.630 18301 3340 1 9 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.991 -0.914 18301 3341 1 9 . 1 1 33 33 GLN H H 33 8.650 8.650 8.572 0.078 18301 3342 1 9 . 1 1 34 34 GLY N N 34 109.990 109.990 107.658 2.332 18301 3343 1 9 . 1 1 34 34 GLY C C 34 173.911 173.911 174.911 -1.000 18301 3344 1 9 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.858 0.686 18301 3345 1 9 . 1 1 34 34 GLY H H 34 8.759 8.759 7.785 0.974 18301 3346 1 9 . 1 1 35 35 VAL N N 35 119.540 119.540 121.461 -1.921 18301 3347 1 9 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.943 -0.093 18301 3348 1 9 . 1 1 35 35 VAL C C 35 175.759 175.759 176.095 -0.336 18301 3349 1 9 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.852 -0.049 18301 3350 1 9 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.853 -1.427 18301 3351 1 9 . 1 1 35 35 VAL H H 35 7.600 7.600 7.962 -0.362 18301 3352 1 9 . 1 1 36 36 VAL N N 36 130.030 130.030 126.175 3.855 18301 3353 1 9 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.139 -0.227 18301 3354 1 9 . 1 1 36 36 VAL C C 36 176.023 176.023 175.183 0.840 18301 3355 1 9 . 1 1 36 36 VAL CA C 36 64.200 64.200 64.507 -0.307 18301 3356 1 9 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.945 0.735 18301 3357 1 9 . 1 1 36 36 VAL H H 36 9.141 9.141 9.144 -0.003 18301 3358 1 9 . 1 1 37 37 ARG N N 37 116.750 116.750 113.759 2.991 18301 3359 1 9 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.535 0.106 18301 3360 1 9 . 1 1 37 37 ARG C C 37 173.230 173.230 173.321 -0.091 18301 3361 1 9 . 1 1 37 37 ARG CA C 37 55.581 55.581 54.532 1.049 18301 3362 1 9 . 1 1 37 37 ARG CB C 37 33.937 33.937 32.431 1.506 18301 3363 1 9 . 1 1 37 37 ARG H H 37 7.859 7.859 7.563 0.296 18301 3364 1 9 . 1 1 38 38 VAL N N 38 119.900 119.900 120.637 -0.737 18301 3365 1 9 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.610 0.369 18301 3366 1 9 . 1 1 38 38 VAL C C 38 171.841 171.841 174.722 -2.881 18301 3367 1 9 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.209 -0.571 18301 3368 1 9 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.166 -0.807 18301 3369 1 9 . 1 1 38 38 VAL H H 38 8.785 8.785 8.409 0.376 18301 3370 1 9 . 1 1 39 39 LYS N N 39 126.750 126.750 128.547 -1.797 18301 3371 1 9 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.516 0.294 18301 3372 1 9 . 1 1 39 39 LYS C C 39 175.634 175.634 176.442 -0.808 18301 3373 1 9 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.745 -0.307 18301 3374 1 9 . 1 1 39 39 LYS CB C 39 35.357 35.357 33.056 2.301 18301 3375 1 9 . 1 1 39 39 LYS H H 39 8.360 8.360 8.461 -0.101 18301 3376 1 9 . 1 1 40 40 VAL N N 40 131.410 131.410 121.302 10.108 18301 3377 1 9 . 1 1 40 40 VAL HA H 40 4.787 4.787 3.835 0.952 18301 3378 1 9 . 1 1 40 40 VAL C C 40 173.522 173.522 174.971 -1.449 18301 3379 1 9 . 1 1 40 40 VAL CA C 40 60.968 60.968 63.976 -3.008 18301 3380 1 9 . 1 1 40 40 VAL CB C 40 32.403 32.403 32.100 0.303 18301 3381 1 9 . 1 1 40 40 VAL H H 40 10.183 10.183 7.964 2.219 18301 3382 1 9 . 1 1 41 41 SER N N 41 120.470 120.470 123.106 -2.636 18301 3383 1 9 . 1 1 41 41 SER HA H 41 4.852 4.852 4.731 0.121 18301 3384 1 9 . 1 1 41 41 SER C C 41 175.217 175.217 174.809 0.408 18301 3385 1 9 . 1 1 41 41 SER CA C 41 55.039 55.039 55.913 -0.875 18301 3386 1 9 . 1 1 41 41 SER CB C 41 64.710 64.710 63.694 1.016 18301 3387 1 9 . 1 1 41 41 SER H H 41 8.868 8.868 8.032 0.836 18301 3388 1 9 . 1 1 42 42 LEU N N 42 130.390 130.390 128.287 2.103 18301 3389 1 9 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.372 0.438 18301 3390 1 9 . 1 1 42 42 LEU C C 42 179.982 179.982 177.068 2.914 18301 3391 1 9 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.888 0.987 18301 3392 1 9 . 1 1 42 42 LEU CB C 42 42.030 42.030 40.825 1.206 18301 3393 1 9 . 1 1 42 42 LEU H H 42 8.998 8.998 8.836 0.162 18301 3394 1 9 . 1 1 44 44 ASN N N 44 116.079 116.079 118.218 -2.139 18301 3395 1 9 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.807 0.037 18301 3396 1 9 . 1 1 44 44 ASN C C 44 173.786 173.786 173.816 -0.030 18301 3397 1 9 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.856 -0.566 18301 3398 1 9 . 1 1 44 44 ASN CB C 44 38.180 38.180 38.973 -0.793 18301 3399 1 9 . 1 1 44 44 ASN H H 44 7.812 7.812 7.472 0.340 18301 3400 1 9 . 1 1 45 45 GLN N N 45 117.658 117.658 115.206 2.452 18301 3401 1 9 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.941 -0.340 18301 3402 1 9 . 1 1 45 45 GLN C C 45 175.314 175.314 174.222 1.092 18301 3403 1 9 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.166 -0.236 18301 3404 1 9 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.530 -0.469 18301 3405 1 9 . 1 1 45 45 GLN H H 45 7.679 7.679 7.586 0.093 18301 3406 1 9 . 1 1 46 46 GLU N N 46 116.510 116.510 116.418 0.092 18301 3407 1 9 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.850 0.844 18301 3408 1 9 . 1 1 46 46 GLU C C 46 173.869 173.869 173.944 -0.075 18301 3409 1 9 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.982 0.413 18301 3410 1 9 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.084 1.447 18301 3411 1 9 . 1 1 46 46 GLU H H 46 7.780 7.780 7.780 -0.000 18301 3412 1 9 . 1 1 47 47 ALA N N 47 124.870 124.870 123.868 1.002 18301 3413 1 9 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.751 0.356 18301 3414 1 9 . 1 1 47 47 ALA C C 47 174.758 174.758 175.038 -0.280 18301 3415 1 9 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.642 -0.845 18301 3416 1 9 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.396 0.680 18301 3417 1 9 . 1 1 47 47 ALA H H 47 9.170 9.170 8.930 0.240 18301 3418 1 9 . 1 1 48 48 VAL N N 48 123.890 123.890 124.679 -0.789 18301 3419 1 9 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.599 -0.027 18301 3420 1 9 . 1 1 48 48 VAL C C 48 176.217 176.217 174.878 1.339 18301 3421 1 9 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.564 1.080 18301 3422 1 9 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.476 -0.943 18301 3423 1 9 . 1 1 48 48 VAL H H 48 8.930 8.930 8.773 0.157 18301 3424 1 9 . 1 1 49 49 ILE N N 49 129.890 129.890 129.405 0.485 18301 3425 1 9 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.472 0.368 18301 3426 1 9 . 1 1 49 49 ILE C C 49 174.619 174.619 174.856 -0.237 18301 3427 1 9 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.721 -0.311 18301 3428 1 9 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.051 0.866 18301 3429 1 9 . 1 1 49 49 ILE H H 49 9.340 9.340 9.359 -0.019 18301 3430 1 9 . 1 1 50 50 THR N N 50 125.910 125.910 124.982 0.928 18301 3431 1 9 . 1 1 50 50 THR HA H 50 5.486 5.486 4.811 0.675 18301 3432 1 9 . 1 1 50 50 THR C C 50 174.286 174.286 173.711 0.575 18301 3433 1 9 . 1 1 50 50 THR CA C 50 61.871 61.871 62.473 -0.602 18301 3434 1 9 . 1 1 50 50 THR CB C 50 68.762 68.762 69.358 -0.596 18301 3435 1 9 . 1 1 50 50 THR H H 50 9.225 9.225 8.504 0.721 18301 3436 1 9 . 1 1 51 51 TYR N N 51 127.720 127.720 125.880 1.840 18301 3437 1 9 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.994 0.671 18301 3438 1 9 . 1 1 51 51 TYR C C 51 171.758 171.758 172.588 -0.830 18301 3439 1 9 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.426 -0.301 18301 3440 1 9 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.801 0.743 18301 3441 1 9 . 1 1 51 51 TYR H H 51 9.846 9.846 9.417 0.429 18301 3442 1 9 . 1 1 52 52 GLN N N 52 120.470 120.470 117.863 2.607 18301 3443 1 9 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.571 0.452 18301 3444 1 9 . 1 1 52 52 GLN C C 52 175.286 175.286 174.171 1.115 18301 3445 1 9 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.538 0.452 18301 3446 1 9 . 1 1 52 52 GLN H H 52 9.072 9.072 8.506 0.566 18301 3447 1 9 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.729 -1.011 18301 3448 1 9 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.005 0.398 18301 3449 1 9 . 1 1 54 54 TYR N N 54 114.650 114.650 116.737 -2.087 18301 3450 1 9 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.472 -0.071 18301 3451 1 9 . 1 1 54 54 TYR C C 54 175.689 175.689 175.106 0.583 18301 3452 1 9 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.273 -0.539 18301 3453 1 9 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.997 -1.425 18301 3454 1 9 . 1 1 54 54 TYR H H 54 8.158 8.158 8.225 -0.067 18301 3455 1 9 . 1 1 55 55 LEU N N 55 117.788 117.788 117.696 0.092 18301 3456 1 9 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.444 -0.032 18301 3457 1 9 . 1 1 55 55 LEU C C 55 175.786 175.786 176.843 -1.057 18301 3458 1 9 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.952 0.088 18301 3459 1 9 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.424 2.445 18301 3460 1 9 . 1 1 55 55 LEU H H 55 7.968 7.968 7.334 0.634 18301 3461 1 9 . 1 1 56 56 ILE N N 56 121.565 121.565 118.311 3.254 18301 3462 1 9 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.385 0.036 18301 3463 1 9 . 1 1 56 56 ILE C C 56 170.396 170.396 174.174 -3.778 18301 3464 1 9 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.231 2.124 18301 3465 1 9 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.219 -0.433 18301 3466 1 9 . 1 1 56 56 ILE H H 56 8.211 8.211 7.829 0.382 18301 3467 1 9 . 1 1 57 57 GLN N N 57 119.400 119.400 124.495 -5.095 18301 3468 1 9 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.884 0.109 18301 3469 1 9 . 1 1 57 57 GLN C C 57 175.911 175.911 174.652 1.259 18301 3470 1 9 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.741 -2.494 18301 3471 1 9 . 1 1 57 57 GLN CB C 57 29.884 29.884 28.666 1.218 18301 3472 1 9 . 1 1 57 57 GLN H H 57 7.953 7.953 8.653 -0.700 18301 3473 1 9 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.509 0.571 18301 3474 1 9 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.962 -0.162 18301 3475 1 9 . 1 1 59 59 GLU N N 59 116.700 116.700 118.308 -1.608 18301 3476 1 9 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.988 -0.411 18301 3477 1 9 . 1 1 59 59 GLU C C 59 177.634 177.634 178.333 -0.699 18301 3478 1 9 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.822 1.533 18301 3479 1 9 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.805 -0.398 18301 3480 1 9 . 1 1 59 59 GLU H H 59 9.588 9.588 8.588 1.000 18301 3481 1 9 . 1 1 60 60 ASP N N 60 116.670 116.670 118.411 -1.741 18301 3482 1 9 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.454 -0.183 18301 3483 1 9 . 1 1 60 60 ASP C C 60 178.898 178.898 178.898 0.000 18301 3484 1 9 . 1 1 60 60 ASP CA C 60 56.887 56.887 56.981 -0.094 18301 3485 1 9 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.623 0.103 18301 3486 1 9 . 1 1 60 60 ASP H H 60 6.994 6.994 8.283 -1.289 18301 3487 1 9 . 1 1 61 61 LEU N N 61 120.023 120.023 118.255 1.768 18301 3488 1 9 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.181 -0.422 18301 3489 1 9 . 1 1 61 61 LEU C C 61 177.009 177.009 177.757 -0.748 18301 3490 1 9 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.590 0.629 18301 3491 1 9 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.391 0.174 18301 3492 1 9 . 1 1 61 61 LEU H H 61 7.220 7.220 7.438 -0.218 18301 3493 1 9 . 1 1 62 62 ARG N N 62 117.758 117.758 119.225 -1.467 18301 3494 1 9 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.856 0.854 18301 3495 1 9 . 1 1 62 62 ARG C C 62 177.676 177.676 177.970 -0.294 18301 3496 1 9 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.561 -0.139 18301 3497 1 9 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.588 -0.617 18301 3498 1 9 . 1 1 62 62 ARG H H 62 8.034 8.034 7.406 0.628 18301 3499 1 9 . 1 1 63 63 ASP N N 63 119.490 119.490 117.879 1.611 18301 3500 1 9 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.402 -0.014 18301 3501 1 9 . 1 1 63 63 ASP C C 63 178.190 178.190 177.895 0.295 18301 3502 1 9 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.068 0.592 18301 3503 1 9 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.829 -1.736 18301 3504 1 9 . 1 1 63 63 ASP H H 63 8.187 8.187 7.724 0.463 18301 3505 1 9 . 1 1 64 64 HIS N N 64 119.289 119.289 119.067 0.222 18301 3506 1 9 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.197 0.162 18301 3507 1 9 . 1 1 64 64 HIS C C 64 178.607 178.607 177.363 1.244 18301 3508 1 9 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.594 1.730 18301 3509 1 9 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.976 0.424 18301 3510 1 9 . 1 1 64 64 HIS H H 64 8.250 8.250 7.475 0.775 18301 3511 1 9 . 1 1 65 65 VAL N N 65 119.590 119.590 117.830 1.760 18301 3512 1 9 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.467 0.255 18301 3513 1 9 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.059 0.881 18301 3514 1 9 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.623 0.190 18301 3515 1 9 . 1 1 65 65 VAL H H 65 7.638 7.638 7.703 -0.065 18301 3516 1 9 . 1 1 66 66 ASN N N 66 121.680 121.680 117.229 4.451 18301 3517 1 9 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.561 0.589 18301 3518 1 9 . 1 1 66 66 ASN C C 66 180.454 180.454 176.996 3.458 18301 3519 1 9 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.844 -0.161 18301 3520 1 9 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.086 -0.100 18301 3521 1 9 . 1 1 66 66 ASN H H 66 8.461 8.461 7.787 0.674 18301 3522 1 9 . 1 1 67 67 ASP N N 67 120.750 120.750 120.871 -0.121 18301 3523 1 9 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.460 -0.020 18301 3524 1 9 . 1 1 67 67 ASP C C 67 177.537 177.537 177.240 0.297 18301 3525 1 9 . 1 1 67 67 ASP CA C 67 56.628 56.628 55.977 0.651 18301 3526 1 9 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.612 -0.129 18301 3527 1 9 . 1 1 67 67 ASP H H 67 8.385 8.385 7.560 0.825 18301 3528 1 9 . 1 1 68 68 MET N N 68 116.510 116.510 117.036 -0.526 18301 3529 1 9 . 1 1 68 68 MET HA H 68 4.287 4.287 4.238 0.049 18301 3530 1 9 . 1 1 68 68 MET C C 68 176.064 176.064 176.949 -0.885 18301 3531 1 9 . 1 1 68 68 MET CA C 68 56.672 56.672 56.970 -0.298 18301 3532 1 9 . 1 1 68 68 MET CB C 68 33.933 33.933 33.159 0.774 18301 3533 1 9 . 1 1 68 68 MET H H 68 7.680 7.680 7.475 0.205 18301 3534 1 9 . 1 1 69 69 GLY N N 69 105.290 105.290 106.530 -1.240 18301 3535 1 9 . 1 1 69 69 GLY C C 69 173.640 173.640 174.114 -0.474 18301 3536 1 9 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.016 -0.259 18301 3537 1 9 . 1 1 69 69 GLY H H 69 8.049 8.049 7.650 0.399 18301 3538 1 9 . 1 1 70 70 PHE N N 70 118.850 118.850 120.055 -1.205 18301 3539 1 9 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.744 -0.008 18301 3540 1 9 . 1 1 70 70 PHE C C 70 172.772 172.772 174.434 -1.662 18301 3541 1 9 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.966 0.893 18301 3542 1 9 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.764 -0.194 18301 3543 1 9 . 1 1 70 70 PHE H H 70 6.689 6.689 7.340 -0.651 18301 3544 1 9 . 1 1 71 71 GLU N N 71 118.550 118.550 120.982 -2.432 18301 3545 1 9 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.562 0.148 18301 3546 1 9 . 1 1 71 71 GLU C C 71 175.370 175.370 175.030 0.340 18301 3547 1 9 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.638 0.261 18301 3548 1 9 . 1 1 71 71 GLU CB C 71 30.709 30.709 30.628 0.080 18301 3549 1 9 . 1 1 71 71 GLU H H 71 8.030 8.030 8.826 -0.796 18301 3550 1 9 . 1 1 72 72 ALA N N 72 129.745 129.745 127.152 2.593 18301 3551 1 9 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.190 0.726 18301 3552 1 9 . 1 1 72 72 ALA C C 72 176.245 176.245 176.024 0.221 18301 3553 1 9 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.562 -0.893 18301 3554 1 9 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.539 0.956 18301 3555 1 9 . 1 1 72 72 ALA H H 72 9.580 9.580 8.578 1.002 18301 3556 1 9 . 1 1 73 73 ALA N N 73 121.581 121.581 125.325 -3.744 18301 3557 1 9 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.824 -0.303 18301 3558 1 9 . 1 1 73 73 ALA C C 73 176.162 176.162 176.335 -0.173 18301 3559 1 9 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.307 0.436 18301 3560 1 9 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.999 0.630 18301 3561 1 9 . 1 1 73 73 ALA H H 73 8.633 8.633 8.229 0.404 18301 3562 1 9 . 1 1 74 74 ILE N N 74 123.360 123.360 123.363 -0.003 18301 3563 1 9 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.793 0.201 18301 3564 1 9 . 1 1 74 74 ILE C C 74 176.217 176.217 177.189 -0.972 18301 3565 1 9 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.444 0.887 18301 3566 1 9 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.365 0.946 18301 3567 1 9 . 1 1 74 74 ILE H H 74 8.962 8.962 8.649 0.313 18301 3568 1 9 . 1 1 75 75 LYS N N 75 130.310 130.310 127.519 2.791 18301 3569 1 9 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.007 0.546 18301 3570 1 9 . 1 1 75 75 LYS C C 75 175.217 175.217 176.859 -1.642 18301 3571 1 9 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.612 -2.155 18301 3572 1 9 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.456 0.816 18301 3573 1 9 . 1 1 75 75 LYS H H 75 8.842 8.842 8.368 0.474 18301 3574 1 10 . 1 1 4 4 MET N N 4 121.245 121.245 118.879 2.366 18301 3575 1 10 . 1 1 4 4 MET HA H 4 4.302 4.302 4.826 -0.524 18301 3576 1 10 . 1 1 4 4 MET C C 4 175.828 175.828 175.798 0.030 18301 3577 1 10 . 1 1 4 4 MET CA C 4 56.414 56.414 54.908 1.506 18301 3578 1 10 . 1 1 4 4 MET CB C 4 32.361 32.361 32.376 -0.015 18301 3579 1 10 . 1 1 4 4 MET H H 4 8.363 8.363 7.742 0.621 18301 3580 1 10 . 1 1 5 5 GLN N N 5 121.670 121.670 119.868 1.802 18301 3581 1 10 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.395 -0.145 18301 3582 1 10 . 1 1 5 5 GLN C C 5 175.245 175.245 176.026 -0.781 18301 3583 1 10 . 1 1 5 5 GLN CA C 5 56.500 56.500 55.839 0.661 18301 3584 1 10 . 1 1 5 5 GLN CB C 5 29.319 29.319 28.749 0.570 18301 3585 1 10 . 1 1 5 5 GLN H H 5 8.266 8.266 8.164 0.102 18301 3586 1 10 . 1 1 6 6 GLU N N 6 120.500 120.500 118.766 1.734 18301 3587 1 10 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.029 0.748 18301 3588 1 10 . 1 1 6 6 GLU C C 6 174.619 174.619 175.104 -0.485 18301 3589 1 10 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.329 -1.290 18301 3590 1 10 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.475 3.189 18301 3591 1 10 . 1 1 6 6 GLU H H 6 8.238 8.238 7.719 0.519 18301 3592 1 10 . 1 1 7 7 ALA N N 7 125.790 125.790 126.237 -0.447 18301 3593 1 10 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.745 -0.183 18301 3594 1 10 . 1 1 7 7 ALA C C 7 173.633 173.633 175.461 -1.828 18301 3595 1 10 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.657 -0.387 18301 3596 1 10 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.960 0.452 18301 3597 1 10 . 1 1 7 7 ALA H H 7 8.838 8.838 8.156 0.682 18301 3598 1 10 . 1 1 8 8 VAL N N 8 117.770 117.770 120.032 -2.262 18301 3599 1 10 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.001 0.365 18301 3600 1 10 . 1 1 8 8 VAL C C 8 176.717 176.717 175.216 1.501 18301 3601 1 10 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.639 -0.057 18301 3602 1 10 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.426 0.497 18301 3603 1 10 . 1 1 8 8 VAL H H 8 8.340 8.340 8.405 -0.065 18301 3604 1 10 . 1 1 9 9 VAL N N 9 128.140 128.140 126.206 1.934 18301 3605 1 10 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.436 0.389 18301 3606 1 10 . 1 1 9 9 VAL C C 9 170.910 170.910 174.484 -3.574 18301 3607 1 10 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.148 -1.027 18301 3608 1 10 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.312 0.567 18301 3609 1 10 . 1 1 9 9 VAL H H 9 9.560 9.560 9.262 0.298 18301 3610 1 10 . 1 1 10 10 LYS N N 10 126.441 126.441 126.440 0.001 18301 3611 1 10 . 1 1 10 10 LYS HA H 10 5.396 5.396 4.955 0.442 18301 3612 1 10 . 1 1 10 10 LYS C C 10 175.078 175.078 174.987 0.091 18301 3613 1 10 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.570 -0.175 18301 3614 1 10 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.479 0.705 18301 3615 1 10 . 1 1 10 10 LYS H H 10 8.821 8.821 8.537 0.284 18301 3616 1 10 . 1 1 11 11 LEU N N 11 119.930 119.930 123.957 -4.027 18301 3617 1 10 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.903 0.468 18301 3618 1 10 . 1 1 11 11 LEU C C 11 177.801 177.801 175.676 2.125 18301 3619 1 10 . 1 1 11 11 LEU CA C 11 51.903 51.903 54.059 -2.156 18301 3620 1 10 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.177 -2.263 18301 3621 1 10 . 1 1 11 11 LEU H H 11 9.277 9.277 9.127 0.150 18301 3622 1 10 . 1 1 12 12 ARG N N 12 125.200 125.200 122.214 2.986 18301 3623 1 10 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.466 0.438 18301 3624 1 10 . 1 1 12 12 ARG C C 12 175.773 175.773 175.465 0.308 18301 3625 1 10 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.639 0.002 18301 3626 1 10 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.215 -0.202 18301 3627 1 10 . 1 1 12 12 ARG H H 12 9.300 9.300 8.243 1.057 18301 3628 1 10 . 1 1 13 13 VAL N N 13 126.780 126.780 125.966 0.814 18301 3629 1 10 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.204 0.307 18301 3630 1 10 . 1 1 13 13 VAL C C 13 174.564 174.564 175.860 -1.296 18301 3631 1 10 . 1 1 13 13 VAL CA C 13 61.785 61.785 61.392 0.393 18301 3632 1 10 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.253 1.453 18301 3633 1 10 . 1 1 13 13 VAL H H 13 8.110 8.110 8.172 -0.062 18301 3634 1 10 . 1 1 14 14 GLU N N 14 126.510 126.510 126.623 -0.113 18301 3635 1 10 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.372 0.293 18301 3636 1 10 . 1 1 14 14 GLU C C 14 176.426 176.426 177.364 -0.938 18301 3637 1 10 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.283 -0.900 18301 3638 1 10 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.420 1.201 18301 3639 1 10 . 1 1 14 14 GLU H H 14 9.100 9.100 8.811 0.289 18301 3640 1 10 . 1 1 15 15 GLY N N 15 108.020 108.020 107.163 0.857 18301 3641 1 10 . 1 1 15 15 GLY C C 15 175.884 175.884 174.212 1.672 18301 3642 1 10 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.107 -0.207 18301 3643 1 10 . 1 1 15 15 GLY H H 15 8.680 8.680 8.186 0.494 18301 3644 1 10 . 1 1 16 16 MET N N 16 120.590 120.590 120.745 -0.155 18301 3645 1 10 . 1 1 16 16 MET HA H 16 4.880 4.880 4.214 0.666 18301 3646 1 10 . 1 1 16 16 MET C C 16 177.342 177.342 175.631 1.711 18301 3647 1 10 . 1 1 16 16 MET CA C 16 56.672 56.672 56.664 0.008 18301 3648 1 10 . 1 1 16 16 MET H H 16 9.033 9.033 7.774 1.259 18301 3649 1 10 . 1 1 17 17 THR N N 17 123.321 123.321 118.343 4.978 18301 3650 1 10 . 1 1 17 17 THR C C 17 176.231 176.231 174.347 1.884 18301 3651 1 10 . 1 1 17 17 THR CA C 17 57.114 57.114 60.699 -3.585 18301 3652 1 10 . 1 1 17 17 THR H H 17 8.591 8.591 8.511 0.080 18301 3653 1 10 . 1 1 18 18 CYS N N 18 120.560 120.560 119.275 1.285 18301 3654 1 10 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.244 0.816 18301 3655 1 10 . 1 1 18 18 CYS C C 18 174.467 174.467 174.724 -0.257 18301 3656 1 10 . 1 1 18 18 CYS CA C 18 57.500 57.500 60.108 -2.608 18301 3657 1 10 . 1 1 18 18 CYS CB C 18 30.996 30.996 27.294 3.701 18301 3658 1 10 . 1 1 18 18 CYS H H 18 8.809 8.809 8.321 0.488 18301 3659 1 10 . 1 1 20 20 SER N N 20 123.434 123.434 123.184 0.250 18301 3660 1 10 . 1 1 20 20 SER HA H 20 4.461 4.461 4.401 0.060 18301 3661 1 10 . 1 1 20 20 SER C C 20 177.009 177.009 174.959 2.050 18301 3662 1 10 . 1 1 20 20 SER CA C 20 62.214 62.214 57.875 4.339 18301 3663 1 10 . 1 1 20 20 SER H H 20 8.297 8.297 9.033 -0.736 18301 3664 1 10 . 1 1 21 21 CYS N N 21 125.740 125.740 123.615 2.125 18301 3665 1 10 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.326 -0.266 18301 3666 1 10 . 1 1 21 21 CYS C C 21 177.495 177.495 175.730 1.765 18301 3667 1 10 . 1 1 21 21 CYS CA C 21 63.546 63.546 60.685 2.861 18301 3668 1 10 . 1 1 21 21 CYS CB C 21 28.800 28.800 26.706 2.094 18301 3669 1 10 . 1 1 21 21 CYS H H 21 7.861 7.861 8.620 -0.759 18301 3670 1 10 . 1 1 22 22 VAL N N 22 118.130 118.130 120.145 -2.015 18301 3671 1 10 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.514 -0.304 18301 3672 1 10 . 1 1 22 22 VAL C C 22 177.843 177.843 177.865 -0.022 18301 3673 1 10 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.837 -0.412 18301 3674 1 10 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.364 0.170 18301 3675 1 10 . 1 1 22 22 VAL H H 22 6.860 6.860 8.026 -1.166 18301 3676 1 10 . 1 1 23 23 SER N N 23 112.820 112.820 114.484 -1.664 18301 3677 1 10 . 1 1 23 23 SER HA H 23 4.220 4.220 4.142 0.078 18301 3678 1 10 . 1 1 23 23 SER C C 23 178.162 178.162 176.711 1.451 18301 3679 1 10 . 1 1 23 23 SER CA C 23 61.398 61.398 61.938 -0.540 18301 3680 1 10 . 1 1 23 23 SER CB C 23 62.550 62.550 62.775 -0.225 18301 3681 1 10 . 1 1 23 23 SER H H 23 8.341 8.341 7.820 0.521 18301 3682 1 10 . 1 1 24 24 SER N N 24 119.341 119.341 117.789 1.552 18301 3683 1 10 . 1 1 24 24 SER HA H 24 4.859 4.859 4.269 0.590 18301 3684 1 10 . 1 1 24 24 SER C C 24 176.856 176.856 176.385 0.471 18301 3685 1 10 . 1 1 24 24 SER CA C 24 61.570 61.570 61.886 -0.316 18301 3686 1 10 . 1 1 24 24 SER CB C 24 62.506 62.506 63.290 -0.784 18301 3687 1 10 . 1 1 24 24 SER H H 24 8.286 8.286 7.718 0.568 18301 3688 1 10 . 1 1 25 25 ILE N N 25 122.340 122.340 122.071 0.269 18301 3689 1 10 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.972 -0.380 18301 3690 1 10 . 1 1 25 25 ILE C C 25 177.912 177.912 177.878 0.034 18301 3691 1 10 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.388 1.650 18301 3692 1 10 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.619 0.866 18301 3693 1 10 . 1 1 25 25 ILE H H 25 8.057 8.057 7.820 0.237 18301 3694 1 10 . 1 1 26 26 GLU N N 26 117.081 117.081 119.712 -2.631 18301 3695 1 10 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.065 -0.510 18301 3696 1 10 . 1 1 26 26 GLU C C 26 178.523 178.523 179.101 -0.578 18301 3697 1 10 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.709 0.916 18301 3698 1 10 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.302 0.519 18301 3699 1 10 . 1 1 26 26 GLU H H 26 8.504 8.504 8.044 0.460 18301 3700 1 10 . 1 1 27 27 GLY N N 27 102.731 102.731 106.972 -4.241 18301 3701 1 10 . 1 1 27 27 GLY C C 27 175.925 175.925 176.215 -0.290 18301 3702 1 10 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.880 -0.047 18301 3703 1 10 . 1 1 27 27 GLY H H 27 8.231 8.231 7.833 0.398 18301 3704 1 10 . 1 1 28 28 LYS N N 28 119.316 119.316 121.259 -1.943 18301 3705 1 10 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.110 0.000 18301 3706 1 10 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.644 0.385 18301 3707 1 10 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.001 0.916 18301 3708 1 10 . 1 1 28 28 LYS H H 28 7.640 7.640 7.451 0.189 18301 3709 1 10 . 1 1 29 29 VAL N N 29 118.845 118.845 118.098 0.747 18301 3710 1 10 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.736 -0.286 18301 3711 1 10 . 1 1 29 29 VAL C C 29 177.259 177.259 178.445 -1.186 18301 3712 1 10 . 1 1 29 29 VAL CA C 29 65.737 65.737 66.754 -1.017 18301 3713 1 10 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.707 -0.390 18301 3714 1 10 . 1 1 29 29 VAL H H 29 8.577 8.577 7.587 0.990 18301 3715 1 10 . 1 1 30 30 ARG N N 30 115.480 115.480 117.438 -1.958 18301 3716 1 10 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.088 -0.268 18301 3717 1 10 . 1 1 30 30 ARG C C 30 176.717 176.717 177.239 -0.522 18301 3718 1 10 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.228 0.420 18301 3719 1 10 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.691 0.410 18301 3720 1 10 . 1 1 30 30 ARG H H 30 8.083 8.083 7.763 0.320 18301 3721 1 10 . 1 1 31 31 LYS N N 31 114.395 114.395 116.079 -1.684 18301 3722 1 10 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.268 -0.077 18301 3723 1 10 . 1 1 31 31 LYS C C 31 176.870 176.870 176.690 0.180 18301 3724 1 10 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.493 0.749 18301 3725 1 10 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.811 0.113 18301 3726 1 10 . 1 1 31 31 LYS H H 31 6.757 6.757 7.776 -1.019 18301 3727 1 10 . 1 1 32 32 LEU N N 32 121.290 121.290 121.871 -0.581 18301 3728 1 10 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.151 -0.056 18301 3729 1 10 . 1 1 32 32 LEU C C 32 177.398 177.398 177.260 0.138 18301 3730 1 10 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.452 0.201 18301 3731 1 10 . 1 1 32 32 LEU CB C 32 41.308 41.308 42.163 -0.855 18301 3732 1 10 . 1 1 32 32 LEU H H 32 7.386 7.386 7.546 -0.160 18301 3733 1 10 . 1 1 33 33 GLN N N 33 124.330 124.330 124.645 -0.315 18301 3734 1 10 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.238 -0.148 18301 3735 1 10 . 1 1 33 33 GLN C C 33 175.661 175.661 177.045 -1.384 18301 3736 1 10 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.757 -0.862 18301 3737 1 10 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.032 -0.955 18301 3738 1 10 . 1 1 33 33 GLN H H 33 8.650 8.650 8.580 0.070 18301 3739 1 10 . 1 1 34 34 GLY N N 34 109.990 109.990 107.550 2.440 18301 3740 1 10 . 1 1 34 34 GLY C C 34 173.911 173.911 175.064 -1.153 18301 3741 1 10 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.127 0.417 18301 3742 1 10 . 1 1 34 34 GLY H H 34 8.759 8.759 7.908 0.851 18301 3743 1 10 . 1 1 35 35 VAL N N 35 119.540 119.540 121.481 -1.941 18301 3744 1 10 . 1 1 35 35 VAL HA H 35 3.850 3.850 4.009 -0.159 18301 3745 1 10 . 1 1 35 35 VAL C C 35 175.759 175.759 176.363 -0.604 18301 3746 1 10 . 1 1 35 35 VAL CA C 35 63.803 63.803 64.024 -0.221 18301 3747 1 10 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.771 -1.345 18301 3748 1 10 . 1 1 35 35 VAL H H 35 7.600 7.600 7.828 -0.228 18301 3749 1 10 . 1 1 36 36 VAL N N 36 130.030 130.030 126.636 3.394 18301 3750 1 10 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.048 -0.136 18301 3751 1 10 . 1 1 36 36 VAL C C 36 176.023 176.023 176.022 0.001 18301 3752 1 10 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.789 0.411 18301 3753 1 10 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.580 1.100 18301 3754 1 10 . 1 1 36 36 VAL H H 36 9.141 9.141 8.676 0.465 18301 3755 1 10 . 1 1 37 37 ARG N N 37 116.750 116.750 116.270 0.480 18301 3756 1 10 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.555 0.086 18301 3757 1 10 . 1 1 37 37 ARG C C 37 173.230 173.230 173.410 -0.180 18301 3758 1 10 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.479 0.102 18301 3759 1 10 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.721 -0.784 18301 3760 1 10 . 1 1 37 37 ARG H H 37 7.859 7.859 7.704 0.155 18301 3761 1 10 . 1 1 38 38 VAL N N 38 119.900 119.900 117.108 2.792 18301 3762 1 10 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.827 0.152 18301 3763 1 10 . 1 1 38 38 VAL C C 38 171.841 171.841 174.313 -2.472 18301 3764 1 10 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.715 -1.078 18301 3765 1 10 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.003 -0.644 18301 3766 1 10 . 1 1 38 38 VAL H H 38 8.785 8.785 8.732 0.053 18301 3767 1 10 . 1 1 39 39 LYS N N 39 126.750 126.750 127.742 -0.992 18301 3768 1 10 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.648 0.162 18301 3769 1 10 . 1 1 39 39 LYS C C 39 175.634 175.634 174.584 1.050 18301 3770 1 10 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.343 0.095 18301 3771 1 10 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.397 0.960 18301 3772 1 10 . 1 1 39 39 LYS H H 39 8.360 8.360 8.405 -0.045 18301 3773 1 10 . 1 1 40 40 VAL N N 40 131.410 131.410 125.479 5.931 18301 3774 1 10 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.377 0.410 18301 3775 1 10 . 1 1 40 40 VAL C C 40 173.522 173.522 175.327 -1.805 18301 3776 1 10 . 1 1 40 40 VAL CA C 40 60.968 60.968 60.431 0.537 18301 3777 1 10 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.537 -1.134 18301 3778 1 10 . 1 1 40 40 VAL H H 40 10.183 10.183 8.498 1.685 18301 3779 1 10 . 1 1 41 41 SER N N 41 120.470 120.470 121.854 -1.384 18301 3780 1 10 . 1 1 41 41 SER HA H 41 4.852 4.852 4.775 0.077 18301 3781 1 10 . 1 1 41 41 SER C C 41 175.217 175.217 175.162 0.055 18301 3782 1 10 . 1 1 41 41 SER CA C 41 55.039 55.039 55.592 -0.553 18301 3783 1 10 . 1 1 41 41 SER CB C 41 64.710 64.710 63.289 1.421 18301 3784 1 10 . 1 1 41 41 SER H H 41 8.868 8.868 8.229 0.639 18301 3785 1 10 . 1 1 42 42 LEU N N 42 130.390 130.390 126.953 3.437 18301 3786 1 10 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.588 0.222 18301 3787 1 10 . 1 1 42 42 LEU C C 42 179.982 179.982 176.969 3.013 18301 3788 1 10 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.384 1.491 18301 3789 1 10 . 1 1 42 42 LEU CB C 42 42.030 42.030 40.955 1.075 18301 3790 1 10 . 1 1 42 42 LEU H H 42 8.998 8.998 8.660 0.338 18301 3791 1 10 . 1 1 44 44 ASN N N 44 116.079 116.079 117.940 -1.861 18301 3792 1 10 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.884 -0.040 18301 3793 1 10 . 1 1 44 44 ASN C C 44 173.786 173.786 174.314 -0.528 18301 3794 1 10 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.250 0.040 18301 3795 1 10 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.231 -1.051 18301 3796 1 10 . 1 1 44 44 ASN H H 44 7.812 7.812 7.492 0.320 18301 3797 1 10 . 1 1 45 45 GLN N N 45 117.658 117.658 114.081 3.577 18301 3798 1 10 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.869 -0.268 18301 3799 1 10 . 1 1 45 45 GLN C C 45 175.314 175.314 173.826 1.488 18301 3800 1 10 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.186 -0.256 18301 3801 1 10 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.023 0.038 18301 3802 1 10 . 1 1 45 45 GLN H H 45 7.679 7.679 7.736 -0.057 18301 3803 1 10 . 1 1 46 46 GLU N N 46 116.510 116.510 116.492 0.018 18301 3804 1 10 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.806 0.888 18301 3805 1 10 . 1 1 46 46 GLU C C 46 173.869 173.869 173.816 0.053 18301 3806 1 10 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.936 0.459 18301 3807 1 10 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.207 1.324 18301 3808 1 10 . 1 1 46 46 GLU H H 46 7.780 7.780 7.713 0.067 18301 3809 1 10 . 1 1 47 47 ALA N N 47 124.870 124.870 122.224 2.646 18301 3810 1 10 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.608 0.499 18301 3811 1 10 . 1 1 47 47 ALA C C 47 174.758 174.758 174.968 -0.210 18301 3812 1 10 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.878 -1.080 18301 3813 1 10 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.698 0.378 18301 3814 1 10 . 1 1 47 47 ALA H H 47 9.170 9.170 9.072 0.098 18301 3815 1 10 . 1 1 48 48 VAL N N 48 123.890 123.890 124.362 -0.472 18301 3816 1 10 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.765 -0.193 18301 3817 1 10 . 1 1 48 48 VAL C C 48 176.217 176.217 175.014 1.203 18301 3818 1 10 . 1 1 48 48 VAL CA C 48 62.644 62.644 60.243 2.401 18301 3819 1 10 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.373 -0.840 18301 3820 1 10 . 1 1 48 48 VAL H H 48 8.930 8.930 8.811 0.119 18301 3821 1 10 . 1 1 49 49 ILE N N 49 129.890 129.890 128.387 1.503 18301 3822 1 10 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.461 0.379 18301 3823 1 10 . 1 1 49 49 ILE C C 49 174.619 174.619 174.845 -0.226 18301 3824 1 10 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.677 -0.267 18301 3825 1 10 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.245 0.672 18301 3826 1 10 . 1 1 49 49 ILE H H 49 9.340 9.340 9.363 -0.023 18301 3827 1 10 . 1 1 50 50 THR N N 50 125.910 125.910 124.920 0.990 18301 3828 1 10 . 1 1 50 50 THR HA H 50 5.486 5.486 4.774 0.712 18301 3829 1 10 . 1 1 50 50 THR C C 50 174.286 174.286 173.688 0.598 18301 3830 1 10 . 1 1 50 50 THR CA C 50 61.871 61.871 62.781 -0.910 18301 3831 1 10 . 1 1 50 50 THR CB C 50 68.762 68.762 69.414 -0.652 18301 3832 1 10 . 1 1 50 50 THR H H 50 9.225 9.225 9.045 0.180 18301 3833 1 10 . 1 1 51 51 TYR N N 51 127.720 127.720 125.598 2.122 18301 3834 1 10 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.963 0.702 18301 3835 1 10 . 1 1 51 51 TYR C C 51 171.758 171.758 172.872 -1.114 18301 3836 1 10 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.437 -0.312 18301 3837 1 10 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.673 0.870 18301 3838 1 10 . 1 1 51 51 TYR H H 51 9.846 9.846 9.397 0.449 18301 3839 1 10 . 1 1 52 52 GLN N N 52 120.470 120.470 118.235 2.235 18301 3840 1 10 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.612 0.411 18301 3841 1 10 . 1 1 52 52 GLN C C 52 175.286 175.286 173.995 1.291 18301 3842 1 10 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.095 0.894 18301 3843 1 10 . 1 1 52 52 GLN H H 52 9.072 9.072 8.553 0.519 18301 3844 1 10 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.353 -0.635 18301 3845 1 10 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.121 0.282 18301 3846 1 10 . 1 1 54 54 TYR N N 54 114.650 114.650 117.611 -2.961 18301 3847 1 10 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.436 -0.035 18301 3848 1 10 . 1 1 54 54 TYR C C 54 175.689 175.689 175.147 0.542 18301 3849 1 10 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.955 -0.221 18301 3850 1 10 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.679 -1.107 18301 3851 1 10 . 1 1 54 54 TYR H H 54 8.158 8.158 8.081 0.077 18301 3852 1 10 . 1 1 55 55 LEU N N 55 117.788 117.788 117.780 0.008 18301 3853 1 10 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.411 0.001 18301 3854 1 10 . 1 1 55 55 LEU C C 55 175.786 175.786 176.830 -1.044 18301 3855 1 10 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.994 0.045 18301 3856 1 10 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.384 2.485 18301 3857 1 10 . 1 1 55 55 LEU H H 55 7.968 7.968 7.286 0.682 18301 3858 1 10 . 1 1 56 56 ILE N N 56 121.565 121.565 118.505 3.060 18301 3859 1 10 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.378 0.043 18301 3860 1 10 . 1 1 56 56 ILE C C 56 170.396 170.396 174.323 -3.927 18301 3861 1 10 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.249 2.106 18301 3862 1 10 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.671 -0.884 18301 3863 1 10 . 1 1 56 56 ILE H H 56 8.211 8.211 7.965 0.246 18301 3864 1 10 . 1 1 57 57 GLN N N 57 119.400 119.400 124.439 -5.039 18301 3865 1 10 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.822 0.171 18301 3866 1 10 . 1 1 57 57 GLN C C 57 175.911 175.911 174.954 0.957 18301 3867 1 10 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.540 -2.293 18301 3868 1 10 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.115 0.769 18301 3869 1 10 . 1 1 57 57 GLN H H 57 7.953 7.953 8.665 -0.712 18301 3870 1 10 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.622 0.458 18301 3871 1 10 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.801 -0.001 18301 3872 1 10 . 1 1 59 59 GLU N N 59 116.700 116.700 119.067 -2.367 18301 3873 1 10 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.976 -0.399 18301 3874 1 10 . 1 1 59 59 GLU C C 59 177.634 177.634 178.280 -0.646 18301 3875 1 10 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.970 1.385 18301 3876 1 10 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.950 -0.543 18301 3877 1 10 . 1 1 59 59 GLU H H 59 9.588 9.588 8.621 0.967 18301 3878 1 10 . 1 1 60 60 ASP N N 60 116.670 116.670 118.506 -1.836 18301 3879 1 10 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.416 -0.145 18301 3880 1 10 . 1 1 60 60 ASP C C 60 178.898 178.898 178.503 0.395 18301 3881 1 10 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.314 -0.427 18301 3882 1 10 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.483 0.243 18301 3883 1 10 . 1 1 60 60 ASP H H 60 6.994 6.994 8.339 -1.345 18301 3884 1 10 . 1 1 61 61 LEU N N 61 120.023 120.023 118.628 1.395 18301 3885 1 10 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.213 -0.454 18301 3886 1 10 . 1 1 61 61 LEU C C 61 177.009 177.009 178.152 -1.143 18301 3887 1 10 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.735 0.484 18301 3888 1 10 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.394 0.171 18301 3889 1 10 . 1 1 61 61 LEU H H 61 7.220 7.220 7.508 -0.288 18301 3890 1 10 . 1 1 62 62 ARG N N 62 117.758 117.758 119.432 -1.674 18301 3891 1 10 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.811 0.899 18301 3892 1 10 . 1 1 62 62 ARG C C 62 177.676 177.676 177.412 0.264 18301 3893 1 10 . 1 1 62 62 ARG CA C 62 59.422 59.422 60.141 -0.719 18301 3894 1 10 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.690 -0.719 18301 3895 1 10 . 1 1 62 62 ARG H H 62 8.034 8.034 7.700 0.334 18301 3896 1 10 . 1 1 63 63 ASP N N 63 119.490 119.490 117.666 1.824 18301 3897 1 10 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.391 -0.003 18301 3898 1 10 . 1 1 63 63 ASP C C 63 178.190 178.190 178.197 -0.007 18301 3899 1 10 . 1 1 63 63 ASP CA C 63 57.660 57.660 56.982 0.678 18301 3900 1 10 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.816 -1.723 18301 3901 1 10 . 1 1 63 63 ASP H H 63 8.187 8.187 7.915 0.272 18301 3902 1 10 . 1 1 64 64 HIS N N 64 119.289 119.289 119.683 -0.394 18301 3903 1 10 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.354 0.005 18301 3904 1 10 . 1 1 64 64 HIS C C 64 178.607 178.607 177.424 1.183 18301 3905 1 10 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.458 1.866 18301 3906 1 10 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.608 0.792 18301 3907 1 10 . 1 1 64 64 HIS H H 64 8.250 8.250 7.417 0.833 18301 3908 1 10 . 1 1 65 65 VAL N N 65 119.590 119.590 118.870 0.720 18301 3909 1 10 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.281 0.441 18301 3910 1 10 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.438 0.502 18301 3911 1 10 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.269 0.544 18301 3912 1 10 . 1 1 65 65 VAL H H 65 7.638 7.638 7.699 -0.061 18301 3913 1 10 . 1 1 66 66 ASN N N 66 121.680 121.680 118.021 3.659 18301 3914 1 10 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.553 0.597 18301 3915 1 10 . 1 1 66 66 ASN C C 66 180.454 180.454 177.503 2.951 18301 3916 1 10 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.601 0.082 18301 3917 1 10 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.068 -0.082 18301 3918 1 10 . 1 1 66 66 ASN H H 66 8.461 8.461 7.767 0.694 18301 3919 1 10 . 1 1 67 67 ASP N N 67 120.750 120.750 121.082 -0.332 18301 3920 1 10 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.456 -0.016 18301 3921 1 10 . 1 1 67 67 ASP C C 67 177.537 177.537 177.388 0.149 18301 3922 1 10 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.454 0.174 18301 3923 1 10 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.608 -0.125 18301 3924 1 10 . 1 1 67 67 ASP H H 67 8.385 8.385 7.736 0.649 18301 3925 1 10 . 1 1 68 68 MET N N 68 116.510 116.510 116.514 -0.004 18301 3926 1 10 . 1 1 68 68 MET HA H 68 4.287 4.287 4.280 0.007 18301 3927 1 10 . 1 1 68 68 MET C C 68 176.064 176.064 177.171 -1.107 18301 3928 1 10 . 1 1 68 68 MET CA C 68 56.672 56.672 55.683 0.989 18301 3929 1 10 . 1 1 68 68 MET CB C 68 33.933 33.933 33.101 0.832 18301 3930 1 10 . 1 1 68 68 MET H H 68 7.680 7.680 7.424 0.256 18301 3931 1 10 . 1 1 69 69 GLY N N 69 105.290 105.290 107.884 -2.594 18301 3932 1 10 . 1 1 69 69 GLY C C 69 173.640 173.640 173.809 -0.169 18301 3933 1 10 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.289 -0.533 18301 3934 1 10 . 1 1 69 69 GLY H H 69 8.049 8.049 8.098 -0.049 18301 3935 1 10 . 1 1 70 70 PHE N N 70 118.850 118.850 118.972 -0.122 18301 3936 1 10 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.704 0.032 18301 3937 1 10 . 1 1 70 70 PHE C C 70 172.772 172.772 176.067 -3.295 18301 3938 1 10 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.921 0.938 18301 3939 1 10 . 1 1 70 70 PHE CB C 70 40.570 40.570 39.951 0.619 18301 3940 1 10 . 1 1 70 70 PHE H H 70 6.689 6.689 7.385 -0.696 18301 3941 1 10 . 1 1 71 71 GLU N N 71 118.550 118.550 119.900 -1.350 18301 3942 1 10 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.398 0.312 18301 3943 1 10 . 1 1 71 71 GLU C C 71 175.370 175.370 175.555 -0.185 18301 3944 1 10 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.279 0.620 18301 3945 1 10 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.984 0.725 18301 3946 1 10 . 1 1 71 71 GLU H H 71 8.030 8.030 8.953 -0.923 18301 3947 1 10 . 1 1 72 72 ALA N N 72 129.745 129.745 121.961 7.784 18301 3948 1 10 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.260 1.656 18301 3949 1 10 . 1 1 72 72 ALA C C 72 176.245 176.245 176.746 -0.501 18301 3950 1 10 . 1 1 72 72 ALA CA C 72 49.669 49.669 52.670 -3.001 18301 3951 1 10 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.439 3.057 18301 3952 1 10 . 1 1 72 72 ALA H H 72 9.580 9.580 7.738 1.842 18301 3953 1 10 . 1 1 73 73 ALA N N 73 121.581 121.581 125.216 -3.635 18301 3954 1 10 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.684 -0.163 18301 3955 1 10 . 1 1 73 73 ALA C C 73 176.162 176.162 175.735 0.427 18301 3956 1 10 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.351 0.392 18301 3957 1 10 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.132 0.497 18301 3958 1 10 . 1 1 73 73 ALA H H 73 8.633 8.633 7.971 0.662 18301 3959 1 10 . 1 1 74 74 ILE N N 74 123.360 123.360 121.162 2.198 18301 3960 1 10 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.894 0.100 18301 3961 1 10 . 1 1 74 74 ILE C C 74 176.217 176.217 177.340 -1.123 18301 3962 1 10 . 1 1 74 74 ILE CA C 74 63.331 63.331 61.180 2.151 18301 3963 1 10 . 1 1 74 74 ILE CB C 74 38.311 38.311 36.431 1.880 18301 3964 1 10 . 1 1 74 74 ILE H H 74 8.962 8.962 8.548 0.414 18301 3965 1 10 . 1 1 75 75 LYS N N 75 130.310 130.310 128.158 2.152 18301 3966 1 10 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.012 0.541 18301 3967 1 10 . 1 1 75 75 LYS C C 75 175.217 175.217 176.355 -1.138 18301 3968 1 10 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.459 -2.002 18301 3969 1 10 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.583 0.689 18301 3970 1 10 . 1 1 75 75 LYS H H 75 8.842 8.842 8.409 0.433 18301 3971 1 11 . 1 1 4 4 MET N N 4 121.245 121.245 119.490 1.755 18301 3972 1 11 . 1 1 4 4 MET HA H 4 4.302 4.302 4.802 -0.500 18301 3973 1 11 . 1 1 4 4 MET C C 4 175.828 175.828 175.489 0.339 18301 3974 1 11 . 1 1 4 4 MET CA C 4 56.414 56.414 55.113 1.301 18301 3975 1 11 . 1 1 4 4 MET CB C 4 32.361 32.361 34.626 -2.265 18301 3976 1 11 . 1 1 4 4 MET H H 4 8.363 8.363 7.657 0.706 18301 3977 1 11 . 1 1 5 5 GLN N N 5 121.670 121.670 121.723 -0.053 18301 3978 1 11 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.356 -0.106 18301 3979 1 11 . 1 1 5 5 GLN C C 5 175.245 175.245 175.796 -0.551 18301 3980 1 11 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.136 0.364 18301 3981 1 11 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.412 -0.093 18301 3982 1 11 . 1 1 5 5 GLN H H 5 8.266 8.266 8.626 -0.360 18301 3983 1 11 . 1 1 6 6 GLU N N 6 120.500 120.500 119.271 1.229 18301 3984 1 11 . 1 1 6 6 GLU HA H 6 4.777 4.777 3.980 0.797 18301 3985 1 11 . 1 1 6 6 GLU C C 6 174.619 174.619 175.102 -0.483 18301 3986 1 11 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.634 -1.595 18301 3987 1 11 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.656 3.008 18301 3988 1 11 . 1 1 6 6 GLU H H 6 8.238 8.238 7.790 0.448 18301 3989 1 11 . 1 1 7 7 ALA N N 7 125.790 125.790 126.862 -1.072 18301 3990 1 11 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.842 -0.280 18301 3991 1 11 . 1 1 7 7 ALA C C 7 173.633 173.633 175.277 -1.644 18301 3992 1 11 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.843 -0.573 18301 3993 1 11 . 1 1 7 7 ALA CB C 7 22.412 22.412 22.149 0.263 18301 3994 1 11 . 1 1 7 7 ALA H H 7 8.838 8.838 8.359 0.479 18301 3995 1 11 . 1 1 8 8 VAL N N 8 117.770 117.770 120.525 -2.755 18301 3996 1 11 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.966 0.400 18301 3997 1 11 . 1 1 8 8 VAL C C 8 176.717 176.717 175.122 1.595 18301 3998 1 11 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.975 -0.393 18301 3999 1 11 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.603 0.320 18301 4000 1 11 . 1 1 8 8 VAL H H 8 8.340 8.340 8.371 -0.031 18301 4001 1 11 . 1 1 9 9 VAL N N 9 128.140 128.140 126.317 1.823 18301 4002 1 11 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.508 0.317 18301 4003 1 11 . 1 1 9 9 VAL C C 9 170.910 170.910 173.679 -2.769 18301 4004 1 11 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.788 -0.667 18301 4005 1 11 . 1 1 9 9 VAL CB C 9 34.879 34.879 35.355 -0.475 18301 4006 1 11 . 1 1 9 9 VAL H H 9 9.560 9.560 9.232 0.328 18301 4007 1 11 . 1 1 10 10 LYS N N 10 126.441 126.441 127.808 -1.367 18301 4008 1 11 . 1 1 10 10 LYS HA H 10 5.396 5.396 4.989 0.407 18301 4009 1 11 . 1 1 10 10 LYS C C 10 175.078 175.078 174.786 0.292 18301 4010 1 11 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.166 0.229 18301 4011 1 11 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.771 0.413 18301 4012 1 11 . 1 1 10 10 LYS H H 10 8.821 8.821 8.390 0.431 18301 4013 1 11 . 1 1 11 11 LEU N N 11 119.930 119.930 123.932 -4.002 18301 4014 1 11 . 1 1 11 11 LEU HA H 11 5.371 5.371 5.124 0.247 18301 4015 1 11 . 1 1 11 11 LEU C C 11 177.801 177.801 175.796 2.005 18301 4016 1 11 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.999 -2.096 18301 4017 1 11 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.916 -2.002 18301 4018 1 11 . 1 1 11 11 LEU H H 11 9.277 9.277 9.139 0.138 18301 4019 1 11 . 1 1 12 12 ARG N N 12 125.200 125.200 122.373 2.827 18301 4020 1 11 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.463 0.441 18301 4021 1 11 . 1 1 12 12 ARG C C 12 175.773 175.773 175.522 0.251 18301 4022 1 11 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.755 -0.114 18301 4023 1 11 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.132 -0.119 18301 4024 1 11 . 1 1 12 12 ARG H H 12 9.300 9.300 8.305 0.995 18301 4025 1 11 . 1 1 13 13 VAL N N 13 126.780 126.780 127.153 -0.373 18301 4026 1 11 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.070 0.441 18301 4027 1 11 . 1 1 13 13 VAL C C 13 174.564 174.564 175.103 -0.539 18301 4028 1 11 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.409 -0.624 18301 4029 1 11 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.336 1.370 18301 4030 1 11 . 1 1 13 13 VAL H H 13 8.110 8.110 8.005 0.105 18301 4031 1 11 . 1 1 14 14 GLU N N 14 126.510 126.510 124.899 1.611 18301 4032 1 11 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.379 0.286 18301 4033 1 11 . 1 1 14 14 GLU C C 14 176.426 176.426 177.146 -0.720 18301 4034 1 11 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.630 -1.247 18301 4035 1 11 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.371 1.250 18301 4036 1 11 . 1 1 14 14 GLU H H 14 9.100 9.100 8.734 0.366 18301 4037 1 11 . 1 1 15 15 GLY N N 15 108.020 108.020 107.647 0.373 18301 4038 1 11 . 1 1 15 15 GLY C C 15 175.884 175.884 175.340 0.544 18301 4039 1 11 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.238 -0.338 18301 4040 1 11 . 1 1 15 15 GLY H H 15 8.680 8.680 8.089 0.591 18301 4041 1 11 . 1 1 16 16 MET N N 16 120.590 120.590 119.584 1.006 18301 4042 1 11 . 1 1 16 16 MET HA H 16 4.880 4.880 4.383 0.497 18301 4043 1 11 . 1 1 16 16 MET C C 16 177.342 177.342 176.316 1.026 18301 4044 1 11 . 1 1 16 16 MET CA C 16 56.672 56.672 56.492 0.180 18301 4045 1 11 . 1 1 16 16 MET H H 16 9.033 9.033 8.141 0.892 18301 4046 1 11 . 1 1 17 17 THR N N 17 123.321 123.321 112.225 11.096 18301 4047 1 11 . 1 1 17 17 THR C C 17 176.231 176.231 175.189 1.042 18301 4048 1 11 . 1 1 17 17 THR CA C 17 57.114 57.114 64.441 -7.327 18301 4049 1 11 . 1 1 17 17 THR H H 17 8.591 8.591 8.044 0.547 18301 4050 1 11 . 1 1 18 18 CYS N N 18 120.560 120.560 123.645 -3.085 18301 4051 1 11 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.511 0.549 18301 4052 1 11 . 1 1 18 18 CYS C C 18 174.467 174.467 173.701 0.766 18301 4053 1 11 . 1 1 18 18 CYS CA C 18 57.500 57.500 58.788 -1.288 18301 4054 1 11 . 1 1 18 18 CYS CB C 18 30.996 30.996 26.484 4.512 18301 4055 1 11 . 1 1 18 18 CYS H H 18 8.809 8.809 7.774 1.035 18301 4056 1 11 . 1 1 20 20 SER N N 20 123.434 123.434 118.405 5.029 18301 4057 1 11 . 1 1 20 20 SER HA H 20 4.461 4.461 4.476 -0.015 18301 4058 1 11 . 1 1 20 20 SER C C 20 177.009 177.009 175.690 1.319 18301 4059 1 11 . 1 1 20 20 SER CA C 20 62.214 62.214 58.953 3.261 18301 4060 1 11 . 1 1 20 20 SER H H 20 8.297 8.297 8.487 -0.190 18301 4061 1 11 . 1 1 21 21 CYS N N 21 125.740 125.740 123.781 1.959 18301 4062 1 11 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.333 -0.273 18301 4063 1 11 . 1 1 21 21 CYS C C 21 177.495 177.495 176.130 1.365 18301 4064 1 11 . 1 1 21 21 CYS CA C 21 63.546 63.546 62.342 1.204 18301 4065 1 11 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.459 1.341 18301 4066 1 11 . 1 1 21 21 CYS H H 21 7.861 7.861 8.167 -0.306 18301 4067 1 11 . 1 1 22 22 VAL N N 22 118.130 118.130 120.347 -2.217 18301 4068 1 11 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.499 -0.289 18301 4069 1 11 . 1 1 22 22 VAL C C 22 177.843 177.843 178.091 -0.248 18301 4070 1 11 . 1 1 22 22 VAL CA C 22 66.425 66.425 67.246 -0.821 18301 4071 1 11 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.583 -0.049 18301 4072 1 11 . 1 1 22 22 VAL H H 22 6.860 6.860 8.298 -1.438 18301 4073 1 11 . 1 1 23 23 SER N N 23 112.820 112.820 113.561 -0.741 18301 4074 1 11 . 1 1 23 23 SER HA H 23 4.220 4.220 4.196 0.024 18301 4075 1 11 . 1 1 23 23 SER C C 23 178.162 178.162 176.592 1.570 18301 4076 1 11 . 1 1 23 23 SER CA C 23 61.398 61.398 61.760 -0.362 18301 4077 1 11 . 1 1 23 23 SER CB C 23 62.550 62.550 62.613 -0.063 18301 4078 1 11 . 1 1 23 23 SER H H 23 8.341 8.341 7.759 0.582 18301 4079 1 11 . 1 1 24 24 SER N N 24 119.341 119.341 118.242 1.099 18301 4080 1 11 . 1 1 24 24 SER HA H 24 4.859 4.859 4.275 0.584 18301 4081 1 11 . 1 1 24 24 SER C C 24 176.856 176.856 176.870 -0.014 18301 4082 1 11 . 1 1 24 24 SER CA C 24 61.570 61.570 61.152 0.418 18301 4083 1 11 . 1 1 24 24 SER CB C 24 62.506 62.506 62.965 -0.459 18301 4084 1 11 . 1 1 24 24 SER H H 24 8.286 8.286 7.541 0.745 18301 4085 1 11 . 1 1 25 25 ILE N N 25 122.340 122.340 122.027 0.313 18301 4086 1 11 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.841 -0.249 18301 4087 1 11 . 1 1 25 25 ILE C C 25 177.912 177.912 178.058 -0.146 18301 4088 1 11 . 1 1 25 25 ILE CA C 25 66.038 66.038 65.166 0.872 18301 4089 1 11 . 1 1 25 25 ILE CB C 25 38.485 38.485 38.026 0.459 18301 4090 1 11 . 1 1 25 25 ILE H H 25 8.057 8.057 8.582 -0.525 18301 4091 1 11 . 1 1 26 26 GLU N N 26 117.081 117.081 119.921 -2.840 18301 4092 1 11 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.033 -0.478 18301 4093 1 11 . 1 1 26 26 GLU C C 26 178.523 178.523 179.551 -1.028 18301 4094 1 11 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.946 0.679 18301 4095 1 11 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.285 0.536 18301 4096 1 11 . 1 1 26 26 GLU H H 26 8.504 8.504 7.725 0.779 18301 4097 1 11 . 1 1 27 27 GLY N N 27 102.731 102.731 106.700 -3.969 18301 4098 1 11 . 1 1 27 27 GLY C C 27 175.925 175.925 176.295 -0.370 18301 4099 1 11 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.601 0.232 18301 4100 1 11 . 1 1 27 27 GLY H H 27 8.231 8.231 7.793 0.438 18301 4101 1 11 . 1 1 28 28 LYS N N 28 119.316 119.316 121.996 -2.680 18301 4102 1 11 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.184 -0.074 18301 4103 1 11 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.288 0.741 18301 4104 1 11 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.117 0.799 18301 4105 1 11 . 1 1 28 28 LYS H H 28 7.640 7.640 7.427 0.213 18301 4106 1 11 . 1 1 29 29 VAL N N 29 118.845 118.845 119.396 -0.551 18301 4107 1 11 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.716 -0.266 18301 4108 1 11 . 1 1 29 29 VAL C C 29 177.259 177.259 177.837 -0.578 18301 4109 1 11 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.193 0.544 18301 4110 1 11 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.623 -0.307 18301 4111 1 11 . 1 1 29 29 VAL H H 29 8.577 8.577 7.646 0.931 18301 4112 1 11 . 1 1 30 30 ARG N N 30 115.480 115.480 117.877 -2.397 18301 4113 1 11 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.085 -0.265 18301 4114 1 11 . 1 1 30 30 ARG C C 30 176.717 176.717 177.085 -0.368 18301 4115 1 11 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.377 0.271 18301 4116 1 11 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.215 -0.115 18301 4117 1 11 . 1 1 30 30 ARG H H 30 8.083 8.083 7.497 0.586 18301 4118 1 11 . 1 1 31 31 LYS N N 31 114.395 114.395 116.328 -1.933 18301 4119 1 11 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.297 -0.106 18301 4120 1 11 . 1 1 31 31 LYS C C 31 176.870 176.870 177.119 -0.249 18301 4121 1 11 . 1 1 31 31 LYS CA C 31 56.242 56.242 56.722 -0.480 18301 4122 1 11 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.615 0.309 18301 4123 1 11 . 1 1 31 31 LYS H H 31 6.757 6.757 7.863 -1.106 18301 4124 1 11 . 1 1 32 32 LEU N N 32 121.290 121.290 122.199 -0.909 18301 4125 1 11 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.236 -0.141 18301 4126 1 11 . 1 1 32 32 LEU C C 32 177.398 177.398 177.820 -0.422 18301 4127 1 11 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.932 -0.279 18301 4128 1 11 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.955 -0.647 18301 4129 1 11 . 1 1 32 32 LEU H H 32 7.386 7.386 7.488 -0.102 18301 4130 1 11 . 1 1 33 33 GLN N N 33 124.330 124.330 122.994 1.336 18301 4131 1 11 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.271 -0.181 18301 4132 1 11 . 1 1 33 33 GLN C C 33 175.661 175.661 176.769 -1.108 18301 4133 1 11 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.304 -0.409 18301 4134 1 11 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.821 -0.744 18301 4135 1 11 . 1 1 33 33 GLN H H 33 8.650 8.650 8.540 0.110 18301 4136 1 11 . 1 1 34 34 GLY N N 34 109.990 109.990 108.473 1.517 18301 4137 1 11 . 1 1 34 34 GLY C C 34 173.911 173.911 175.189 -1.278 18301 4138 1 11 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.874 0.670 18301 4139 1 11 . 1 1 34 34 GLY H H 34 8.759 8.759 7.984 0.775 18301 4140 1 11 . 1 1 35 35 VAL N N 35 119.540 119.540 121.403 -1.863 18301 4141 1 11 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.904 -0.054 18301 4142 1 11 . 1 1 35 35 VAL C C 35 175.759 175.759 175.973 -0.214 18301 4143 1 11 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.661 0.142 18301 4144 1 11 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.715 -1.289 18301 4145 1 11 . 1 1 35 35 VAL H H 35 7.600 7.600 7.772 -0.172 18301 4146 1 11 . 1 1 36 36 VAL N N 36 130.030 130.030 123.962 6.068 18301 4147 1 11 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.065 -0.153 18301 4148 1 11 . 1 1 36 36 VAL C C 36 176.023 176.023 175.495 0.528 18301 4149 1 11 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.661 0.539 18301 4150 1 11 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.581 1.099 18301 4151 1 11 . 1 1 36 36 VAL H H 36 9.141 9.141 8.879 0.262 18301 4152 1 11 . 1 1 37 37 ARG N N 37 116.750 116.750 115.571 1.179 18301 4153 1 11 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.492 0.149 18301 4154 1 11 . 1 1 37 37 ARG C C 37 173.230 173.230 173.070 0.160 18301 4155 1 11 . 1 1 37 37 ARG CA C 37 55.581 55.581 54.828 0.753 18301 4156 1 11 . 1 1 37 37 ARG CB C 37 33.937 33.937 32.937 1.000 18301 4157 1 11 . 1 1 37 37 ARG H H 37 7.859 7.859 7.739 0.120 18301 4158 1 11 . 1 1 38 38 VAL N N 38 119.900 119.900 120.997 -1.097 18301 4159 1 11 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.668 0.311 18301 4160 1 11 . 1 1 38 38 VAL C C 38 171.841 171.841 174.709 -2.868 18301 4161 1 11 . 1 1 38 38 VAL CA C 38 59.637 59.637 61.219 -1.582 18301 4162 1 11 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.396 -1.037 18301 4163 1 11 . 1 1 38 38 VAL H H 38 8.785 8.785 8.480 0.305 18301 4164 1 11 . 1 1 39 39 LYS N N 39 126.750 126.750 128.885 -2.135 18301 4165 1 11 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.702 0.108 18301 4166 1 11 . 1 1 39 39 LYS C C 39 175.634 175.634 174.537 1.097 18301 4167 1 11 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.775 -0.337 18301 4168 1 11 . 1 1 39 39 LYS CB C 39 35.357 35.357 35.028 0.329 18301 4169 1 11 . 1 1 39 39 LYS H H 39 8.360 8.360 8.873 -0.513 18301 4170 1 11 . 1 1 40 40 VAL N N 40 131.410 131.410 126.381 5.029 18301 4171 1 11 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.292 0.495 18301 4172 1 11 . 1 1 40 40 VAL C C 40 173.522 173.522 175.077 -1.555 18301 4173 1 11 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.433 -0.465 18301 4174 1 11 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.830 -1.427 18301 4175 1 11 . 1 1 40 40 VAL H H 40 10.183 10.183 8.650 1.533 18301 4176 1 11 . 1 1 41 41 SER N N 41 120.470 120.470 121.553 -1.083 18301 4177 1 11 . 1 1 41 41 SER HA H 41 4.852 4.852 4.822 0.030 18301 4178 1 11 . 1 1 41 41 SER C C 41 175.217 175.217 174.833 0.384 18301 4179 1 11 . 1 1 41 41 SER CA C 41 55.039 55.039 55.923 -0.884 18301 4180 1 11 . 1 1 41 41 SER CB C 41 64.710 64.710 63.261 1.450 18301 4181 1 11 . 1 1 41 41 SER H H 41 8.868 8.868 8.209 0.659 18301 4182 1 11 . 1 1 42 42 LEU N N 42 130.390 130.390 126.661 3.729 18301 4183 1 11 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.622 0.188 18301 4184 1 11 . 1 1 42 42 LEU C C 42 179.982 179.982 177.555 2.427 18301 4185 1 11 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.757 1.118 18301 4186 1 11 . 1 1 42 42 LEU CB C 42 42.030 42.030 42.056 -0.026 18301 4187 1 11 . 1 1 42 42 LEU H H 42 8.998 8.998 8.720 0.278 18301 4188 1 11 . 1 1 44 44 ASN N N 44 116.079 116.079 118.461 -2.382 18301 4189 1 11 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.825 0.019 18301 4190 1 11 . 1 1 44 44 ASN C C 44 173.786 173.786 174.484 -0.698 18301 4191 1 11 . 1 1 44 44 ASN CA C 44 52.290 52.290 53.021 -0.731 18301 4192 1 11 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.354 -1.174 18301 4193 1 11 . 1 1 44 44 ASN H H 44 7.812 7.812 7.518 0.294 18301 4194 1 11 . 1 1 45 45 GLN N N 45 117.658 117.658 114.904 2.754 18301 4195 1 11 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.887 -0.286 18301 4196 1 11 . 1 1 45 45 GLN C C 45 175.314 175.314 173.724 1.590 18301 4197 1 11 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.191 -0.261 18301 4198 1 11 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.506 -0.445 18301 4199 1 11 . 1 1 45 45 GLN H H 45 7.679 7.679 7.779 -0.100 18301 4200 1 11 . 1 1 46 46 GLU N N 46 116.510 116.510 116.094 0.416 18301 4201 1 11 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.893 0.801 18301 4202 1 11 . 1 1 46 46 GLU C C 46 173.869 173.869 173.827 0.042 18301 4203 1 11 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.908 0.487 18301 4204 1 11 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.267 1.264 18301 4205 1 11 . 1 1 46 46 GLU H H 46 7.780 7.780 7.771 0.009 18301 4206 1 11 . 1 1 47 47 ALA N N 47 124.870 124.870 122.295 2.575 18301 4207 1 11 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.703 0.404 18301 4208 1 11 . 1 1 47 47 ALA C C 47 174.758 174.758 175.174 -0.416 18301 4209 1 11 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.750 -0.952 18301 4210 1 11 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.937 0.139 18301 4211 1 11 . 1 1 47 47 ALA H H 47 9.170 9.170 9.051 0.119 18301 4212 1 11 . 1 1 48 48 VAL N N 48 123.890 123.890 124.389 -0.499 18301 4213 1 11 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.764 -0.192 18301 4214 1 11 . 1 1 48 48 VAL C C 48 176.217 176.217 174.608 1.609 18301 4215 1 11 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.132 1.512 18301 4216 1 11 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.516 -0.983 18301 4217 1 11 . 1 1 48 48 VAL H H 48 8.930 8.930 9.004 -0.074 18301 4218 1 11 . 1 1 49 49 ILE N N 49 129.890 129.890 128.726 1.164 18301 4219 1 11 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.440 0.400 18301 4220 1 11 . 1 1 49 49 ILE C C 49 174.619 174.619 174.949 -0.330 18301 4221 1 11 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.639 -0.229 18301 4222 1 11 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.149 0.768 18301 4223 1 11 . 1 1 49 49 ILE H H 49 9.340 9.340 9.397 -0.057 18301 4224 1 11 . 1 1 50 50 THR N N 50 125.910 125.910 124.915 0.995 18301 4225 1 11 . 1 1 50 50 THR HA H 50 5.486 5.486 4.755 0.731 18301 4226 1 11 . 1 1 50 50 THR C C 50 174.286 174.286 173.745 0.541 18301 4227 1 11 . 1 1 50 50 THR CA C 50 61.871 61.871 62.651 -0.780 18301 4228 1 11 . 1 1 50 50 THR CB C 50 68.762 68.762 69.259 -0.497 18301 4229 1 11 . 1 1 50 50 THR H H 50 9.225 9.225 9.070 0.155 18301 4230 1 11 . 1 1 51 51 TYR N N 51 127.720 127.720 125.886 1.834 18301 4231 1 11 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.990 0.675 18301 4232 1 11 . 1 1 51 51 TYR C C 51 171.758 171.758 172.768 -1.010 18301 4233 1 11 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.617 -0.492 18301 4234 1 11 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.463 1.081 18301 4235 1 11 . 1 1 51 51 TYR H H 51 9.846 9.846 9.433 0.413 18301 4236 1 11 . 1 1 52 52 GLN N N 52 120.470 120.470 117.966 2.504 18301 4237 1 11 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.558 0.465 18301 4238 1 11 . 1 1 52 52 GLN C C 52 175.286 175.286 173.891 1.395 18301 4239 1 11 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.663 0.326 18301 4240 1 11 . 1 1 52 52 GLN H H 52 9.072 9.072 8.482 0.590 18301 4241 1 11 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.449 -0.731 18301 4242 1 11 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.128 0.275 18301 4243 1 11 . 1 1 54 54 TYR N N 54 114.650 114.650 117.540 -2.890 18301 4244 1 11 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.470 -0.069 18301 4245 1 11 . 1 1 54 54 TYR C C 54 175.689 175.689 175.235 0.454 18301 4246 1 11 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.001 -0.267 18301 4247 1 11 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.889 -1.317 18301 4248 1 11 . 1 1 54 54 TYR H H 54 8.158 8.158 8.184 -0.026 18301 4249 1 11 . 1 1 55 55 LEU N N 55 117.788 117.788 117.730 0.058 18301 4250 1 11 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.435 -0.023 18301 4251 1 11 . 1 1 55 55 LEU C C 55 175.786 175.786 176.839 -1.053 18301 4252 1 11 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.964 0.075 18301 4253 1 11 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.426 2.443 18301 4254 1 11 . 1 1 55 55 LEU H H 55 7.968 7.968 7.330 0.638 18301 4255 1 11 . 1 1 56 56 ILE N N 56 121.565 121.565 118.193 3.372 18301 4256 1 11 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.394 0.027 18301 4257 1 11 . 1 1 56 56 ILE C C 56 170.396 170.396 174.176 -3.780 18301 4258 1 11 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.238 2.117 18301 4259 1 11 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.285 -0.498 18301 4260 1 11 . 1 1 56 56 ILE H H 56 8.211 8.211 7.793 0.418 18301 4261 1 11 . 1 1 57 57 GLN N N 57 119.400 119.400 124.461 -5.061 18301 4262 1 11 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.873 0.120 18301 4263 1 11 . 1 1 57 57 GLN C C 57 175.911 175.911 174.723 1.188 18301 4264 1 11 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.821 -2.574 18301 4265 1 11 . 1 1 57 57 GLN CB C 57 29.884 29.884 28.588 1.296 18301 4266 1 11 . 1 1 57 57 GLN H H 57 7.953 7.953 8.666 -0.713 18301 4267 1 11 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.537 0.543 18301 4268 1 11 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.908 -0.108 18301 4269 1 11 . 1 1 59 59 GLU N N 59 116.700 116.700 119.381 -2.681 18301 4270 1 11 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.962 -0.385 18301 4271 1 11 . 1 1 59 59 GLU C C 59 177.634 177.634 178.502 -0.868 18301 4272 1 11 . 1 1 59 59 GLU CA C 59 61.355 61.355 60.071 1.284 18301 4273 1 11 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.742 -0.335 18301 4274 1 11 . 1 1 59 59 GLU H H 59 9.588 9.588 8.666 0.922 18301 4275 1 11 . 1 1 60 60 ASP N N 60 116.670 116.670 118.348 -1.678 18301 4276 1 11 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.416 -0.145 18301 4277 1 11 . 1 1 60 60 ASP C C 60 178.898 178.898 178.578 0.320 18301 4278 1 11 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.837 -0.950 18301 4279 1 11 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.718 0.008 18301 4280 1 11 . 1 1 60 60 ASP H H 60 6.994 6.994 8.374 -1.380 18301 4281 1 11 . 1 1 61 61 LEU N N 61 120.023 120.023 118.222 1.801 18301 4282 1 11 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.183 -0.424 18301 4283 1 11 . 1 1 61 61 LEU C C 61 177.009 177.009 178.268 -1.259 18301 4284 1 11 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.705 0.514 18301 4285 1 11 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.341 0.224 18301 4286 1 11 . 1 1 61 61 LEU H H 61 7.220 7.220 7.483 -0.263 18301 4287 1 11 . 1 1 62 62 ARG N N 62 117.758 117.758 120.053 -2.295 18301 4288 1 11 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.933 0.777 18301 4289 1 11 . 1 1 62 62 ARG C C 62 177.676 177.676 178.323 -0.647 18301 4290 1 11 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.274 0.148 18301 4291 1 11 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.456 -0.485 18301 4292 1 11 . 1 1 62 62 ARG H H 62 8.034 8.034 8.072 -0.038 18301 4293 1 11 . 1 1 63 63 ASP N N 63 119.490 119.490 118.305 1.185 18301 4294 1 11 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.439 -0.051 18301 4295 1 11 . 1 1 63 63 ASP C C 63 178.190 178.190 178.407 -0.217 18301 4296 1 11 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.327 0.334 18301 4297 1 11 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.438 -1.345 18301 4298 1 11 . 1 1 63 63 ASP H H 63 8.187 8.187 7.750 0.437 18301 4299 1 11 . 1 1 64 64 HIS N N 64 119.289 119.289 119.767 -0.478 18301 4300 1 11 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.384 -0.025 18301 4301 1 11 . 1 1 64 64 HIS C C 64 178.607 178.607 177.567 1.040 18301 4302 1 11 . 1 1 64 64 HIS CA C 64 60.324 60.324 59.279 1.045 18301 4303 1 11 . 1 1 64 64 HIS CB C 64 30.400 30.400 30.020 0.380 18301 4304 1 11 . 1 1 64 64 HIS H H 64 8.250 8.250 7.369 0.881 18301 4305 1 11 . 1 1 65 65 VAL N N 65 119.590 119.590 118.462 1.128 18301 4306 1 11 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.672 0.050 18301 4307 1 11 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.633 0.307 18301 4308 1 11 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.820 -0.007 18301 4309 1 11 . 1 1 65 65 VAL H H 65 7.638 7.638 7.677 -0.039 18301 4310 1 11 . 1 1 66 66 ASN N N 66 121.680 121.680 118.656 3.024 18301 4311 1 11 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.464 0.686 18301 4312 1 11 . 1 1 66 66 ASN C C 66 180.454 180.454 176.943 3.511 18301 4313 1 11 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.934 -0.251 18301 4314 1 11 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.274 -0.288 18301 4315 1 11 . 1 1 66 66 ASN H H 66 8.461 8.461 7.854 0.607 18301 4316 1 11 . 1 1 67 67 ASP N N 67 120.750 120.750 119.799 0.951 18301 4317 1 11 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.390 0.050 18301 4318 1 11 . 1 1 67 67 ASP C C 67 177.537 177.537 177.476 0.061 18301 4319 1 11 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.550 0.078 18301 4320 1 11 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.438 0.045 18301 4321 1 11 . 1 1 67 67 ASP H H 67 8.385 8.385 8.440 -0.055 18301 4322 1 11 . 1 1 68 68 MET N N 68 116.510 116.510 115.496 1.014 18301 4323 1 11 . 1 1 68 68 MET HA H 68 4.287 4.287 4.417 -0.130 18301 4324 1 11 . 1 1 68 68 MET C C 68 176.064 176.064 177.070 -1.006 18301 4325 1 11 . 1 1 68 68 MET CA C 68 56.672 56.672 55.309 1.363 18301 4326 1 11 . 1 1 68 68 MET CB C 68 33.933 33.933 32.982 0.951 18301 4327 1 11 . 1 1 68 68 MET H H 68 7.680 7.680 7.654 0.026 18301 4328 1 11 . 1 1 69 69 GLY N N 69 105.290 105.290 106.575 -1.285 18301 4329 1 11 . 1 1 69 69 GLY C C 69 173.640 173.640 173.933 -0.293 18301 4330 1 11 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.201 -0.445 18301 4331 1 11 . 1 1 69 69 GLY H H 69 8.049 8.049 8.145 -0.096 18301 4332 1 11 . 1 1 70 70 PHE N N 70 118.850 118.850 119.058 -0.208 18301 4333 1 11 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.672 0.064 18301 4334 1 11 . 1 1 70 70 PHE C C 70 172.772 172.772 176.046 -3.274 18301 4335 1 11 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.444 0.415 18301 4336 1 11 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.089 0.481 18301 4337 1 11 . 1 1 70 70 PHE H H 70 6.689 6.689 7.599 -0.910 18301 4338 1 11 . 1 1 71 71 GLU N N 71 118.550 118.550 119.542 -0.992 18301 4339 1 11 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.385 0.325 18301 4340 1 11 . 1 1 71 71 GLU C C 71 175.370 175.370 175.734 -0.364 18301 4341 1 11 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.503 0.396 18301 4342 1 11 . 1 1 71 71 GLU CB C 71 30.709 30.709 30.104 0.605 18301 4343 1 11 . 1 1 71 71 GLU H H 71 8.030 8.030 8.873 -0.843 18301 4344 1 11 . 1 1 72 72 ALA N N 72 129.745 129.745 122.020 7.725 18301 4345 1 11 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.285 1.631 18301 4346 1 11 . 1 1 72 72 ALA C C 72 176.245 176.245 176.877 -0.632 18301 4347 1 11 . 1 1 72 72 ALA CA C 72 49.669 49.669 52.632 -2.963 18301 4348 1 11 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.436 3.058 18301 4349 1 11 . 1 1 72 72 ALA H H 72 9.580 9.580 7.769 1.811 18301 4350 1 11 . 1 1 73 73 ALA N N 73 121.581 121.581 126.065 -4.484 18301 4351 1 11 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.656 -0.135 18301 4352 1 11 . 1 1 73 73 ALA C C 73 176.162 176.162 175.574 0.588 18301 4353 1 11 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.070 0.673 18301 4354 1 11 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.973 0.656 18301 4355 1 11 . 1 1 73 73 ALA H H 73 8.633 8.633 7.913 0.720 18301 4356 1 11 . 1 1 74 74 ILE N N 74 123.360 123.360 121.722 1.638 18301 4357 1 11 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.745 0.249 18301 4358 1 11 . 1 1 74 74 ILE C C 74 176.217 176.217 176.671 -0.454 18301 4359 1 11 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.670 0.661 18301 4360 1 11 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.617 0.694 18301 4361 1 11 . 1 1 74 74 ILE H H 74 8.962 8.962 8.484 0.478 18301 4362 1 11 . 1 1 75 75 LYS N N 75 130.310 130.310 128.950 1.360 18301 4363 1 11 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.989 0.564 18301 4364 1 11 . 1 1 75 75 LYS C C 75 175.217 175.217 176.572 -1.355 18301 4365 1 11 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.520 -2.063 18301 4366 1 11 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.930 0.342 18301 4367 1 11 . 1 1 75 75 LYS H H 75 8.842 8.842 8.551 0.291 18301 4368 1 12 . 1 1 4 4 MET N N 4 121.245 121.245 117.094 4.151 18301 4369 1 12 . 1 1 4 4 MET HA H 4 4.302 4.302 4.143 0.159 18301 4370 1 12 . 1 1 4 4 MET C C 4 175.828 175.828 175.996 -0.168 18301 4371 1 12 . 1 1 4 4 MET CA C 4 56.414 56.414 55.733 0.681 18301 4372 1 12 . 1 1 4 4 MET CB C 4 32.361 32.361 31.107 1.254 18301 4373 1 12 . 1 1 4 4 MET H H 4 8.363 8.363 8.111 0.252 18301 4374 1 12 . 1 1 5 5 GLN N N 5 121.670 121.670 116.144 5.526 18301 4375 1 12 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.278 -0.028 18301 4376 1 12 . 1 1 5 5 GLN C C 5 175.245 175.245 175.689 -0.444 18301 4377 1 12 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.939 -0.439 18301 4378 1 12 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.232 0.087 18301 4379 1 12 . 1 1 5 5 GLN H H 5 8.266 8.266 8.601 -0.335 18301 4380 1 12 . 1 1 6 6 GLU N N 6 120.500 120.500 119.138 1.362 18301 4381 1 12 . 1 1 6 6 GLU HA H 6 4.777 4.777 3.968 0.809 18301 4382 1 12 . 1 1 6 6 GLU C C 6 174.619 174.619 175.418 -0.799 18301 4383 1 12 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.242 -1.202 18301 4384 1 12 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.792 2.872 18301 4385 1 12 . 1 1 6 6 GLU H H 6 8.238 8.238 7.869 0.369 18301 4386 1 12 . 1 1 7 7 ALA N N 7 125.790 125.790 126.831 -1.041 18301 4387 1 12 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.597 -0.035 18301 4388 1 12 . 1 1 7 7 ALA C C 7 173.633 173.633 175.487 -1.854 18301 4389 1 12 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.984 -0.714 18301 4390 1 12 . 1 1 7 7 ALA CB C 7 22.412 22.412 20.648 1.764 18301 4391 1 12 . 1 1 7 7 ALA H H 7 8.838 8.838 8.068 0.770 18301 4392 1 12 . 1 1 8 8 VAL N N 8 117.770 117.770 121.386 -3.616 18301 4393 1 12 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.076 0.290 18301 4394 1 12 . 1 1 8 8 VAL C C 8 176.717 176.717 175.370 1.347 18301 4395 1 12 . 1 1 8 8 VAL CA C 8 60.582 60.582 61.145 -0.562 18301 4396 1 12 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.997 -0.074 18301 4397 1 12 . 1 1 8 8 VAL H H 8 8.340 8.340 8.340 0.000 18301 4398 1 12 . 1 1 9 9 VAL N N 9 128.140 128.140 126.451 1.689 18301 4399 1 12 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.508 0.317 18301 4400 1 12 . 1 1 9 9 VAL C C 9 170.910 170.910 173.786 -2.876 18301 4401 1 12 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.637 -0.516 18301 4402 1 12 . 1 1 9 9 VAL CB C 9 34.879 34.879 35.590 -0.710 18301 4403 1 12 . 1 1 9 9 VAL H H 9 9.560 9.560 9.288 0.272 18301 4404 1 12 . 1 1 10 10 LYS N N 10 126.441 126.441 128.113 -1.672 18301 4405 1 12 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.014 0.382 18301 4406 1 12 . 1 1 10 10 LYS C C 10 175.078 175.078 174.935 0.143 18301 4407 1 12 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.285 0.110 18301 4408 1 12 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.406 0.778 18301 4409 1 12 . 1 1 10 10 LYS H H 10 8.821 8.821 8.375 0.446 18301 4410 1 12 . 1 1 11 11 LEU N N 11 119.930 119.930 123.764 -3.834 18301 4411 1 12 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.772 0.599 18301 4412 1 12 . 1 1 11 11 LEU C C 11 177.801 177.801 175.530 2.271 18301 4413 1 12 . 1 1 11 11 LEU CA C 11 51.903 51.903 54.057 -2.154 18301 4414 1 12 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.624 -2.710 18301 4415 1 12 . 1 1 11 11 LEU H H 11 9.277 9.277 9.101 0.176 18301 4416 1 12 . 1 1 12 12 ARG N N 12 125.200 125.200 121.782 3.418 18301 4417 1 12 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.491 0.413 18301 4418 1 12 . 1 1 12 12 ARG C C 12 175.773 175.773 175.198 0.575 18301 4419 1 12 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.666 -0.025 18301 4420 1 12 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.129 -0.116 18301 4421 1 12 . 1 1 12 12 ARG H H 12 9.300 9.300 8.203 1.097 18301 4422 1 12 . 1 1 13 13 VAL N N 13 126.780 126.780 127.521 -0.741 18301 4423 1 12 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.155 0.356 18301 4424 1 12 . 1 1 13 13 VAL C C 13 174.564 174.564 175.431 -0.867 18301 4425 1 12 . 1 1 13 13 VAL CA C 13 61.785 61.785 63.041 -1.256 18301 4426 1 12 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.473 1.233 18301 4427 1 12 . 1 1 13 13 VAL H H 13 8.110 8.110 8.106 0.004 18301 4428 1 12 . 1 1 14 14 GLU N N 14 126.510 126.510 126.465 0.045 18301 4429 1 12 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.449 0.216 18301 4430 1 12 . 1 1 14 14 GLU C C 14 176.426 176.426 177.378 -0.952 18301 4431 1 12 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.332 -0.949 18301 4432 1 12 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.538 1.083 18301 4433 1 12 . 1 1 14 14 GLU H H 14 9.100 9.100 8.859 0.241 18301 4434 1 12 . 1 1 15 15 GLY N N 15 108.020 108.020 107.237 0.783 18301 4435 1 12 . 1 1 15 15 GLY C C 15 175.884 175.884 174.175 1.709 18301 4436 1 12 . 1 1 15 15 GLY CA C 15 44.900 44.900 44.620 0.280 18301 4437 1 12 . 1 1 15 15 GLY H H 15 8.680 8.680 8.042 0.638 18301 4438 1 12 . 1 1 16 16 MET N N 16 120.590 120.590 119.674 0.916 18301 4439 1 12 . 1 1 16 16 MET HA H 16 4.880 4.880 4.558 0.322 18301 4440 1 12 . 1 1 16 16 MET C C 16 177.342 177.342 175.528 1.814 18301 4441 1 12 . 1 1 16 16 MET CA C 16 56.672 56.672 56.640 0.032 18301 4442 1 12 . 1 1 16 16 MET H H 16 9.033 9.033 7.885 1.148 18301 4443 1 12 . 1 1 17 17 THR N N 17 123.321 123.321 118.981 4.340 18301 4444 1 12 . 1 1 17 17 THR C C 17 176.231 176.231 174.123 2.108 18301 4445 1 12 . 1 1 17 17 THR CA C 17 57.114 57.114 61.077 -3.963 18301 4446 1 12 . 1 1 17 17 THR H H 17 8.591 8.591 8.114 0.477 18301 4447 1 12 . 1 1 18 18 CYS N N 18 120.560 120.560 119.880 0.680 18301 4448 1 12 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.603 0.457 18301 4449 1 12 . 1 1 18 18 CYS C C 18 174.467 174.467 175.055 -0.588 18301 4450 1 12 . 1 1 18 18 CYS CA C 18 57.500 57.500 59.038 -1.538 18301 4451 1 12 . 1 1 18 18 CYS CB C 18 30.996 30.996 27.596 3.401 18301 4452 1 12 . 1 1 18 18 CYS H H 18 8.809 8.809 8.558 0.251 18301 4453 1 12 . 1 1 20 20 SER N N 20 123.434 123.434 112.780 10.654 18301 4454 1 12 . 1 1 20 20 SER HA H 20 4.461 4.461 4.086 0.375 18301 4455 1 12 . 1 1 20 20 SER C C 20 177.009 177.009 174.919 2.090 18301 4456 1 12 . 1 1 20 20 SER CA C 20 62.214 62.214 59.192 3.022 18301 4457 1 12 . 1 1 20 20 SER H H 20 8.297 8.297 8.350 -0.053 18301 4458 1 12 . 1 1 21 21 CYS N N 21 125.740 125.740 118.638 7.102 18301 4459 1 12 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.230 -0.170 18301 4460 1 12 . 1 1 21 21 CYS C C 21 177.495 177.495 176.302 1.193 18301 4461 1 12 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.355 2.191 18301 4462 1 12 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.499 1.301 18301 4463 1 12 . 1 1 21 21 CYS H H 21 7.861 7.861 8.691 -0.830 18301 4464 1 12 . 1 1 22 22 VAL N N 22 118.130 118.130 119.804 -1.674 18301 4465 1 12 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.485 -0.275 18301 4466 1 12 . 1 1 22 22 VAL C C 22 177.843 177.843 177.746 0.097 18301 4467 1 12 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.561 -0.136 18301 4468 1 12 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.488 0.046 18301 4469 1 12 . 1 1 22 22 VAL H H 22 6.860 6.860 7.892 -1.032 18301 4470 1 12 . 1 1 23 23 SER N N 23 112.820 112.820 113.998 -1.178 18301 4471 1 12 . 1 1 23 23 SER HA H 23 4.220 4.220 4.130 0.090 18301 4472 1 12 . 1 1 23 23 SER C C 23 178.162 178.162 176.789 1.373 18301 4473 1 12 . 1 1 23 23 SER CA C 23 61.398 61.398 61.875 -0.477 18301 4474 1 12 . 1 1 23 23 SER CB C 23 62.550 62.550 62.681 -0.131 18301 4475 1 12 . 1 1 23 23 SER H H 23 8.341 8.341 7.812 0.529 18301 4476 1 12 . 1 1 24 24 SER N N 24 119.341 119.341 117.318 2.023 18301 4477 1 12 . 1 1 24 24 SER HA H 24 4.859 4.859 4.281 0.578 18301 4478 1 12 . 1 1 24 24 SER C C 24 176.856 176.856 176.778 0.078 18301 4479 1 12 . 1 1 24 24 SER CA C 24 61.570 61.570 61.322 0.248 18301 4480 1 12 . 1 1 24 24 SER CB C 24 62.506 62.506 63.121 -0.615 18301 4481 1 12 . 1 1 24 24 SER H H 24 8.286 8.286 7.693 0.593 18301 4482 1 12 . 1 1 25 25 ILE N N 25 122.340 122.340 121.966 0.374 18301 4483 1 12 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.873 -0.281 18301 4484 1 12 . 1 1 25 25 ILE C C 25 177.912 177.912 177.960 -0.048 18301 4485 1 12 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.353 1.685 18301 4486 1 12 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.490 0.995 18301 4487 1 12 . 1 1 25 25 ILE H H 25 8.057 8.057 7.752 0.305 18301 4488 1 12 . 1 1 26 26 GLU N N 26 117.081 117.081 120.056 -2.975 18301 4489 1 12 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.025 -0.470 18301 4490 1 12 . 1 1 26 26 GLU C C 26 178.523 178.523 179.467 -0.944 18301 4491 1 12 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.242 1.383 18301 4492 1 12 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.423 0.398 18301 4493 1 12 . 1 1 26 26 GLU H H 26 8.504 8.504 7.892 0.612 18301 4494 1 12 . 1 1 27 27 GLY N N 27 102.731 102.731 107.225 -4.494 18301 4495 1 12 . 1 1 27 27 GLY C C 27 175.925 175.925 176.336 -0.411 18301 4496 1 12 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.538 0.295 18301 4497 1 12 . 1 1 27 27 GLY H H 27 8.231 8.231 7.929 0.302 18301 4498 1 12 . 1 1 28 28 LYS N N 28 119.316 119.316 122.319 -3.003 18301 4499 1 12 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.107 0.003 18301 4500 1 12 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.520 0.509 18301 4501 1 12 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.252 0.664 18301 4502 1 12 . 1 1 28 28 LYS H H 28 7.640 7.640 7.412 0.228 18301 4503 1 12 . 1 1 29 29 VAL N N 29 118.845 118.845 119.271 -0.426 18301 4504 1 12 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.728 -0.278 18301 4505 1 12 . 1 1 29 29 VAL C C 29 177.259 177.259 177.071 0.188 18301 4506 1 12 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.390 0.347 18301 4507 1 12 . 1 1 29 29 VAL CB C 29 31.317 31.317 32.078 -0.761 18301 4508 1 12 . 1 1 29 29 VAL H H 29 8.577 8.577 7.609 0.968 18301 4509 1 12 . 1 1 30 30 ARG N N 30 115.480 115.480 117.494 -2.014 18301 4510 1 12 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.118 -0.298 18301 4511 1 12 . 1 1 30 30 ARG C C 30 176.717 176.717 177.364 -0.647 18301 4512 1 12 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.377 0.271 18301 4513 1 12 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.264 -0.163 18301 4514 1 12 . 1 1 30 30 ARG H H 30 8.083 8.083 7.597 0.486 18301 4515 1 12 . 1 1 31 31 LYS N N 31 114.395 114.395 116.489 -2.094 18301 4516 1 12 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.258 -0.067 18301 4517 1 12 . 1 1 31 31 LYS C C 31 176.870 176.870 176.562 0.308 18301 4518 1 12 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.607 0.635 18301 4519 1 12 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.837 0.087 18301 4520 1 12 . 1 1 31 31 LYS H H 31 6.757 6.757 7.842 -1.085 18301 4521 1 12 . 1 1 32 32 LEU N N 32 121.290 121.290 121.328 -0.038 18301 4522 1 12 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.117 -0.022 18301 4523 1 12 . 1 1 32 32 LEU C C 32 177.398 177.398 177.555 -0.157 18301 4524 1 12 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.431 0.222 18301 4525 1 12 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.800 -0.492 18301 4526 1 12 . 1 1 32 32 LEU H H 32 7.386 7.386 7.126 0.260 18301 4527 1 12 . 1 1 33 33 GLN N N 33 124.330 124.330 122.781 1.549 18301 4528 1 12 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.247 -0.157 18301 4529 1 12 . 1 1 33 33 GLN C C 33 175.661 175.661 176.619 -0.958 18301 4530 1 12 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.203 -0.308 18301 4531 1 12 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.780 -0.703 18301 4532 1 12 . 1 1 33 33 GLN H H 33 8.650 8.650 8.487 0.163 18301 4533 1 12 . 1 1 34 34 GLY N N 34 109.990 109.990 108.137 1.853 18301 4534 1 12 . 1 1 34 34 GLY C C 34 173.911 173.911 175.012 -1.101 18301 4535 1 12 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.745 0.799 18301 4536 1 12 . 1 1 34 34 GLY H H 34 8.759 8.759 7.903 0.856 18301 4537 1 12 . 1 1 35 35 VAL N N 35 119.540 119.540 121.552 -2.012 18301 4538 1 12 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.883 -0.033 18301 4539 1 12 . 1 1 35 35 VAL C C 35 175.759 175.759 176.296 -0.537 18301 4540 1 12 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.951 -0.148 18301 4541 1 12 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.633 -1.207 18301 4542 1 12 . 1 1 35 35 VAL H H 35 7.600 7.600 7.946 -0.346 18301 4543 1 12 . 1 1 36 36 VAL N N 36 130.030 130.030 126.424 3.606 18301 4544 1 12 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.171 -0.259 18301 4545 1 12 . 1 1 36 36 VAL C C 36 176.023 176.023 175.694 0.329 18301 4546 1 12 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.564 0.636 18301 4547 1 12 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.711 0.969 18301 4548 1 12 . 1 1 36 36 VAL H H 36 9.141 9.141 8.868 0.273 18301 4549 1 12 . 1 1 37 37 ARG N N 37 116.750 116.750 116.212 0.538 18301 4550 1 12 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.488 0.153 18301 4551 1 12 . 1 1 37 37 ARG C C 37 173.230 173.230 173.310 -0.080 18301 4552 1 12 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.180 0.401 18301 4553 1 12 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.652 -0.715 18301 4554 1 12 . 1 1 37 37 ARG H H 37 7.859 7.859 7.785 0.074 18301 4555 1 12 . 1 1 38 38 VAL N N 38 119.900 119.900 122.190 -2.290 18301 4556 1 12 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.658 0.321 18301 4557 1 12 . 1 1 38 38 VAL C C 38 171.841 171.841 174.768 -2.927 18301 4558 1 12 . 1 1 38 38 VAL CA C 38 59.637 59.637 61.367 -1.730 18301 4559 1 12 . 1 1 38 38 VAL CB C 38 33.359 33.359 33.847 -0.488 18301 4560 1 12 . 1 1 38 38 VAL H H 38 8.785 8.785 8.520 0.265 18301 4561 1 12 . 1 1 39 39 LYS N N 39 126.750 126.750 128.681 -1.931 18301 4562 1 12 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.638 0.172 18301 4563 1 12 . 1 1 39 39 LYS C C 39 175.634 175.634 174.535 1.099 18301 4564 1 12 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.321 0.117 18301 4565 1 12 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.356 1.001 18301 4566 1 12 . 1 1 39 39 LYS H H 39 8.360 8.360 8.585 -0.225 18301 4567 1 12 . 1 1 40 40 VAL N N 40 131.410 131.410 124.492 6.918 18301 4568 1 12 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.322 0.465 18301 4569 1 12 . 1 1 40 40 VAL C C 40 173.522 173.522 175.450 -1.928 18301 4570 1 12 . 1 1 40 40 VAL CA C 40 60.968 60.968 60.539 0.429 18301 4571 1 12 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.409 -1.006 18301 4572 1 12 . 1 1 40 40 VAL H H 40 10.183 10.183 8.503 1.680 18301 4573 1 12 . 1 1 41 41 SER N N 41 120.470 120.470 121.441 -0.971 18301 4574 1 12 . 1 1 41 41 SER HA H 41 4.852 4.852 4.821 0.031 18301 4575 1 12 . 1 1 41 41 SER C C 41 175.217 175.217 174.956 0.261 18301 4576 1 12 . 1 1 41 41 SER CA C 41 55.039 55.039 55.560 -0.521 18301 4577 1 12 . 1 1 41 41 SER CB C 41 64.710 64.710 63.022 1.688 18301 4578 1 12 . 1 1 41 41 SER H H 41 8.868 8.868 8.237 0.631 18301 4579 1 12 . 1 1 42 42 LEU N N 42 130.390 130.390 126.427 3.963 18301 4580 1 12 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.634 0.176 18301 4581 1 12 . 1 1 42 42 LEU C C 42 179.982 179.982 177.771 2.211 18301 4582 1 12 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.771 1.104 18301 4583 1 12 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.728 0.302 18301 4584 1 12 . 1 1 42 42 LEU H H 42 8.998 8.998 8.797 0.201 18301 4585 1 12 . 1 1 44 44 ASN N N 44 116.079 116.079 118.031 -1.952 18301 4586 1 12 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.880 -0.036 18301 4587 1 12 . 1 1 44 44 ASN C C 44 173.786 173.786 174.125 -0.339 18301 4588 1 12 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.603 -0.313 18301 4589 1 12 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.361 -1.181 18301 4590 1 12 . 1 1 44 44 ASN H H 44 7.812 7.812 7.464 0.348 18301 4591 1 12 . 1 1 45 45 GLN N N 45 117.658 117.658 113.503 4.155 18301 4592 1 12 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.904 -0.303 18301 4593 1 12 . 1 1 45 45 GLN C C 45 175.314 175.314 173.913 1.401 18301 4594 1 12 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.200 -0.270 18301 4595 1 12 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.229 -0.168 18301 4596 1 12 . 1 1 45 45 GLN H H 45 7.679 7.679 7.779 -0.100 18301 4597 1 12 . 1 1 46 46 GLU N N 46 116.510 116.510 116.294 0.216 18301 4598 1 12 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.957 0.737 18301 4599 1 12 . 1 1 46 46 GLU C C 46 173.869 173.869 173.893 -0.024 18301 4600 1 12 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.943 0.452 18301 4601 1 12 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.257 1.274 18301 4602 1 12 . 1 1 46 46 GLU H H 46 7.780 7.780 7.826 -0.046 18301 4603 1 12 . 1 1 47 47 ALA N N 47 124.870 124.870 121.923 2.947 18301 4604 1 12 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.618 0.489 18301 4605 1 12 . 1 1 47 47 ALA C C 47 174.758 174.758 174.976 -0.218 18301 4606 1 12 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.910 -1.113 18301 4607 1 12 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.707 0.369 18301 4608 1 12 . 1 1 47 47 ALA H H 47 9.170 9.170 9.120 0.050 18301 4609 1 12 . 1 1 48 48 VAL N N 48 123.890 123.890 124.691 -0.801 18301 4610 1 12 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.750 -0.178 18301 4611 1 12 . 1 1 48 48 VAL C C 48 176.217 176.217 174.924 1.293 18301 4612 1 12 . 1 1 48 48 VAL CA C 48 62.644 62.644 60.577 2.067 18301 4613 1 12 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.321 -0.787 18301 4614 1 12 . 1 1 48 48 VAL H H 48 8.930 8.930 8.920 0.010 18301 4615 1 12 . 1 1 49 49 ILE N N 49 129.890 129.890 128.451 1.439 18301 4616 1 12 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.444 0.396 18301 4617 1 12 . 1 1 49 49 ILE C C 49 174.619 174.619 175.043 -0.424 18301 4618 1 12 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.540 -0.130 18301 4619 1 12 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.296 0.621 18301 4620 1 12 . 1 1 49 49 ILE H H 49 9.340 9.340 9.337 0.003 18301 4621 1 12 . 1 1 50 50 THR N N 50 125.910 125.910 124.715 1.195 18301 4622 1 12 . 1 1 50 50 THR HA H 50 5.486 5.486 4.823 0.663 18301 4623 1 12 . 1 1 50 50 THR C C 50 174.286 174.286 173.907 0.379 18301 4624 1 12 . 1 1 50 50 THR CA C 50 61.871 61.871 62.538 -0.666 18301 4625 1 12 . 1 1 50 50 THR CB C 50 68.762 68.762 69.310 -0.548 18301 4626 1 12 . 1 1 50 50 THR H H 50 9.225 9.225 9.093 0.132 18301 4627 1 12 . 1 1 51 51 TYR N N 51 127.720 127.720 125.491 2.229 18301 4628 1 12 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.012 0.653 18301 4629 1 12 . 1 1 51 51 TYR C C 51 171.758 171.758 172.763 -1.005 18301 4630 1 12 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.402 -0.277 18301 4631 1 12 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.170 1.374 18301 4632 1 12 . 1 1 51 51 TYR H H 51 9.846 9.846 9.589 0.257 18301 4633 1 12 . 1 1 52 52 GLN N N 52 120.470 120.470 117.720 2.750 18301 4634 1 12 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.306 0.717 18301 4635 1 12 . 1 1 52 52 GLN C C 52 175.286 175.286 173.595 1.691 18301 4636 1 12 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.829 0.160 18301 4637 1 12 . 1 1 52 52 GLN H H 52 9.072 9.072 8.425 0.647 18301 4638 1 12 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.331 -0.613 18301 4639 1 12 . 1 1 53 53 PRO CB C 53 32.403 32.403 31.719 0.684 18301 4640 1 12 . 1 1 54 54 TYR N N 54 114.650 114.650 113.573 1.077 18301 4641 1 12 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.593 -0.192 18301 4642 1 12 . 1 1 54 54 TYR C C 54 175.689 175.689 175.837 -0.148 18301 4643 1 12 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.127 0.607 18301 4644 1 12 . 1 1 54 54 TYR CB C 54 37.572 37.572 37.192 0.380 18301 4645 1 12 . 1 1 54 54 TYR H H 54 8.158 8.158 7.132 1.026 18301 4646 1 12 . 1 1 55 55 LEU N N 55 117.788 117.788 118.334 -0.546 18301 4647 1 12 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.463 -0.051 18301 4648 1 12 . 1 1 55 55 LEU C C 55 175.786 175.786 176.749 -0.963 18301 4649 1 12 . 1 1 55 55 LEU CA C 55 55.039 55.039 55.193 -0.154 18301 4650 1 12 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.272 2.597 18301 4651 1 12 . 1 1 55 55 LEU H H 55 7.968 7.968 7.102 0.866 18301 4652 1 12 . 1 1 56 56 ILE N N 56 121.565 121.565 117.158 4.407 18301 4653 1 12 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.360 0.061 18301 4654 1 12 . 1 1 56 56 ILE C C 56 170.396 170.396 174.075 -3.679 18301 4655 1 12 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.085 2.270 18301 4656 1 12 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.736 -0.949 18301 4657 1 12 . 1 1 56 56 ILE H H 56 8.211 8.211 7.860 0.351 18301 4658 1 12 . 1 1 57 57 GLN N N 57 119.400 119.400 125.388 -5.988 18301 4659 1 12 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.765 0.228 18301 4660 1 12 . 1 1 57 57 GLN C C 57 175.911 175.911 174.971 0.940 18301 4661 1 12 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.911 -2.664 18301 4662 1 12 . 1 1 57 57 GLN CB C 57 29.884 29.884 28.561 1.323 18301 4663 1 12 . 1 1 57 57 GLN H H 57 7.953 7.953 8.734 -0.781 18301 4664 1 12 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.709 0.371 18301 4665 1 12 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.954 -0.154 18301 4666 1 12 . 1 1 59 59 GLU N N 59 116.700 116.700 118.342 -1.642 18301 4667 1 12 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.970 -0.393 18301 4668 1 12 . 1 1 59 59 GLU C C 59 177.634 177.634 178.135 -0.501 18301 4669 1 12 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.941 1.413 18301 4670 1 12 . 1 1 59 59 GLU CB C 59 28.407 28.407 29.021 -0.614 18301 4671 1 12 . 1 1 59 59 GLU H H 59 9.588 9.588 8.561 1.027 18301 4672 1 12 . 1 1 60 60 ASP N N 60 116.670 116.670 118.205 -1.535 18301 4673 1 12 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.427 -0.156 18301 4674 1 12 . 1 1 60 60 ASP C C 60 178.898 178.898 178.669 0.229 18301 4675 1 12 . 1 1 60 60 ASP CA C 60 56.887 56.887 56.829 0.058 18301 4676 1 12 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.521 0.205 18301 4677 1 12 . 1 1 60 60 ASP H H 60 6.994 6.994 8.311 -1.317 18301 4678 1 12 . 1 1 61 61 LEU N N 61 120.023 120.023 118.421 1.602 18301 4679 1 12 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.202 -0.443 18301 4680 1 12 . 1 1 61 61 LEU C C 61 177.009 177.009 178.326 -1.317 18301 4681 1 12 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.264 0.955 18301 4682 1 12 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.282 0.283 18301 4683 1 12 . 1 1 61 61 LEU H H 61 7.220 7.220 7.445 -0.225 18301 4684 1 12 . 1 1 62 62 ARG N N 62 117.758 117.758 119.558 -1.800 18301 4685 1 12 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.845 0.865 18301 4686 1 12 . 1 1 62 62 ARG C C 62 177.676 177.676 177.907 -0.231 18301 4687 1 12 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.857 -0.435 18301 4688 1 12 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.654 -0.683 18301 4689 1 12 . 1 1 62 62 ARG H H 62 8.034 8.034 7.711 0.323 18301 4690 1 12 . 1 1 63 63 ASP N N 63 119.490 119.490 117.989 1.501 18301 4691 1 12 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.418 -0.030 18301 4692 1 12 . 1 1 63 63 ASP C C 63 178.190 178.190 177.941 0.249 18301 4693 1 12 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.266 0.394 18301 4694 1 12 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.786 -1.693 18301 4695 1 12 . 1 1 63 63 ASP H H 63 8.187 8.187 7.862 0.325 18301 4696 1 12 . 1 1 64 64 HIS N N 64 119.289 119.289 118.852 0.437 18301 4697 1 12 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.257 0.102 18301 4698 1 12 . 1 1 64 64 HIS C C 64 178.607 178.607 177.055 1.552 18301 4699 1 12 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.923 1.401 18301 4700 1 12 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.980 0.420 18301 4701 1 12 . 1 1 64 64 HIS H H 64 8.250 8.250 7.415 0.835 18301 4702 1 12 . 1 1 65 65 VAL N N 65 119.590 119.590 118.996 0.594 18301 4703 1 12 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.297 0.425 18301 4704 1 12 . 1 1 65 65 VAL CA C 65 66.940 66.940 65.491 1.449 18301 4705 1 12 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.163 0.650 18301 4706 1 12 . 1 1 65 65 VAL H H 65 7.638 7.638 7.623 0.015 18301 4707 1 12 . 1 1 66 66 ASN N N 66 121.680 121.680 118.208 3.472 18301 4708 1 12 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.499 0.651 18301 4709 1 12 . 1 1 66 66 ASN C C 66 180.454 180.454 177.413 3.041 18301 4710 1 12 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.430 0.253 18301 4711 1 12 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.359 -0.373 18301 4712 1 12 . 1 1 66 66 ASN H H 66 8.461 8.461 7.684 0.777 18301 4713 1 12 . 1 1 67 67 ASP N N 67 120.750 120.750 120.332 0.418 18301 4714 1 12 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.536 -0.096 18301 4715 1 12 . 1 1 67 67 ASP C C 67 177.537 177.537 177.360 0.177 18301 4716 1 12 . 1 1 67 67 ASP CA C 67 56.628 56.628 55.869 0.759 18301 4717 1 12 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.529 -0.045 18301 4718 1 12 . 1 1 67 67 ASP H H 67 8.385 8.385 8.135 0.250 18301 4719 1 12 . 1 1 68 68 MET N N 68 116.510 116.510 116.753 -0.243 18301 4720 1 12 . 1 1 68 68 MET HA H 68 4.287 4.287 4.478 -0.191 18301 4721 1 12 . 1 1 68 68 MET C C 68 176.064 176.064 177.285 -1.221 18301 4722 1 12 . 1 1 68 68 MET CA C 68 56.672 56.672 55.976 0.696 18301 4723 1 12 . 1 1 68 68 MET CB C 68 33.933 33.933 33.282 0.651 18301 4724 1 12 . 1 1 68 68 MET H H 68 7.680 7.680 7.434 0.246 18301 4725 1 12 . 1 1 69 69 GLY N N 69 105.290 105.290 108.536 -3.246 18301 4726 1 12 . 1 1 69 69 GLY C C 69 173.640 173.640 173.682 -0.042 18301 4727 1 12 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.398 -0.642 18301 4728 1 12 . 1 1 69 69 GLY H H 69 8.049 8.049 8.005 0.044 18301 4729 1 12 . 1 1 70 70 PHE N N 70 118.850 118.850 118.127 0.723 18301 4730 1 12 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.666 0.070 18301 4731 1 12 . 1 1 70 70 PHE C C 70 172.772 172.772 175.871 -3.099 18301 4732 1 12 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.586 1.273 18301 4733 1 12 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.369 0.201 18301 4734 1 12 . 1 1 70 70 PHE H H 70 6.689 6.689 7.574 -0.885 18301 4735 1 12 . 1 1 71 71 GLU N N 71 118.550 118.550 120.189 -1.639 18301 4736 1 12 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.320 0.390 18301 4737 1 12 . 1 1 71 71 GLU C C 71 175.370 175.370 176.160 -0.790 18301 4738 1 12 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.173 0.726 18301 4739 1 12 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.595 1.114 18301 4740 1 12 . 1 1 71 71 GLU H H 71 8.030 8.030 8.827 -0.797 18301 4741 1 12 . 1 1 72 72 ALA N N 72 129.745 129.745 122.039 7.706 18301 4742 1 12 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.233 1.683 18301 4743 1 12 . 1 1 72 72 ALA C C 72 176.245 176.245 176.605 -0.360 18301 4744 1 12 . 1 1 72 72 ALA CA C 72 49.669 49.669 53.010 -3.341 18301 4745 1 12 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.276 3.219 18301 4746 1 12 . 1 1 72 72 ALA H H 72 9.580 9.580 7.801 1.779 18301 4747 1 12 . 1 1 73 73 ALA N N 73 121.581 121.581 126.268 -4.687 18301 4748 1 12 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.736 -0.215 18301 4749 1 12 . 1 1 73 73 ALA C C 73 176.162 176.162 175.621 0.541 18301 4750 1 12 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.543 0.200 18301 4751 1 12 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.640 -0.011 18301 4752 1 12 . 1 1 73 73 ALA H H 73 8.633 8.633 8.171 0.462 18301 4753 1 12 . 1 1 74 74 ILE N N 74 123.360 123.360 121.290 2.070 18301 4754 1 12 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.816 0.178 18301 4755 1 12 . 1 1 74 74 ILE C C 74 176.217 176.217 176.689 -0.472 18301 4756 1 12 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.524 0.807 18301 4757 1 12 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.518 0.793 18301 4758 1 12 . 1 1 74 74 ILE H H 74 8.962 8.962 8.549 0.413 18301 4759 1 12 . 1 1 75 75 LYS N N 75 130.310 130.310 129.427 0.883 18301 4760 1 12 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.946 0.607 18301 4761 1 12 . 1 1 75 75 LYS C C 75 175.217 175.217 176.960 -1.743 18301 4762 1 12 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.991 -2.534 18301 4763 1 12 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.721 0.551 18301 4764 1 12 . 1 1 75 75 LYS H H 75 8.842 8.842 8.812 0.030 18301 4765 1 13 . 1 1 4 4 MET N N 4 121.245 121.245 116.180 5.065 18301 4766 1 13 . 1 1 4 4 MET HA H 4 4.302 4.302 4.538 -0.236 18301 4767 1 13 . 1 1 4 4 MET C C 4 175.828 175.828 175.460 0.368 18301 4768 1 13 . 1 1 4 4 MET CA C 4 56.414 56.414 54.391 2.023 18301 4769 1 13 . 1 1 4 4 MET CB C 4 32.361 32.361 34.430 -2.069 18301 4770 1 13 . 1 1 4 4 MET H H 4 8.363 8.363 7.812 0.551 18301 4771 1 13 . 1 1 5 5 GLN N N 5 121.670 121.670 118.339 3.331 18301 4772 1 13 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.151 0.099 18301 4773 1 13 . 1 1 5 5 GLN C C 5 175.245 175.245 175.432 -0.187 18301 4774 1 13 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.614 -0.114 18301 4775 1 13 . 1 1 5 5 GLN CB C 5 29.319 29.319 28.991 0.328 18301 4776 1 13 . 1 1 5 5 GLN H H 5 8.266 8.266 8.458 -0.192 18301 4777 1 13 . 1 1 6 6 GLU N N 6 120.500 120.500 118.801 1.699 18301 4778 1 13 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.370 0.407 18301 4779 1 13 . 1 1 6 6 GLU C C 6 174.619 174.619 174.959 -0.340 18301 4780 1 13 . 1 1 6 6 GLU CA C 6 55.039 55.039 55.414 -0.376 18301 4781 1 13 . 1 1 6 6 GLU CB C 6 32.664 32.664 30.254 2.410 18301 4782 1 13 . 1 1 6 6 GLU H H 6 8.238 8.238 7.658 0.580 18301 4783 1 13 . 1 1 7 7 ALA N N 7 125.790 125.790 125.636 0.154 18301 4784 1 13 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.642 -0.080 18301 4785 1 13 . 1 1 7 7 ALA C C 7 173.633 173.633 175.390 -1.757 18301 4786 1 13 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.976 -0.706 18301 4787 1 13 . 1 1 7 7 ALA CB C 7 22.412 22.412 20.684 1.728 18301 4788 1 13 . 1 1 7 7 ALA H H 7 8.838 8.838 8.176 0.662 18301 4789 1 13 . 1 1 8 8 VAL N N 8 117.770 117.770 121.103 -3.333 18301 4790 1 13 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.098 0.268 18301 4791 1 13 . 1 1 8 8 VAL C C 8 176.717 176.717 176.348 0.369 18301 4792 1 13 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.152 0.430 18301 4793 1 13 . 1 1 8 8 VAL CB C 8 34.923 34.923 35.108 -0.184 18301 4794 1 13 . 1 1 8 8 VAL H H 8 8.340 8.340 8.468 -0.128 18301 4795 1 13 . 1 1 9 9 VAL N N 9 128.140 128.140 118.986 9.154 18301 4796 1 13 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.426 0.399 18301 4797 1 13 . 1 1 9 9 VAL C C 9 170.910 170.910 175.571 -4.661 18301 4798 1 13 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.794 -1.673 18301 4799 1 13 . 1 1 9 9 VAL CB C 9 34.879 34.879 32.222 2.657 18301 4800 1 13 . 1 1 9 9 VAL H H 9 9.560 9.560 8.606 0.954 18301 4801 1 13 . 1 1 10 10 LYS N N 10 126.441 126.441 121.843 4.598 18301 4802 1 13 . 1 1 10 10 LYS HA H 10 5.396 5.396 4.153 1.243 18301 4803 1 13 . 1 1 10 10 LYS C C 10 175.078 175.078 175.407 -0.329 18301 4804 1 13 . 1 1 10 10 LYS CA C 10 54.395 54.395 57.107 -2.712 18301 4805 1 13 . 1 1 10 10 LYS CB C 10 34.184 34.184 31.599 2.585 18301 4806 1 13 . 1 1 10 10 LYS H H 10 8.821 8.821 7.876 0.945 18301 4807 1 13 . 1 1 11 11 LEU N N 11 119.930 119.930 123.652 -3.722 18301 4808 1 13 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.636 0.735 18301 4809 1 13 . 1 1 11 11 LEU C C 11 177.801 177.801 175.866 1.935 18301 4810 1 13 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.703 -1.800 18301 4811 1 13 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.877 -1.963 18301 4812 1 13 . 1 1 11 11 LEU H H 11 9.277 9.277 8.737 0.540 18301 4813 1 13 . 1 1 12 12 ARG N N 12 125.200 125.200 120.013 5.187 18301 4814 1 13 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.614 0.290 18301 4815 1 13 . 1 1 12 12 ARG C C 12 175.773 175.773 175.506 0.267 18301 4816 1 13 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.165 0.476 18301 4817 1 13 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.572 -0.559 18301 4818 1 13 . 1 1 12 12 ARG H H 12 9.300 9.300 8.667 0.633 18301 4819 1 13 . 1 1 13 13 VAL N N 13 126.780 126.780 127.509 -0.729 18301 4820 1 13 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.417 0.094 18301 4821 1 13 . 1 1 13 13 VAL C C 13 174.564 174.564 176.215 -1.651 18301 4822 1 13 . 1 1 13 13 VAL CA C 13 61.785 61.785 63.164 -1.379 18301 4823 1 13 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.429 1.277 18301 4824 1 13 . 1 1 13 13 VAL H H 13 8.110 8.110 8.292 -0.182 18301 4825 1 13 . 1 1 14 14 GLU N N 14 126.510 126.510 127.481 -0.971 18301 4826 1 13 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.539 0.126 18301 4827 1 13 . 1 1 14 14 GLU C C 14 176.426 176.426 177.325 -0.899 18301 4828 1 13 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.085 -0.702 18301 4829 1 13 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.627 0.994 18301 4830 1 13 . 1 1 14 14 GLU H H 14 9.100 9.100 8.531 0.569 18301 4831 1 13 . 1 1 15 15 GLY N N 15 108.020 108.020 108.575 -0.555 18301 4832 1 13 . 1 1 15 15 GLY C C 15 175.884 175.884 174.401 1.483 18301 4833 1 13 . 1 1 15 15 GLY CA C 15 44.900 44.900 44.478 0.422 18301 4834 1 13 . 1 1 15 15 GLY H H 15 8.680 8.680 7.958 0.722 18301 4835 1 13 . 1 1 16 16 MET N N 16 120.590 120.590 120.107 0.483 18301 4836 1 13 . 1 1 16 16 MET HA H 16 4.880 4.880 4.563 0.317 18301 4837 1 13 . 1 1 16 16 MET C C 16 177.342 177.342 175.747 1.595 18301 4838 1 13 . 1 1 16 16 MET CA C 16 56.672 56.672 56.630 0.042 18301 4839 1 13 . 1 1 16 16 MET H H 16 9.033 9.033 7.791 1.242 18301 4840 1 13 . 1 1 17 17 THR N N 17 123.321 123.321 117.211 6.110 18301 4841 1 13 . 1 1 17 17 THR C C 17 176.231 176.231 174.435 1.796 18301 4842 1 13 . 1 1 17 17 THR CA C 17 57.114 57.114 60.885 -3.771 18301 4843 1 13 . 1 1 17 17 THR H H 17 8.591 8.591 8.567 0.024 18301 4844 1 13 . 1 1 18 18 CYS N N 18 120.560 120.560 117.841 2.719 18301 4845 1 13 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.214 0.846 18301 4846 1 13 . 1 1 18 18 CYS C C 18 174.467 174.467 175.180 -0.713 18301 4847 1 13 . 1 1 18 18 CYS CA C 18 57.500 57.500 60.081 -2.581 18301 4848 1 13 . 1 1 18 18 CYS CB C 18 30.996 30.996 27.279 3.717 18301 4849 1 13 . 1 1 18 18 CYS H H 18 8.809 8.809 8.374 0.435 18301 4850 1 13 . 1 1 20 20 SER N N 20 123.434 123.434 125.004 -1.570 18301 4851 1 13 . 1 1 20 20 SER HA H 20 4.461 4.461 4.395 0.066 18301 4852 1 13 . 1 1 20 20 SER C C 20 177.009 177.009 174.872 2.137 18301 4853 1 13 . 1 1 20 20 SER CA C 20 62.214 62.214 58.096 4.118 18301 4854 1 13 . 1 1 20 20 SER H H 20 8.297 8.297 8.850 -0.553 18301 4855 1 13 . 1 1 21 21 CYS N N 21 125.740 125.740 122.137 3.603 18301 4856 1 13 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.115 -0.055 18301 4857 1 13 . 1 1 21 21 CYS C C 21 177.495 177.495 175.440 2.055 18301 4858 1 13 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.719 1.827 18301 4859 1 13 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.274 1.526 18301 4860 1 13 . 1 1 21 21 CYS H H 21 7.861 7.861 8.526 -0.665 18301 4861 1 13 . 1 1 22 22 VAL N N 22 118.130 118.130 119.967 -1.837 18301 4862 1 13 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.395 -0.185 18301 4863 1 13 . 1 1 22 22 VAL C C 22 177.843 177.843 177.782 0.061 18301 4864 1 13 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.849 -0.424 18301 4865 1 13 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.707 -0.173 18301 4866 1 13 . 1 1 22 22 VAL H H 22 6.860 6.860 8.120 -1.260 18301 4867 1 13 . 1 1 23 23 SER N N 23 112.820 112.820 114.247 -1.427 18301 4868 1 13 . 1 1 23 23 SER HA H 23 4.220 4.220 4.131 0.089 18301 4869 1 13 . 1 1 23 23 SER C C 23 178.162 178.162 176.586 1.576 18301 4870 1 13 . 1 1 23 23 SER CA C 23 61.398 61.398 61.511 -0.113 18301 4871 1 13 . 1 1 23 23 SER CB C 23 62.550 62.550 62.828 -0.278 18301 4872 1 13 . 1 1 23 23 SER H H 23 8.341 8.341 7.708 0.633 18301 4873 1 13 . 1 1 24 24 SER N N 24 119.341 119.341 117.803 1.538 18301 4874 1 13 . 1 1 24 24 SER HA H 24 4.859 4.859 4.280 0.579 18301 4875 1 13 . 1 1 24 24 SER C C 24 176.856 176.856 176.317 0.539 18301 4876 1 13 . 1 1 24 24 SER CA C 24 61.570 61.570 61.150 0.420 18301 4877 1 13 . 1 1 24 24 SER CB C 24 62.506 62.506 63.040 -0.534 18301 4878 1 13 . 1 1 24 24 SER H H 24 8.286 8.286 7.358 0.928 18301 4879 1 13 . 1 1 25 25 ILE N N 25 122.340 122.340 121.250 1.090 18301 4880 1 13 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.695 -0.103 18301 4881 1 13 . 1 1 25 25 ILE C C 25 177.912 177.912 177.560 0.352 18301 4882 1 13 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.655 1.383 18301 4883 1 13 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.601 0.884 18301 4884 1 13 . 1 1 25 25 ILE H H 25 8.057 8.057 8.468 -0.411 18301 4885 1 13 . 1 1 26 26 GLU N N 26 117.081 117.081 120.054 -2.973 18301 4886 1 13 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.024 -0.469 18301 4887 1 13 . 1 1 26 26 GLU C C 26 178.523 178.523 179.413 -0.890 18301 4888 1 13 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.131 1.494 18301 4889 1 13 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.431 0.390 18301 4890 1 13 . 1 1 26 26 GLU H H 26 8.504 8.504 7.698 0.806 18301 4891 1 13 . 1 1 27 27 GLY N N 27 102.731 102.731 107.745 -5.014 18301 4892 1 13 . 1 1 27 27 GLY C C 27 175.925 175.925 176.248 -0.323 18301 4893 1 13 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.635 0.198 18301 4894 1 13 . 1 1 27 27 GLY H H 27 8.231 8.231 7.767 0.464 18301 4895 1 13 . 1 1 28 28 LYS N N 28 119.316 119.316 121.995 -2.679 18301 4896 1 13 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.016 0.094 18301 4897 1 13 . 1 1 28 28 LYS CA C 28 59.029 59.029 59.050 -0.021 18301 4898 1 13 . 1 1 28 28 LYS CB C 28 32.916 32.916 31.983 0.933 18301 4899 1 13 . 1 1 28 28 LYS H H 28 7.640 7.640 7.503 0.137 18301 4900 1 13 . 1 1 29 29 VAL N N 29 118.845 118.845 119.516 -0.671 18301 4901 1 13 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.650 -0.200 18301 4902 1 13 . 1 1 29 29 VAL C C 29 177.259 177.259 177.641 -0.382 18301 4903 1 13 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.465 0.272 18301 4904 1 13 . 1 1 29 29 VAL CB C 29 31.317 31.317 32.003 -0.686 18301 4905 1 13 . 1 1 29 29 VAL H H 29 8.577 8.577 7.561 1.016 18301 4906 1 13 . 1 1 30 30 ARG N N 30 115.480 115.480 118.258 -2.778 18301 4907 1 13 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.089 -0.269 18301 4908 1 13 . 1 1 30 30 ARG C C 30 176.717 176.717 177.210 -0.493 18301 4909 1 13 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.465 0.183 18301 4910 1 13 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.107 -0.006 18301 4911 1 13 . 1 1 30 30 ARG H H 30 8.083 8.083 7.911 0.172 18301 4912 1 13 . 1 1 31 31 LYS N N 31 114.395 114.395 116.065 -1.670 18301 4913 1 13 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.303 -0.112 18301 4914 1 13 . 1 1 31 31 LYS C C 31 176.870 176.870 176.748 0.122 18301 4915 1 13 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.632 0.611 18301 4916 1 13 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.937 -0.013 18301 4917 1 13 . 1 1 31 31 LYS H H 31 6.757 6.757 7.862 -1.105 18301 4918 1 13 . 1 1 32 32 LEU N N 32 121.290 121.290 121.895 -0.605 18301 4919 1 13 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.212 -0.117 18301 4920 1 13 . 1 1 32 32 LEU C C 32 177.398 177.398 177.517 -0.119 18301 4921 1 13 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.044 -0.391 18301 4922 1 13 . 1 1 32 32 LEU CB C 32 41.308 41.308 42.019 -0.711 18301 4923 1 13 . 1 1 32 32 LEU H H 32 7.386 7.386 7.418 -0.032 18301 4924 1 13 . 1 1 33 33 GLN N N 33 124.330 124.330 122.944 1.386 18301 4925 1 13 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.283 -0.193 18301 4926 1 13 . 1 1 33 33 GLN C C 33 175.661 175.661 176.683 -1.022 18301 4927 1 13 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.178 -0.283 18301 4928 1 13 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.827 -0.750 18301 4929 1 13 . 1 1 33 33 GLN H H 33 8.650 8.650 8.550 0.100 18301 4930 1 13 . 1 1 34 34 GLY N N 34 109.990 109.990 108.254 1.736 18301 4931 1 13 . 1 1 34 34 GLY C C 34 173.911 173.911 175.109 -1.198 18301 4932 1 13 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.762 0.782 18301 4933 1 13 . 1 1 34 34 GLY H H 34 8.759 8.759 7.916 0.843 18301 4934 1 13 . 1 1 35 35 VAL N N 35 119.540 119.540 121.422 -1.882 18301 4935 1 13 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.879 -0.029 18301 4936 1 13 . 1 1 35 35 VAL C C 35 175.759 175.759 176.057 -0.298 18301 4937 1 13 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.755 0.048 18301 4938 1 13 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.776 -1.350 18301 4939 1 13 . 1 1 35 35 VAL H H 35 7.600 7.600 7.928 -0.328 18301 4940 1 13 . 1 1 36 36 VAL N N 36 130.030 130.030 126.525 3.505 18301 4941 1 13 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.094 -0.182 18301 4942 1 13 . 1 1 36 36 VAL C C 36 176.023 176.023 175.537 0.486 18301 4943 1 13 . 1 1 36 36 VAL CA C 36 64.200 64.200 64.296 -0.096 18301 4944 1 13 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.792 0.888 18301 4945 1 13 . 1 1 36 36 VAL H H 36 9.141 9.141 8.756 0.385 18301 4946 1 13 . 1 1 37 37 ARG N N 37 116.750 116.750 116.120 0.630 18301 4947 1 13 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.547 0.094 18301 4948 1 13 . 1 1 37 37 ARG C C 37 173.230 173.230 173.668 -0.438 18301 4949 1 13 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.123 0.458 18301 4950 1 13 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.353 -0.416 18301 4951 1 13 . 1 1 37 37 ARG H H 37 7.859 7.859 7.719 0.140 18301 4952 1 13 . 1 1 38 38 VAL N N 38 119.900 119.900 117.976 1.924 18301 4953 1 13 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.953 0.026 18301 4954 1 13 . 1 1 38 38 VAL C C 38 171.841 171.841 173.992 -2.151 18301 4955 1 13 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.338 -0.701 18301 4956 1 13 . 1 1 38 38 VAL CB C 38 33.359 33.359 33.959 -0.600 18301 4957 1 13 . 1 1 38 38 VAL H H 38 8.785 8.785 8.468 0.317 18301 4958 1 13 . 1 1 39 39 LYS N N 39 126.750 126.750 127.055 -0.305 18301 4959 1 13 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.640 0.170 18301 4960 1 13 . 1 1 39 39 LYS C C 39 175.634 175.634 174.869 0.765 18301 4961 1 13 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.734 -0.296 18301 4962 1 13 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.894 0.463 18301 4963 1 13 . 1 1 39 39 LYS H H 39 8.360 8.360 8.575 -0.215 18301 4964 1 13 . 1 1 40 40 VAL N N 40 131.410 131.410 126.466 4.944 18301 4965 1 13 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.417 0.370 18301 4966 1 13 . 1 1 40 40 VAL C C 40 173.522 173.522 175.018 -1.496 18301 4967 1 13 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.275 -0.307 18301 4968 1 13 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.948 -1.545 18301 4969 1 13 . 1 1 40 40 VAL H H 40 10.183 10.183 8.620 1.563 18301 4970 1 13 . 1 1 41 41 SER N N 41 120.470 120.470 121.572 -1.102 18301 4971 1 13 . 1 1 41 41 SER HA H 41 4.852 4.852 4.837 0.015 18301 4972 1 13 . 1 1 41 41 SER C C 41 175.217 175.217 175.050 0.167 18301 4973 1 13 . 1 1 41 41 SER CA C 41 55.039 55.039 56.181 -1.143 18301 4974 1 13 . 1 1 41 41 SER CB C 41 64.710 64.710 63.549 1.161 18301 4975 1 13 . 1 1 41 41 SER H H 41 8.868 8.868 8.526 0.342 18301 4976 1 13 . 1 1 42 42 LEU N N 42 130.390 130.390 125.774 4.616 18301 4977 1 13 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.443 0.367 18301 4978 1 13 . 1 1 42 42 LEU C C 42 179.982 179.982 177.671 2.311 18301 4979 1 13 . 1 1 42 42 LEU CA C 42 57.875 57.875 57.117 0.758 18301 4980 1 13 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.709 0.320 18301 4981 1 13 . 1 1 42 42 LEU H H 42 8.998 8.998 8.822 0.176 18301 4982 1 13 . 1 1 44 44 ASN N N 44 116.079 116.079 117.460 -1.381 18301 4983 1 13 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.925 -0.081 18301 4984 1 13 . 1 1 44 44 ASN C C 44 173.786 173.786 174.221 -0.435 18301 4985 1 13 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.405 -0.115 18301 4986 1 13 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.093 -0.913 18301 4987 1 13 . 1 1 44 44 ASN H H 44 7.812 7.812 7.554 0.258 18301 4988 1 13 . 1 1 45 45 GLN N N 45 117.658 117.658 113.823 3.835 18301 4989 1 13 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.953 -0.352 18301 4990 1 13 . 1 1 45 45 GLN C C 45 175.314 175.314 173.860 1.454 18301 4991 1 13 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.256 -0.326 18301 4992 1 13 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.321 -0.260 18301 4993 1 13 . 1 1 45 45 GLN H H 45 7.679 7.679 7.807 -0.128 18301 4994 1 13 . 1 1 46 46 GLU N N 46 116.510 116.510 115.847 0.663 18301 4995 1 13 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.788 0.906 18301 4996 1 13 . 1 1 46 46 GLU C C 46 173.869 173.869 173.705 0.164 18301 4997 1 13 . 1 1 46 46 GLU CA C 46 54.395 54.395 54.013 0.382 18301 4998 1 13 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.096 1.435 18301 4999 1 13 . 1 1 46 46 GLU H H 46 7.780 7.780 7.825 -0.045 18301 5000 1 13 . 1 1 47 47 ALA N N 47 124.870 124.870 124.026 0.844 18301 5001 1 13 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.696 0.411 18301 5002 1 13 . 1 1 47 47 ALA C C 47 174.758 174.758 175.175 -0.417 18301 5003 1 13 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.548 -0.750 18301 5004 1 13 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.590 0.486 18301 5005 1 13 . 1 1 47 47 ALA H H 47 9.170 9.170 8.480 0.690 18301 5006 1 13 . 1 1 48 48 VAL N N 48 123.890 123.890 123.860 0.030 18301 5007 1 13 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.510 0.062 18301 5008 1 13 . 1 1 48 48 VAL C C 48 176.217 176.217 174.315 1.902 18301 5009 1 13 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.586 1.058 18301 5010 1 13 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.384 -0.851 18301 5011 1 13 . 1 1 48 48 VAL H H 48 8.930 8.930 8.945 -0.015 18301 5012 1 13 . 1 1 49 49 ILE N N 49 129.890 129.890 128.385 1.505 18301 5013 1 13 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.384 0.456 18301 5014 1 13 . 1 1 49 49 ILE C C 49 174.619 174.619 174.830 -0.211 18301 5015 1 13 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.524 -0.114 18301 5016 1 13 . 1 1 49 49 ILE CB C 49 40.917 40.917 39.950 0.967 18301 5017 1 13 . 1 1 49 49 ILE H H 49 9.340 9.340 8.890 0.450 18301 5018 1 13 . 1 1 50 50 THR N N 50 125.910 125.910 124.401 1.509 18301 5019 1 13 . 1 1 50 50 THR HA H 50 5.486 5.486 4.885 0.601 18301 5020 1 13 . 1 1 50 50 THR C C 50 174.286 174.286 173.769 0.517 18301 5021 1 13 . 1 1 50 50 THR CA C 50 61.871 61.871 62.472 -0.601 18301 5022 1 13 . 1 1 50 50 THR CB C 50 68.762 68.762 69.379 -0.617 18301 5023 1 13 . 1 1 50 50 THR H H 50 9.225 9.225 8.943 0.282 18301 5024 1 13 . 1 1 51 51 TYR N N 51 127.720 127.720 125.778 1.942 18301 5025 1 13 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.874 0.791 18301 5026 1 13 . 1 1 51 51 TYR C C 51 171.758 171.758 172.664 -0.906 18301 5027 1 13 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.563 -0.438 18301 5028 1 13 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.833 0.711 18301 5029 1 13 . 1 1 51 51 TYR H H 51 9.846 9.846 9.469 0.377 18301 5030 1 13 . 1 1 52 52 GLN N N 52 120.470 120.470 118.466 2.004 18301 5031 1 13 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.638 0.385 18301 5032 1 13 . 1 1 52 52 GLN C C 52 175.286 175.286 174.001 1.285 18301 5033 1 13 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.245 0.744 18301 5034 1 13 . 1 1 52 52 GLN H H 52 9.072 9.072 8.580 0.492 18301 5035 1 13 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.777 -1.059 18301 5036 1 13 . 1 1 53 53 PRO CB C 53 32.403 32.403 31.871 0.532 18301 5037 1 13 . 1 1 54 54 TYR N N 54 114.650 114.650 116.577 -1.927 18301 5038 1 13 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.469 -0.068 18301 5039 1 13 . 1 1 54 54 TYR C C 54 175.689 175.689 175.028 0.661 18301 5040 1 13 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.202 -0.468 18301 5041 1 13 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.940 -1.368 18301 5042 1 13 . 1 1 54 54 TYR H H 54 8.158 8.158 8.059 0.099 18301 5043 1 13 . 1 1 55 55 LEU N N 55 117.788 117.788 117.717 0.071 18301 5044 1 13 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.447 -0.035 18301 5045 1 13 . 1 1 55 55 LEU C C 55 175.786 175.786 176.865 -1.079 18301 5046 1 13 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.972 0.067 18301 5047 1 13 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.446 2.423 18301 5048 1 13 . 1 1 55 55 LEU H H 55 7.968 7.968 7.343 0.625 18301 5049 1 13 . 1 1 56 56 ILE N N 56 121.565 121.565 118.262 3.303 18301 5050 1 13 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.375 0.046 18301 5051 1 13 . 1 1 56 56 ILE C C 56 170.396 170.396 174.260 -3.864 18301 5052 1 13 . 1 1 56 56 ILE CA C 56 61.355 61.355 58.989 2.366 18301 5053 1 13 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.298 -0.512 18301 5054 1 13 . 1 1 56 56 ILE H H 56 8.211 8.211 7.798 0.413 18301 5055 1 13 . 1 1 57 57 GLN N N 57 119.400 119.400 123.990 -4.590 18301 5056 1 13 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.856 0.137 18301 5057 1 13 . 1 1 57 57 GLN C C 57 175.911 175.911 174.837 1.074 18301 5058 1 13 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.360 -2.113 18301 5059 1 13 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.257 0.627 18301 5060 1 13 . 1 1 57 57 GLN H H 57 7.953 7.953 8.648 -0.695 18301 5061 1 13 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.634 0.446 18301 5062 1 13 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.799 0.001 18301 5063 1 13 . 1 1 59 59 GLU N N 59 116.700 116.700 118.333 -1.633 18301 5064 1 13 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.972 -0.395 18301 5065 1 13 . 1 1 59 59 GLU C C 59 177.634 177.634 178.292 -0.658 18301 5066 1 13 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.954 1.401 18301 5067 1 13 . 1 1 59 59 GLU CB C 59 28.407 28.407 29.060 -0.653 18301 5068 1 13 . 1 1 59 59 GLU H H 59 9.588 9.588 8.660 0.928 18301 5069 1 13 . 1 1 60 60 ASP N N 60 116.670 116.670 118.238 -1.568 18301 5070 1 13 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.424 -0.153 18301 5071 1 13 . 1 1 60 60 ASP C C 60 178.898 178.898 178.724 0.174 18301 5072 1 13 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.202 -0.315 18301 5073 1 13 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.656 0.070 18301 5074 1 13 . 1 1 60 60 ASP H H 60 6.994 6.994 8.303 -1.309 18301 5075 1 13 . 1 1 61 61 LEU N N 61 120.023 120.023 118.423 1.600 18301 5076 1 13 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.250 -0.491 18301 5077 1 13 . 1 1 61 61 LEU C C 61 177.009 177.009 178.275 -1.266 18301 5078 1 13 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.270 0.950 18301 5079 1 13 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.272 0.293 18301 5080 1 13 . 1 1 61 61 LEU H H 61 7.220 7.220 7.509 -0.289 18301 5081 1 13 . 1 1 62 62 ARG N N 62 117.758 117.758 119.607 -1.849 18301 5082 1 13 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.854 0.856 18301 5083 1 13 . 1 1 62 62 ARG C C 62 177.676 177.676 177.977 -0.301 18301 5084 1 13 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.692 -0.270 18301 5085 1 13 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.697 -0.726 18301 5086 1 13 . 1 1 62 62 ARG H H 62 8.034 8.034 7.874 0.160 18301 5087 1 13 . 1 1 63 63 ASP N N 63 119.490 119.490 117.272 2.218 18301 5088 1 13 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.396 -0.008 18301 5089 1 13 . 1 1 63 63 ASP C C 63 178.190 178.190 178.290 -0.100 18301 5090 1 13 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.143 0.517 18301 5091 1 13 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.739 -1.646 18301 5092 1 13 . 1 1 63 63 ASP H H 63 8.187 8.187 7.857 0.330 18301 5093 1 13 . 1 1 64 64 HIS N N 64 119.289 119.289 118.924 0.365 18301 5094 1 13 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.284 0.075 18301 5095 1 13 . 1 1 64 64 HIS C C 64 178.607 178.607 178.061 0.546 18301 5096 1 13 . 1 1 64 64 HIS CA C 64 60.324 60.324 59.099 1.224 18301 5097 1 13 . 1 1 64 64 HIS CB C 64 30.400 30.400 30.009 0.391 18301 5098 1 13 . 1 1 64 64 HIS H H 64 8.250 8.250 7.470 0.780 18301 5099 1 13 . 1 1 65 65 VAL N N 65 119.590 119.590 119.856 -0.266 18301 5100 1 13 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.709 0.013 18301 5101 1 13 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.845 0.095 18301 5102 1 13 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.680 0.133 18301 5103 1 13 . 1 1 65 65 VAL H H 65 7.638 7.638 7.737 -0.099 18301 5104 1 13 . 1 1 66 66 ASN N N 66 121.680 121.680 116.855 4.825 18301 5105 1 13 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.692 0.458 18301 5106 1 13 . 1 1 66 66 ASN C C 66 180.454 180.454 177.328 3.126 18301 5107 1 13 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.810 -0.127 18301 5108 1 13 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.221 -0.235 18301 5109 1 13 . 1 1 66 66 ASN H H 66 8.461 8.461 8.003 0.458 18301 5110 1 13 . 1 1 67 67 ASP N N 67 120.750 120.750 120.021 0.729 18301 5111 1 13 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.479 -0.039 18301 5112 1 13 . 1 1 67 67 ASP C C 67 177.537 177.537 177.191 0.346 18301 5113 1 13 . 1 1 67 67 ASP CA C 67 56.628 56.628 55.959 0.669 18301 5114 1 13 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.489 -0.006 18301 5115 1 13 . 1 1 67 67 ASP H H 67 8.385 8.385 7.851 0.534 18301 5116 1 13 . 1 1 68 68 MET N N 68 116.510 116.510 115.608 0.902 18301 5117 1 13 . 1 1 68 68 MET HA H 68 4.287 4.287 4.373 -0.086 18301 5118 1 13 . 1 1 68 68 MET C C 68 176.064 176.064 177.257 -1.193 18301 5119 1 13 . 1 1 68 68 MET CA C 68 56.672 56.672 57.123 -0.452 18301 5120 1 13 . 1 1 68 68 MET CB C 68 33.933 33.933 33.407 0.526 18301 5121 1 13 . 1 1 68 68 MET H H 68 7.680 7.680 7.638 0.042 18301 5122 1 13 . 1 1 69 69 GLY N N 69 105.290 105.290 105.998 -0.708 18301 5123 1 13 . 1 1 69 69 GLY C C 69 173.640 173.640 174.687 -1.047 18301 5124 1 13 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.631 -0.875 18301 5125 1 13 . 1 1 69 69 GLY H H 69 8.049 8.049 8.258 -0.209 18301 5126 1 13 . 1 1 70 70 PHE N N 70 118.850 118.850 120.519 -1.669 18301 5127 1 13 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.749 -0.013 18301 5128 1 13 . 1 1 70 70 PHE C C 70 172.772 172.772 174.790 -2.018 18301 5129 1 13 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.245 0.614 18301 5130 1 13 . 1 1 70 70 PHE CB C 70 40.570 40.570 41.036 -0.466 18301 5131 1 13 . 1 1 70 70 PHE H H 70 6.689 6.689 8.110 -1.421 18301 5132 1 13 . 1 1 71 71 GLU N N 71 118.550 118.550 118.921 -0.371 18301 5133 1 13 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.699 0.011 18301 5134 1 13 . 1 1 71 71 GLU C C 71 175.370 175.370 175.552 -0.182 18301 5135 1 13 . 1 1 71 71 GLU CA C 71 55.899 55.899 54.996 0.903 18301 5136 1 13 . 1 1 71 71 GLU CB C 71 30.709 30.709 31.123 -0.414 18301 5137 1 13 . 1 1 71 71 GLU H H 71 8.030 8.030 8.759 -0.729 18301 5138 1 13 . 1 1 72 72 ALA N N 72 129.745 129.745 127.561 2.184 18301 5139 1 13 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.339 0.577 18301 5140 1 13 . 1 1 72 72 ALA C C 72 176.245 176.245 175.988 0.257 18301 5141 1 13 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.607 -0.938 18301 5142 1 13 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.547 0.948 18301 5143 1 13 . 1 1 72 72 ALA H H 72 9.580 9.580 8.646 0.934 18301 5144 1 13 . 1 1 73 73 ALA N N 73 121.581 121.581 125.379 -3.798 18301 5145 1 13 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.818 -0.297 18301 5146 1 13 . 1 1 73 73 ALA C C 73 176.162 176.162 176.432 -0.270 18301 5147 1 13 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.470 0.273 18301 5148 1 13 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.045 0.584 18301 5149 1 13 . 1 1 73 73 ALA H H 73 8.633 8.633 8.259 0.374 18301 5150 1 13 . 1 1 74 74 ILE N N 74 123.360 123.360 123.743 -0.383 18301 5151 1 13 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.751 0.243 18301 5152 1 13 . 1 1 74 74 ILE C C 74 176.217 176.217 176.944 -0.727 18301 5153 1 13 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.682 0.649 18301 5154 1 13 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.202 1.109 18301 5155 1 13 . 1 1 74 74 ILE H H 74 8.962 8.962 8.601 0.361 18301 5156 1 13 . 1 1 75 75 LYS N N 75 130.310 130.310 127.964 2.346 18301 5157 1 13 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.902 0.651 18301 5158 1 13 . 1 1 75 75 LYS C C 75 175.217 175.217 176.592 -1.375 18301 5159 1 13 . 1 1 75 75 LYS CA C 75 56.457 56.457 59.135 -2.678 18301 5160 1 13 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.874 0.398 18301 5161 1 13 . 1 1 75 75 LYS H H 75 8.842 8.842 8.920 -0.078 18301 5162 1 14 . 1 1 4 4 MET N N 4 121.245 121.245 116.062 5.183 18301 5163 1 14 . 1 1 4 4 MET HA H 4 4.302 4.302 4.120 0.182 18301 5164 1 14 . 1 1 4 4 MET C C 4 175.828 175.828 175.665 0.163 18301 5165 1 14 . 1 1 4 4 MET CA C 4 56.414 56.414 56.153 0.261 18301 5166 1 14 . 1 1 4 4 MET CB C 4 32.361 32.361 30.680 1.681 18301 5167 1 14 . 1 1 4 4 MET H H 4 8.363 8.363 8.691 -0.328 18301 5168 1 14 . 1 1 5 5 GLN N N 5 121.670 121.670 118.642 3.028 18301 5169 1 14 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.233 0.017 18301 5170 1 14 . 1 1 5 5 GLN C C 5 175.245 175.245 175.881 -0.636 18301 5171 1 14 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.321 0.179 18301 5172 1 14 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.380 -0.061 18301 5173 1 14 . 1 1 5 5 GLN H H 5 8.266 8.266 8.540 -0.274 18301 5174 1 14 . 1 1 6 6 GLU N N 6 120.500 120.500 118.705 1.795 18301 5175 1 14 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.087 0.690 18301 5176 1 14 . 1 1 6 6 GLU C C 6 174.619 174.619 175.390 -0.771 18301 5177 1 14 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.639 -1.600 18301 5178 1 14 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.677 2.987 18301 5179 1 14 . 1 1 6 6 GLU H H 6 8.238 8.238 7.711 0.527 18301 5180 1 14 . 1 1 7 7 ALA N N 7 125.790 125.790 123.673 2.117 18301 5181 1 14 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.694 -0.132 18301 5182 1 14 . 1 1 7 7 ALA C C 7 173.633 173.633 175.154 -1.521 18301 5183 1 14 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.733 -0.463 18301 5184 1 14 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.663 0.749 18301 5185 1 14 . 1 1 7 7 ALA H H 7 8.838 8.838 8.553 0.285 18301 5186 1 14 . 1 1 8 8 VAL N N 8 117.770 117.770 118.187 -0.417 18301 5187 1 14 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.992 0.374 18301 5188 1 14 . 1 1 8 8 VAL C C 8 176.717 176.717 176.760 -0.043 18301 5189 1 14 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.670 -0.088 18301 5190 1 14 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.816 0.107 18301 5191 1 14 . 1 1 8 8 VAL H H 8 8.340 8.340 8.410 -0.070 18301 5192 1 14 . 1 1 9 9 VAL N N 9 128.140 128.140 119.173 8.967 18301 5193 1 14 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.383 0.442 18301 5194 1 14 . 1 1 9 9 VAL C C 9 170.910 170.910 174.896 -3.986 18301 5195 1 14 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.726 -1.605 18301 5196 1 14 . 1 1 9 9 VAL CB C 9 34.879 34.879 32.471 2.408 18301 5197 1 14 . 1 1 9 9 VAL H H 9 9.560 9.560 8.629 0.931 18301 5198 1 14 . 1 1 10 10 LYS N N 10 126.441 126.441 121.763 4.678 18301 5199 1 14 . 1 1 10 10 LYS HA H 10 5.396 5.396 4.159 1.237 18301 5200 1 14 . 1 1 10 10 LYS C C 10 175.078 175.078 175.378 -0.300 18301 5201 1 14 . 1 1 10 10 LYS CA C 10 54.395 54.395 57.410 -3.015 18301 5202 1 14 . 1 1 10 10 LYS CB C 10 34.184 34.184 31.634 2.550 18301 5203 1 14 . 1 1 10 10 LYS H H 10 8.821 8.821 7.821 1.000 18301 5204 1 14 . 1 1 11 11 LEU N N 11 119.930 119.930 122.753 -2.823 18301 5205 1 14 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.686 0.685 18301 5206 1 14 . 1 1 11 11 LEU C C 11 177.801 177.801 175.978 1.823 18301 5207 1 14 . 1 1 11 11 LEU CA C 11 51.903 51.903 52.873 -0.970 18301 5208 1 14 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.456 -1.542 18301 5209 1 14 . 1 1 11 11 LEU H H 11 9.277 9.277 8.674 0.603 18301 5210 1 14 . 1 1 12 12 ARG N N 12 125.200 125.200 120.120 5.080 18301 5211 1 14 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.586 0.318 18301 5212 1 14 . 1 1 12 12 ARG C C 12 175.773 175.773 175.123 0.650 18301 5213 1 14 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.134 0.507 18301 5214 1 14 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.753 -0.740 18301 5215 1 14 . 1 1 12 12 ARG H H 12 9.300 9.300 8.617 0.683 18301 5216 1 14 . 1 1 13 13 VAL N N 13 126.780 126.780 127.186 -0.406 18301 5217 1 14 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.418 0.093 18301 5218 1 14 . 1 1 13 13 VAL C C 13 174.564 174.564 175.207 -0.643 18301 5219 1 14 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.656 -0.870 18301 5220 1 14 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.747 0.959 18301 5221 1 14 . 1 1 13 13 VAL H H 13 8.110 8.110 8.113 -0.003 18301 5222 1 14 . 1 1 14 14 GLU N N 14 126.510 126.510 127.686 -1.176 18301 5223 1 14 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.343 0.322 18301 5224 1 14 . 1 1 14 14 GLU C C 14 176.426 176.426 177.312 -0.886 18301 5225 1 14 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.856 -1.473 18301 5226 1 14 . 1 1 14 14 GLU CB C 14 31.621 31.621 31.369 0.252 18301 5227 1 14 . 1 1 14 14 GLU H H 14 9.100 9.100 8.025 1.075 18301 5228 1 14 . 1 1 15 15 GLY N N 15 108.020 108.020 108.788 -0.768 18301 5229 1 14 . 1 1 15 15 GLY C C 15 175.884 175.884 174.315 1.569 18301 5230 1 14 . 1 1 15 15 GLY CA C 15 44.900 44.900 46.155 -1.255 18301 5231 1 14 . 1 1 15 15 GLY H H 15 8.680 8.680 8.248 0.432 18301 5232 1 14 . 1 1 16 16 MET N N 16 120.590 120.590 119.055 1.535 18301 5233 1 14 . 1 1 16 16 MET HA H 16 4.880 4.880 3.905 0.975 18301 5234 1 14 . 1 1 16 16 MET C C 16 177.342 177.342 175.476 1.866 18301 5235 1 14 . 1 1 16 16 MET CA C 16 56.672 56.672 56.188 0.484 18301 5236 1 14 . 1 1 16 16 MET H H 16 9.033 9.033 7.644 1.389 18301 5237 1 14 . 1 1 17 17 THR N N 17 123.321 123.321 115.179 8.142 18301 5238 1 14 . 1 1 17 17 THR C C 17 176.231 176.231 174.386 1.845 18301 5239 1 14 . 1 1 17 17 THR CA C 17 57.114 57.114 62.031 -4.917 18301 5240 1 14 . 1 1 17 17 THR H H 17 8.591 8.591 8.270 0.321 18301 5241 1 14 . 1 1 18 18 CYS N N 18 120.560 120.560 119.649 0.911 18301 5242 1 14 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.782 0.278 18301 5243 1 14 . 1 1 18 18 CYS C C 18 174.467 174.467 174.184 0.283 18301 5244 1 14 . 1 1 18 18 CYS CA C 18 57.500 57.500 56.529 0.972 18301 5245 1 14 . 1 1 18 18 CYS CB C 18 30.996 30.996 30.423 0.573 18301 5246 1 14 . 1 1 18 18 CYS H H 18 8.809 8.809 8.159 0.650 18301 5247 1 14 . 1 1 20 20 SER N N 20 123.434 123.434 117.891 5.543 18301 5248 1 14 . 1 1 20 20 SER HA H 20 4.461 4.461 4.505 -0.044 18301 5249 1 14 . 1 1 20 20 SER C C 20 177.009 177.009 176.015 0.994 18301 5250 1 14 . 1 1 20 20 SER CA C 20 62.214 62.214 58.276 3.938 18301 5251 1 14 . 1 1 20 20 SER H H 20 8.297 8.297 8.383 -0.086 18301 5252 1 14 . 1 1 21 21 CYS N N 21 125.740 125.740 123.242 2.498 18301 5253 1 14 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.326 -0.266 18301 5254 1 14 . 1 1 21 21 CYS C C 21 177.495 177.495 176.736 0.759 18301 5255 1 14 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.670 1.876 18301 5256 1 14 . 1 1 21 21 CYS CB C 21 28.800 28.800 26.339 2.461 18301 5257 1 14 . 1 1 21 21 CYS H H 21 7.861 7.861 8.634 -0.773 18301 5258 1 14 . 1 1 22 22 VAL N N 22 118.130 118.130 120.924 -2.794 18301 5259 1 14 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.556 -0.346 18301 5260 1 14 . 1 1 22 22 VAL C C 22 177.843 177.843 178.030 -0.187 18301 5261 1 14 . 1 1 22 22 VAL CA C 22 66.425 66.425 67.132 -0.707 18301 5262 1 14 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.509 0.025 18301 5263 1 14 . 1 1 22 22 VAL H H 22 6.860 6.860 8.187 -1.327 18301 5264 1 14 . 1 1 23 23 SER N N 23 112.820 112.820 113.743 -0.923 18301 5265 1 14 . 1 1 23 23 SER HA H 23 4.220 4.220 4.224 -0.004 18301 5266 1 14 . 1 1 23 23 SER C C 23 178.162 178.162 176.448 1.714 18301 5267 1 14 . 1 1 23 23 SER CA C 23 61.398 61.398 61.757 -0.359 18301 5268 1 14 . 1 1 23 23 SER CB C 23 62.550 62.550 62.995 -0.445 18301 5269 1 14 . 1 1 23 23 SER H H 23 8.341 8.341 7.783 0.558 18301 5270 1 14 . 1 1 24 24 SER N N 24 119.341 119.341 118.079 1.262 18301 5271 1 14 . 1 1 24 24 SER HA H 24 4.859 4.859 4.251 0.608 18301 5272 1 14 . 1 1 24 24 SER C C 24 176.856 176.856 176.797 0.059 18301 5273 1 14 . 1 1 24 24 SER CA C 24 61.570 61.570 61.337 0.233 18301 5274 1 14 . 1 1 24 24 SER CB C 24 62.506 62.506 63.286 -0.780 18301 5275 1 14 . 1 1 24 24 SER H H 24 8.286 8.286 7.475 0.811 18301 5276 1 14 . 1 1 25 25 ILE N N 25 122.340 122.340 122.765 -0.425 18301 5277 1 14 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.912 -0.320 18301 5278 1 14 . 1 1 25 25 ILE C C 25 177.912 177.912 178.919 -1.007 18301 5279 1 14 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.872 1.166 18301 5280 1 14 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.899 0.586 18301 5281 1 14 . 1 1 25 25 ILE H H 25 8.057 8.057 8.574 -0.517 18301 5282 1 14 . 1 1 26 26 GLU N N 26 117.081 117.081 120.862 -3.781 18301 5283 1 14 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.035 -0.480 18301 5284 1 14 . 1 1 26 26 GLU C C 26 178.523 178.523 179.262 -0.739 18301 5285 1 14 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.178 1.447 18301 5286 1 14 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.444 0.377 18301 5287 1 14 . 1 1 26 26 GLU H H 26 8.504 8.504 7.979 0.525 18301 5288 1 14 . 1 1 27 27 GLY N N 27 102.731 102.731 106.469 -3.738 18301 5289 1 14 . 1 1 27 27 GLY C C 27 175.925 175.925 175.640 0.285 18301 5290 1 14 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.330 0.504 18301 5291 1 14 . 1 1 27 27 GLY H H 27 8.231 8.231 7.904 0.327 18301 5292 1 14 . 1 1 28 28 LYS N N 28 119.316 119.316 121.709 -2.393 18301 5293 1 14 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.105 0.005 18301 5294 1 14 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.392 0.637 18301 5295 1 14 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.121 0.795 18301 5296 1 14 . 1 1 28 28 LYS H H 28 7.640 7.640 7.464 0.176 18301 5297 1 14 . 1 1 29 29 VAL N N 29 118.845 118.845 119.034 -0.189 18301 5298 1 14 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.695 -0.245 18301 5299 1 14 . 1 1 29 29 VAL C C 29 177.259 177.259 176.886 0.373 18301 5300 1 14 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.388 0.349 18301 5301 1 14 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.704 -0.387 18301 5302 1 14 . 1 1 29 29 VAL H H 29 8.577 8.577 7.563 1.014 18301 5303 1 14 . 1 1 30 30 ARG N N 30 115.480 115.480 117.547 -2.067 18301 5304 1 14 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.149 -0.329 18301 5305 1 14 . 1 1 30 30 ARG C C 30 176.717 176.717 177.442 -0.725 18301 5306 1 14 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.376 0.272 18301 5307 1 14 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.363 -0.262 18301 5308 1 14 . 1 1 30 30 ARG H H 30 8.083 8.083 7.438 0.645 18301 5309 1 14 . 1 1 31 31 LYS N N 31 114.395 114.395 116.622 -2.227 18301 5310 1 14 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.297 -0.106 18301 5311 1 14 . 1 1 31 31 LYS C C 31 176.870 176.870 176.581 0.289 18301 5312 1 14 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.860 0.382 18301 5313 1 14 . 1 1 31 31 LYS CB C 31 32.924 32.924 33.048 -0.124 18301 5314 1 14 . 1 1 31 31 LYS H H 31 6.757 6.757 7.874 -1.117 18301 5315 1 14 . 1 1 32 32 LEU N N 32 121.290 121.290 121.189 0.101 18301 5316 1 14 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.264 -0.169 18301 5317 1 14 . 1 1 32 32 LEU C C 32 177.398 177.398 177.744 -0.346 18301 5318 1 14 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.071 -0.418 18301 5319 1 14 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.638 -0.330 18301 5320 1 14 . 1 1 32 32 LEU H H 32 7.386 7.386 7.066 0.320 18301 5321 1 14 . 1 1 33 33 GLN N N 33 124.330 124.330 124.429 -0.099 18301 5322 1 14 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.247 -0.157 18301 5323 1 14 . 1 1 33 33 GLN C C 33 175.661 175.661 177.419 -1.758 18301 5324 1 14 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.753 -0.858 18301 5325 1 14 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.233 -1.156 18301 5326 1 14 . 1 1 33 33 GLN H H 33 8.650 8.650 8.567 0.083 18301 5327 1 14 . 1 1 34 34 GLY N N 34 109.990 109.990 107.775 2.215 18301 5328 1 14 . 1 1 34 34 GLY C C 34 173.911 173.911 175.276 -1.365 18301 5329 1 14 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.680 -0.136 18301 5330 1 14 . 1 1 34 34 GLY H H 34 8.759 8.759 8.143 0.616 18301 5331 1 14 . 1 1 35 35 VAL N N 35 119.540 119.540 120.931 -1.391 18301 5332 1 14 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.933 -0.083 18301 5333 1 14 . 1 1 35 35 VAL C C 35 175.759 175.759 176.077 -0.318 18301 5334 1 14 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.988 -0.185 18301 5335 1 14 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.708 -1.282 18301 5336 1 14 . 1 1 35 35 VAL H H 35 7.600 7.600 7.806 -0.206 18301 5337 1 14 . 1 1 36 36 VAL N N 36 130.030 130.030 125.769 4.261 18301 5338 1 14 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.035 -0.123 18301 5339 1 14 . 1 1 36 36 VAL C C 36 176.023 176.023 176.048 -0.025 18301 5340 1 14 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.610 0.590 18301 5341 1 14 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.605 1.075 18301 5342 1 14 . 1 1 36 36 VAL H H 36 9.141 9.141 8.785 0.356 18301 5343 1 14 . 1 1 37 37 ARG N N 37 116.750 116.750 116.714 0.036 18301 5344 1 14 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.516 0.125 18301 5345 1 14 . 1 1 37 37 ARG C C 37 173.230 173.230 173.230 0.000 18301 5346 1 14 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.219 0.362 18301 5347 1 14 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.689 -0.752 18301 5348 1 14 . 1 1 37 37 ARG H H 37 7.859 7.859 7.720 0.139 18301 5349 1 14 . 1 1 38 38 VAL N N 38 119.900 119.900 122.131 -2.231 18301 5350 1 14 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.810 0.169 18301 5351 1 14 . 1 1 38 38 VAL C C 38 171.841 171.841 174.265 -2.424 18301 5352 1 14 . 1 1 38 38 VAL CA C 38 59.637 59.637 59.978 -0.341 18301 5353 1 14 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.221 -0.862 18301 5354 1 14 . 1 1 38 38 VAL H H 38 8.785 8.785 8.475 0.310 18301 5355 1 14 . 1 1 39 39 LYS N N 39 126.750 126.750 129.432 -2.682 18301 5356 1 14 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.742 0.068 18301 5357 1 14 . 1 1 39 39 LYS C C 39 175.634 175.634 174.644 0.990 18301 5358 1 14 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.646 -0.208 18301 5359 1 14 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.755 0.602 18301 5360 1 14 . 1 1 39 39 LYS H H 39 8.360 8.360 8.834 -0.474 18301 5361 1 14 . 1 1 40 40 VAL N N 40 131.410 131.410 126.661 4.749 18301 5362 1 14 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.365 0.422 18301 5363 1 14 . 1 1 40 40 VAL C C 40 173.522 173.522 175.100 -1.578 18301 5364 1 14 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.547 -0.579 18301 5365 1 14 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.777 -1.374 18301 5366 1 14 . 1 1 40 40 VAL H H 40 10.183 10.183 8.625 1.558 18301 5367 1 14 . 1 1 41 41 SER N N 41 120.470 120.470 122.566 -2.096 18301 5368 1 14 . 1 1 41 41 SER HA H 41 4.852 4.852 4.851 0.001 18301 5369 1 14 . 1 1 41 41 SER C C 41 175.217 175.217 174.651 0.566 18301 5370 1 14 . 1 1 41 41 SER CA C 41 55.039 55.039 55.721 -0.682 18301 5371 1 14 . 1 1 41 41 SER CB C 41 64.710 64.710 63.029 1.681 18301 5372 1 14 . 1 1 41 41 SER H H 41 8.868 8.868 8.402 0.466 18301 5373 1 14 . 1 1 42 42 LEU N N 42 130.390 130.390 125.380 5.010 18301 5374 1 14 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.311 0.499 18301 5375 1 14 . 1 1 42 42 LEU C C 42 179.982 179.982 177.609 2.373 18301 5376 1 14 . 1 1 42 42 LEU CA C 42 57.875 57.875 57.237 0.638 18301 5377 1 14 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.694 0.336 18301 5378 1 14 . 1 1 42 42 LEU H H 42 8.998 8.998 8.644 0.354 18301 5379 1 14 . 1 1 44 44 ASN N N 44 116.079 116.079 118.649 -2.570 18301 5380 1 14 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.841 0.003 18301 5381 1 14 . 1 1 44 44 ASN C C 44 173.786 173.786 174.299 -0.513 18301 5382 1 14 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.815 -0.525 18301 5383 1 14 . 1 1 44 44 ASN CB C 44 38.180 38.180 38.930 -0.750 18301 5384 1 14 . 1 1 44 44 ASN H H 44 7.812 7.812 7.912 -0.100 18301 5385 1 14 . 1 1 45 45 GLN N N 45 117.658 117.658 114.147 3.511 18301 5386 1 14 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.919 -0.318 18301 5387 1 14 . 1 1 45 45 GLN C C 45 175.314 175.314 173.924 1.390 18301 5388 1 14 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.129 -0.199 18301 5389 1 14 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.108 -0.046 18301 5390 1 14 . 1 1 45 45 GLN H H 45 7.679 7.679 7.792 -0.113 18301 5391 1 14 . 1 1 46 46 GLU N N 46 116.510 116.510 116.060 0.450 18301 5392 1 14 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.768 0.926 18301 5393 1 14 . 1 1 46 46 GLU C C 46 173.869 173.869 173.733 0.136 18301 5394 1 14 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.976 0.419 18301 5395 1 14 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.044 1.487 18301 5396 1 14 . 1 1 46 46 GLU H H 46 7.780 7.780 7.821 -0.041 18301 5397 1 14 . 1 1 47 47 ALA N N 47 124.870 124.870 124.049 0.821 18301 5398 1 14 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.772 0.335 18301 5399 1 14 . 1 1 47 47 ALA C C 47 174.758 174.758 175.154 -0.396 18301 5400 1 14 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.618 -0.820 18301 5401 1 14 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.465 0.611 18301 5402 1 14 . 1 1 47 47 ALA H H 47 9.170 9.170 8.309 0.861 18301 5403 1 14 . 1 1 48 48 VAL N N 48 123.890 123.890 124.555 -0.665 18301 5404 1 14 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.507 0.065 18301 5405 1 14 . 1 1 48 48 VAL C C 48 176.217 176.217 174.415 1.802 18301 5406 1 14 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.538 1.106 18301 5407 1 14 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.868 -1.335 18301 5408 1 14 . 1 1 48 48 VAL H H 48 8.930 8.930 9.032 -0.102 18301 5409 1 14 . 1 1 49 49 ILE N N 49 129.890 129.890 128.884 1.006 18301 5410 1 14 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.389 0.451 18301 5411 1 14 . 1 1 49 49 ILE C C 49 174.619 174.619 175.005 -0.386 18301 5412 1 14 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.254 0.156 18301 5413 1 14 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.279 0.638 18301 5414 1 14 . 1 1 49 49 ILE H H 49 9.340 9.340 8.833 0.507 18301 5415 1 14 . 1 1 50 50 THR N N 50 125.910 125.910 124.456 1.454 18301 5416 1 14 . 1 1 50 50 THR HA H 50 5.486 5.486 4.941 0.545 18301 5417 1 14 . 1 1 50 50 THR C C 50 174.286 174.286 174.102 0.184 18301 5418 1 14 . 1 1 50 50 THR CA C 50 61.871 61.871 61.393 0.478 18301 5419 1 14 . 1 1 50 50 THR CB C 50 68.762 68.762 68.909 -0.147 18301 5420 1 14 . 1 1 50 50 THR H H 50 9.225 9.225 9.038 0.187 18301 5421 1 14 . 1 1 51 51 TYR N N 51 127.720 127.720 125.660 2.060 18301 5422 1 14 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.067 0.598 18301 5423 1 14 . 1 1 51 51 TYR C C 51 171.758 171.758 172.911 -1.153 18301 5424 1 14 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.475 -0.350 18301 5425 1 14 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.688 0.856 18301 5426 1 14 . 1 1 51 51 TYR H H 51 9.846 9.846 9.645 0.201 18301 5427 1 14 . 1 1 52 52 GLN N N 52 120.470 120.470 118.109 2.361 18301 5428 1 14 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.573 0.450 18301 5429 1 14 . 1 1 52 52 GLN C C 52 175.286 175.286 173.866 1.420 18301 5430 1 14 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.601 0.388 18301 5431 1 14 . 1 1 52 52 GLN H H 52 9.072 9.072 8.497 0.575 18301 5432 1 14 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.413 -0.695 18301 5433 1 14 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.120 0.284 18301 5434 1 14 . 1 1 54 54 TYR N N 54 114.650 114.650 117.441 -2.791 18301 5435 1 14 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.475 -0.074 18301 5436 1 14 . 1 1 54 54 TYR C C 54 175.689 175.689 175.236 0.453 18301 5437 1 14 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.941 -0.207 18301 5438 1 14 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.871 -1.299 18301 5439 1 14 . 1 1 54 54 TYR H H 54 8.158 8.158 8.211 -0.053 18301 5440 1 14 . 1 1 55 55 LEU N N 55 117.788 117.788 117.881 -0.093 18301 5441 1 14 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.414 -0.002 18301 5442 1 14 . 1 1 55 55 LEU C C 55 175.786 175.786 176.888 -1.102 18301 5443 1 14 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.845 0.194 18301 5444 1 14 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.436 2.433 18301 5445 1 14 . 1 1 55 55 LEU H H 55 7.968 7.968 7.320 0.648 18301 5446 1 14 . 1 1 56 56 ILE N N 56 121.565 121.565 118.255 3.310 18301 5447 1 14 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.379 0.042 18301 5448 1 14 . 1 1 56 56 ILE C C 56 170.396 170.396 174.473 -4.077 18301 5449 1 14 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.262 2.093 18301 5450 1 14 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.482 -0.695 18301 5451 1 14 . 1 1 56 56 ILE H H 56 8.211 8.211 7.711 0.500 18301 5452 1 14 . 1 1 57 57 GLN N N 57 119.400 119.400 124.011 -4.611 18301 5453 1 14 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.874 0.119 18301 5454 1 14 . 1 1 57 57 GLN C C 57 175.911 175.911 174.950 0.961 18301 5455 1 14 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.383 -2.136 18301 5456 1 14 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.297 0.587 18301 5457 1 14 . 1 1 57 57 GLN H H 57 7.953 7.953 8.648 -0.695 18301 5458 1 14 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.506 0.574 18301 5459 1 14 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.836 -0.036 18301 5460 1 14 . 1 1 59 59 GLU N N 59 116.700 116.700 118.806 -2.106 18301 5461 1 14 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.946 -0.369 18301 5462 1 14 . 1 1 59 59 GLU C C 59 177.634 177.634 178.691 -1.057 18301 5463 1 14 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.824 1.531 18301 5464 1 14 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.794 -0.387 18301 5465 1 14 . 1 1 59 59 GLU H H 59 9.588 9.588 8.647 0.941 18301 5466 1 14 . 1 1 60 60 ASP N N 60 116.670 116.670 118.775 -2.105 18301 5467 1 14 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.468 -0.197 18301 5468 1 14 . 1 1 60 60 ASP C C 60 178.898 178.898 178.509 0.389 18301 5469 1 14 . 1 1 60 60 ASP CA C 60 56.887 56.887 56.959 -0.072 18301 5470 1 14 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.366 0.360 18301 5471 1 14 . 1 1 60 60 ASP H H 60 6.994 6.994 8.279 -1.285 18301 5472 1 14 . 1 1 61 61 LEU N N 61 120.023 120.023 118.198 1.825 18301 5473 1 14 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.207 -0.448 18301 5474 1 14 . 1 1 61 61 LEU C C 61 177.009 177.009 178.367 -1.358 18301 5475 1 14 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.649 0.570 18301 5476 1 14 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.362 0.203 18301 5477 1 14 . 1 1 61 61 LEU H H 61 7.220 7.220 7.495 -0.275 18301 5478 1 14 . 1 1 62 62 ARG N N 62 117.758 117.758 119.183 -1.425 18301 5479 1 14 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.893 0.817 18301 5480 1 14 . 1 1 62 62 ARG C C 62 177.676 177.676 178.314 -0.638 18301 5481 1 14 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.564 -0.142 18301 5482 1 14 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.393 -0.422 18301 5483 1 14 . 1 1 62 62 ARG H H 62 8.034 8.034 7.962 0.072 18301 5484 1 14 . 1 1 63 63 ASP N N 63 119.490 119.490 117.946 1.544 18301 5485 1 14 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.423 -0.035 18301 5486 1 14 . 1 1 63 63 ASP C C 63 178.190 178.190 178.286 -0.096 18301 5487 1 14 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.076 0.584 18301 5488 1 14 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.661 -1.568 18301 5489 1 14 . 1 1 63 63 ASP H H 63 8.187 8.187 7.838 0.349 18301 5490 1 14 . 1 1 64 64 HIS N N 64 119.289 119.289 118.689 0.600 18301 5491 1 14 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.334 0.025 18301 5492 1 14 . 1 1 64 64 HIS C C 64 178.607 178.607 177.815 0.792 18301 5493 1 14 . 1 1 64 64 HIS CA C 64 60.324 60.324 59.044 1.280 18301 5494 1 14 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.827 0.573 18301 5495 1 14 . 1 1 64 64 HIS H H 64 8.250 8.250 7.445 0.805 18301 5496 1 14 . 1 1 65 65 VAL N N 65 119.590 119.590 119.975 -0.385 18301 5497 1 14 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.700 0.022 18301 5498 1 14 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.549 0.391 18301 5499 1 14 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.035 0.778 18301 5500 1 14 . 1 1 65 65 VAL H H 65 7.638 7.638 7.750 -0.112 18301 5501 1 14 . 1 1 66 66 ASN N N 66 121.680 121.680 117.724 3.956 18301 5502 1 14 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.639 0.511 18301 5503 1 14 . 1 1 66 66 ASN C C 66 180.454 180.454 177.279 3.175 18301 5504 1 14 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.753 -0.070 18301 5505 1 14 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.022 -0.036 18301 5506 1 14 . 1 1 66 66 ASN H H 66 8.461 8.461 7.822 0.639 18301 5507 1 14 . 1 1 67 67 ASP N N 67 120.750 120.750 120.121 0.629 18301 5508 1 14 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.387 0.053 18301 5509 1 14 . 1 1 67 67 ASP C C 67 177.537 177.537 177.067 0.470 18301 5510 1 14 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.068 0.560 18301 5511 1 14 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.557 -0.074 18301 5512 1 14 . 1 1 67 67 ASP H H 67 8.385 8.385 7.736 0.649 18301 5513 1 14 . 1 1 68 68 MET N N 68 116.510 116.510 116.030 0.480 18301 5514 1 14 . 1 1 68 68 MET HA H 68 4.287 4.287 4.238 0.049 18301 5515 1 14 . 1 1 68 68 MET C C 68 176.064 176.064 176.756 -0.692 18301 5516 1 14 . 1 1 68 68 MET CA C 68 56.672 56.672 54.853 1.819 18301 5517 1 14 . 1 1 68 68 MET CB C 68 33.933 33.933 32.711 1.222 18301 5518 1 14 . 1 1 68 68 MET H H 68 7.680 7.680 7.545 0.135 18301 5519 1 14 . 1 1 69 69 GLY N N 69 105.290 105.290 105.039 0.251 18301 5520 1 14 . 1 1 69 69 GLY C C 69 173.640 173.640 174.685 -1.045 18301 5521 1 14 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.244 -0.488 18301 5522 1 14 . 1 1 69 69 GLY H H 69 8.049 8.049 8.024 0.025 18301 5523 1 14 . 1 1 70 70 PHE N N 70 118.850 118.850 120.425 -1.575 18301 5524 1 14 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.705 0.031 18301 5525 1 14 . 1 1 70 70 PHE C C 70 172.772 172.772 175.143 -2.371 18301 5526 1 14 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.624 1.235 18301 5527 1 14 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.041 0.529 18301 5528 1 14 . 1 1 70 70 PHE H H 70 6.689 6.689 7.338 -0.649 18301 5529 1 14 . 1 1 71 71 GLU N N 71 118.550 118.550 119.607 -1.057 18301 5530 1 14 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.766 -0.056 18301 5531 1 14 . 1 1 71 71 GLU C C 71 175.370 175.370 175.125 0.245 18301 5532 1 14 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.198 0.701 18301 5533 1 14 . 1 1 71 71 GLU CB C 71 30.709 30.709 30.887 -0.178 18301 5534 1 14 . 1 1 71 71 GLU H H 71 8.030 8.030 8.802 -0.772 18301 5535 1 14 . 1 1 72 72 ALA N N 72 129.745 129.745 127.543 2.202 18301 5536 1 14 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.414 0.502 18301 5537 1 14 . 1 1 72 72 ALA C C 72 176.245 176.245 175.998 0.247 18301 5538 1 14 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.607 -0.938 18301 5539 1 14 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.568 0.927 18301 5540 1 14 . 1 1 72 72 ALA H H 72 9.580 9.580 8.616 0.964 18301 5541 1 14 . 1 1 73 73 ALA N N 73 121.581 121.581 125.753 -4.172 18301 5542 1 14 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.814 -0.293 18301 5543 1 14 . 1 1 73 73 ALA C C 73 176.162 176.162 176.438 -0.276 18301 5544 1 14 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.580 0.163 18301 5545 1 14 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.970 0.659 18301 5546 1 14 . 1 1 73 73 ALA H H 73 8.633 8.633 8.348 0.285 18301 5547 1 14 . 1 1 74 74 ILE N N 74 123.360 123.360 123.519 -0.159 18301 5548 1 14 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.794 0.200 18301 5549 1 14 . 1 1 74 74 ILE C C 74 176.217 176.217 177.344 -1.127 18301 5550 1 14 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.661 0.670 18301 5551 1 14 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.265 1.046 18301 5552 1 14 . 1 1 74 74 ILE H H 74 8.962 8.962 8.621 0.341 18301 5553 1 14 . 1 1 75 75 LYS N N 75 130.310 130.310 126.951 3.359 18301 5554 1 14 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.940 0.613 18301 5555 1 14 . 1 1 75 75 LYS C C 75 175.217 175.217 176.840 -1.623 18301 5556 1 14 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.923 -2.466 18301 5557 1 14 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.569 0.703 18301 5558 1 14 . 1 1 75 75 LYS H H 75 8.842 8.842 8.865 -0.023 18301 5559 1 15 . 1 1 4 4 MET N N 4 121.245 121.245 119.755 1.490 18301 5560 1 15 . 1 1 4 4 MET HA H 4 4.302 4.302 4.920 -0.618 18301 5561 1 15 . 1 1 4 4 MET C C 4 175.828 175.828 175.952 -0.124 18301 5562 1 15 . 1 1 4 4 MET CA C 4 56.414 56.414 54.866 1.548 18301 5563 1 15 . 1 1 4 4 MET CB C 4 32.361 32.361 32.548 -0.187 18301 5564 1 15 . 1 1 4 4 MET H H 4 8.363 8.363 8.503 -0.140 18301 5565 1 15 . 1 1 5 5 GLN N N 5 121.670 121.670 118.160 3.510 18301 5566 1 15 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.437 -0.187 18301 5567 1 15 . 1 1 5 5 GLN C C 5 175.245 175.245 175.685 -0.440 18301 5568 1 15 . 1 1 5 5 GLN CA C 5 56.500 56.500 55.313 1.187 18301 5569 1 15 . 1 1 5 5 GLN CB C 5 29.319 29.319 28.413 0.905 18301 5570 1 15 . 1 1 5 5 GLN H H 5 8.266 8.266 8.052 0.214 18301 5571 1 15 . 1 1 6 6 GLU N N 6 120.500 120.500 118.861 1.639 18301 5572 1 15 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.048 0.729 18301 5573 1 15 . 1 1 6 6 GLU C C 6 174.619 174.619 174.970 -0.351 18301 5574 1 15 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.071 -1.032 18301 5575 1 15 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.783 2.881 18301 5576 1 15 . 1 1 6 6 GLU H H 6 8.238 8.238 7.858 0.380 18301 5577 1 15 . 1 1 7 7 ALA N N 7 125.790 125.790 126.501 -0.711 18301 5578 1 15 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.697 -0.135 18301 5579 1 15 . 1 1 7 7 ALA C C 7 173.633 173.633 175.324 -1.691 18301 5580 1 15 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.701 -0.431 18301 5581 1 15 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.747 0.665 18301 5582 1 15 . 1 1 7 7 ALA H H 7 8.838 8.838 8.333 0.505 18301 5583 1 15 . 1 1 8 8 VAL N N 8 117.770 117.770 121.543 -3.773 18301 5584 1 15 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.051 0.315 18301 5585 1 15 . 1 1 8 8 VAL C C 8 176.717 176.717 175.424 1.293 18301 5586 1 15 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.793 -0.211 18301 5587 1 15 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.321 0.602 18301 5588 1 15 . 1 1 8 8 VAL H H 8 8.340 8.340 8.444 -0.104 18301 5589 1 15 . 1 1 9 9 VAL N N 9 128.140 128.140 126.940 1.200 18301 5590 1 15 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.460 0.365 18301 5591 1 15 . 1 1 9 9 VAL C C 9 170.910 170.910 174.205 -3.295 18301 5592 1 15 . 1 1 9 9 VAL CA C 9 59.121 59.121 61.084 -1.963 18301 5593 1 15 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.549 0.330 18301 5594 1 15 . 1 1 9 9 VAL H H 9 9.560 9.560 9.249 0.311 18301 5595 1 15 . 1 1 10 10 LYS N N 10 126.441 126.441 126.931 -0.490 18301 5596 1 15 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.176 0.220 18301 5597 1 15 . 1 1 10 10 LYS C C 10 175.078 175.078 175.488 -0.410 18301 5598 1 15 . 1 1 10 10 LYS CA C 10 54.395 54.395 55.178 -0.784 18301 5599 1 15 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.667 0.517 18301 5600 1 15 . 1 1 10 10 LYS H H 10 8.821 8.821 8.495 0.326 18301 5601 1 15 . 1 1 11 11 LEU N N 11 119.930 119.930 123.723 -3.793 18301 5602 1 15 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.852 0.519 18301 5603 1 15 . 1 1 11 11 LEU C C 11 177.801 177.801 175.633 2.168 18301 5604 1 15 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.597 -1.694 18301 5605 1 15 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.159 -2.245 18301 5606 1 15 . 1 1 11 11 LEU H H 11 9.277 9.277 9.183 0.094 18301 5607 1 15 . 1 1 12 12 ARG N N 12 125.200 125.200 121.434 3.766 18301 5608 1 15 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.447 0.457 18301 5609 1 15 . 1 1 12 12 ARG C C 12 175.773 175.773 175.636 0.137 18301 5610 1 15 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.790 -0.149 18301 5611 1 15 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.355 -0.342 18301 5612 1 15 . 1 1 12 12 ARG H H 12 9.300 9.300 8.752 0.548 18301 5613 1 15 . 1 1 13 13 VAL N N 13 126.780 126.780 125.964 0.816 18301 5614 1 15 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.377 0.134 18301 5615 1 15 . 1 1 13 13 VAL C C 13 174.564 174.564 175.904 -1.340 18301 5616 1 15 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.931 -1.146 18301 5617 1 15 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.715 0.991 18301 5618 1 15 . 1 1 13 13 VAL H H 13 8.110 8.110 8.378 -0.268 18301 5619 1 15 . 1 1 14 14 GLU N N 14 126.510 126.510 126.647 -0.137 18301 5620 1 15 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.327 0.338 18301 5621 1 15 . 1 1 14 14 GLU C C 14 176.426 176.426 177.714 -1.288 18301 5622 1 15 . 1 1 14 14 GLU CA C 14 55.383 55.383 57.005 -1.622 18301 5623 1 15 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.177 1.444 18301 5624 1 15 . 1 1 14 14 GLU H H 14 9.100 9.100 8.504 0.596 18301 5625 1 15 . 1 1 15 15 GLY N N 15 108.020 108.020 108.327 -0.307 18301 5626 1 15 . 1 1 15 15 GLY C C 15 175.884 175.884 175.415 0.469 18301 5627 1 15 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.623 -0.723 18301 5628 1 15 . 1 1 15 15 GLY H H 15 8.680 8.680 8.636 0.044 18301 5629 1 15 . 1 1 16 16 MET N N 16 120.590 120.590 118.544 2.046 18301 5630 1 15 . 1 1 16 16 MET HA H 16 4.880 4.880 3.922 0.958 18301 5631 1 15 . 1 1 16 16 MET C C 16 177.342 177.342 175.026 2.316 18301 5632 1 15 . 1 1 16 16 MET CA C 16 56.672 56.672 55.655 1.017 18301 5633 1 15 . 1 1 16 16 MET H H 16 9.033 9.033 8.244 0.789 18301 5634 1 15 . 1 1 17 17 THR N N 17 123.321 123.321 112.007 11.314 18301 5635 1 15 . 1 1 17 17 THR C C 17 176.231 176.231 175.339 0.892 18301 5636 1 15 . 1 1 17 17 THR CA C 17 57.114 57.114 63.032 -5.918 18301 5637 1 15 . 1 1 17 17 THR H H 17 8.591 8.591 7.935 0.656 18301 5638 1 15 . 1 1 18 18 CYS N N 18 120.560 120.560 118.243 2.317 18301 5639 1 15 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.158 0.902 18301 5640 1 15 . 1 1 18 18 CYS C C 18 174.467 174.467 175.766 -1.299 18301 5641 1 15 . 1 1 18 18 CYS CA C 18 57.500 57.500 60.451 -2.951 18301 5642 1 15 . 1 1 18 18 CYS CB C 18 30.996 30.996 26.914 4.082 18301 5643 1 15 . 1 1 18 18 CYS H H 18 8.809 8.809 8.474 0.335 18301 5644 1 15 . 1 1 20 20 SER N N 20 123.434 123.434 121.873 1.561 18301 5645 1 15 . 1 1 20 20 SER HA H 20 4.461 4.461 4.449 0.012 18301 5646 1 15 . 1 1 20 20 SER C C 20 177.009 177.009 174.975 2.034 18301 5647 1 15 . 1 1 20 20 SER CA C 20 62.214 62.214 57.668 4.546 18301 5648 1 15 . 1 1 20 20 SER H H 20 8.297 8.297 8.988 -0.691 18301 5649 1 15 . 1 1 21 21 CYS N N 21 125.740 125.740 119.995 5.745 18301 5650 1 15 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.180 -0.120 18301 5651 1 15 . 1 1 21 21 CYS C C 21 177.495 177.495 176.021 1.474 18301 5652 1 15 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.401 2.145 18301 5653 1 15 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.484 1.316 18301 5654 1 15 . 1 1 21 21 CYS H H 21 7.861 7.861 8.513 -0.652 18301 5655 1 15 . 1 1 22 22 VAL N N 22 118.130 118.130 121.179 -3.049 18301 5656 1 15 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.448 -0.238 18301 5657 1 15 . 1 1 22 22 VAL C C 22 177.843 177.843 177.985 -0.142 18301 5658 1 15 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.682 -0.257 18301 5659 1 15 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.324 0.210 18301 5660 1 15 . 1 1 22 22 VAL H H 22 6.860 6.860 8.063 -1.203 18301 5661 1 15 . 1 1 23 23 SER N N 23 112.820 112.820 113.793 -0.973 18301 5662 1 15 . 1 1 23 23 SER HA H 23 4.220 4.220 4.149 0.071 18301 5663 1 15 . 1 1 23 23 SER C C 23 178.162 178.162 176.320 1.842 18301 5664 1 15 . 1 1 23 23 SER CA C 23 61.398 61.398 61.809 -0.411 18301 5665 1 15 . 1 1 23 23 SER CB C 23 62.550 62.550 62.904 -0.354 18301 5666 1 15 . 1 1 23 23 SER H H 23 8.341 8.341 8.159 0.182 18301 5667 1 15 . 1 1 24 24 SER N N 24 119.341 119.341 118.056 1.285 18301 5668 1 15 . 1 1 24 24 SER HA H 24 4.859 4.859 4.253 0.606 18301 5669 1 15 . 1 1 24 24 SER C C 24 176.856 176.856 176.642 0.214 18301 5670 1 15 . 1 1 24 24 SER CA C 24 61.570 61.570 61.149 0.421 18301 5671 1 15 . 1 1 24 24 SER CB C 24 62.506 62.506 63.021 -0.515 18301 5672 1 15 . 1 1 24 24 SER H H 24 8.286 8.286 7.358 0.928 18301 5673 1 15 . 1 1 25 25 ILE N N 25 122.340 122.340 121.566 0.774 18301 5674 1 15 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.632 -0.040 18301 5675 1 15 . 1 1 25 25 ILE C C 25 177.912 177.912 177.429 0.483 18301 5676 1 15 . 1 1 25 25 ILE CA C 25 66.038 66.038 65.349 0.689 18301 5677 1 15 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.755 0.730 18301 5678 1 15 . 1 1 25 25 ILE H H 25 8.057 8.057 8.246 -0.189 18301 5679 1 15 . 1 1 26 26 GLU N N 26 117.081 117.081 119.788 -2.707 18301 5680 1 15 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.054 -0.499 18301 5681 1 15 . 1 1 26 26 GLU C C 26 178.523 178.523 179.156 -0.633 18301 5682 1 15 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.680 0.945 18301 5683 1 15 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.398 0.423 18301 5684 1 15 . 1 1 26 26 GLU H H 26 8.504 8.504 7.654 0.850 18301 5685 1 15 . 1 1 27 27 GLY N N 27 102.731 102.731 106.769 -4.038 18301 5686 1 15 . 1 1 27 27 GLY C C 27 175.925 175.925 176.300 -0.375 18301 5687 1 15 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.649 0.184 18301 5688 1 15 . 1 1 27 27 GLY H H 27 8.231 8.231 7.851 0.380 18301 5689 1 15 . 1 1 28 28 LYS N N 28 119.316 119.316 120.614 -1.298 18301 5690 1 15 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.131 -0.021 18301 5691 1 15 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.869 0.160 18301 5692 1 15 . 1 1 28 28 LYS CB C 28 32.916 32.916 31.989 0.927 18301 5693 1 15 . 1 1 28 28 LYS H H 28 7.640 7.640 7.386 0.254 18301 5694 1 15 . 1 1 29 29 VAL N N 29 118.845 118.845 118.630 0.215 18301 5695 1 15 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.797 -0.347 18301 5696 1 15 . 1 1 29 29 VAL C C 29 177.259 177.259 178.709 -1.450 18301 5697 1 15 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.619 0.118 18301 5698 1 15 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.125 0.192 18301 5699 1 15 . 1 1 29 29 VAL H H 29 8.577 8.577 7.659 0.918 18301 5700 1 15 . 1 1 30 30 ARG N N 30 115.480 115.480 118.270 -2.790 18301 5701 1 15 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.049 -0.229 18301 5702 1 15 . 1 1 30 30 ARG C C 30 176.717 176.717 177.476 -0.759 18301 5703 1 15 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.450 0.198 18301 5704 1 15 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.892 0.209 18301 5705 1 15 . 1 1 30 30 ARG H H 30 8.083 8.083 7.619 0.464 18301 5706 1 15 . 1 1 31 31 LYS N N 31 114.395 114.395 115.705 -1.310 18301 5707 1 15 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.296 -0.105 18301 5708 1 15 . 1 1 31 31 LYS C C 31 176.870 176.870 176.695 0.175 18301 5709 1 15 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.352 0.890 18301 5710 1 15 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.892 0.032 18301 5711 1 15 . 1 1 31 31 LYS H H 31 6.757 6.757 7.853 -1.096 18301 5712 1 15 . 1 1 32 32 LEU N N 32 121.290 121.290 121.994 -0.704 18301 5713 1 15 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.166 -0.071 18301 5714 1 15 . 1 1 32 32 LEU C C 32 177.398 177.398 177.395 0.003 18301 5715 1 15 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.903 -0.250 18301 5716 1 15 . 1 1 32 32 LEU CB C 32 41.308 41.308 42.199 -0.891 18301 5717 1 15 . 1 1 32 32 LEU H H 32 7.386 7.386 7.613 -0.227 18301 5718 1 15 . 1 1 33 33 GLN N N 33 124.330 124.330 122.511 1.819 18301 5719 1 15 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.244 -0.154 18301 5720 1 15 . 1 1 33 33 GLN C C 33 175.661 175.661 176.617 -0.956 18301 5721 1 15 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.199 -0.304 18301 5722 1 15 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.792 -0.715 18301 5723 1 15 . 1 1 33 33 GLN H H 33 8.650 8.650 8.502 0.148 18301 5724 1 15 . 1 1 34 34 GLY N N 34 109.990 109.990 108.466 1.524 18301 5725 1 15 . 1 1 34 34 GLY C C 34 173.911 173.911 174.995 -1.084 18301 5726 1 15 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.993 0.551 18301 5727 1 15 . 1 1 34 34 GLY H H 34 8.759 8.759 7.825 0.933 18301 5728 1 15 . 1 1 35 35 VAL N N 35 119.540 119.540 121.567 -2.027 18301 5729 1 15 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.983 -0.133 18301 5730 1 15 . 1 1 35 35 VAL C C 35 175.759 175.759 176.280 -0.521 18301 5731 1 15 . 1 1 35 35 VAL CA C 35 63.803 63.803 64.068 -0.265 18301 5732 1 15 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.856 -1.430 18301 5733 1 15 . 1 1 35 35 VAL H H 35 7.600 7.600 7.882 -0.282 18301 5734 1 15 . 1 1 36 36 VAL N N 36 130.030 130.030 126.525 3.505 18301 5735 1 15 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.211 -0.299 18301 5736 1 15 . 1 1 36 36 VAL C C 36 176.023 176.023 175.864 0.159 18301 5737 1 15 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.285 0.915 18301 5738 1 15 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.675 1.005 18301 5739 1 15 . 1 1 36 36 VAL H H 36 9.141 9.141 9.078 0.063 18301 5740 1 15 . 1 1 37 37 ARG N N 37 116.750 116.750 114.901 1.849 18301 5741 1 15 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.591 0.050 18301 5742 1 15 . 1 1 37 37 ARG C C 37 173.230 173.230 173.395 -0.165 18301 5743 1 15 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.339 0.242 18301 5744 1 15 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.496 -0.559 18301 5745 1 15 . 1 1 37 37 ARG H H 37 7.859 7.859 7.605 0.254 18301 5746 1 15 . 1 1 38 38 VAL N N 38 119.900 119.900 121.157 -1.257 18301 5747 1 15 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.688 0.291 18301 5748 1 15 . 1 1 38 38 VAL C C 38 171.841 171.841 174.905 -3.064 18301 5749 1 15 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.402 -0.765 18301 5750 1 15 . 1 1 38 38 VAL CB C 38 33.359 33.359 33.539 -0.180 18301 5751 1 15 . 1 1 38 38 VAL H H 38 8.785 8.785 8.412 0.373 18301 5752 1 15 . 1 1 39 39 LYS N N 39 126.750 126.750 128.979 -2.229 18301 5753 1 15 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.479 0.331 18301 5754 1 15 . 1 1 39 39 LYS C C 39 175.634 175.634 175.710 -0.076 18301 5755 1 15 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.968 -0.530 18301 5756 1 15 . 1 1 39 39 LYS CB C 39 35.357 35.357 33.007 2.350 18301 5757 1 15 . 1 1 39 39 LYS H H 39 8.360 8.360 8.184 0.176 18301 5758 1 15 . 1 1 40 40 VAL N N 40 131.410 131.410 121.537 9.873 18301 5759 1 15 . 1 1 40 40 VAL HA H 40 4.787 4.787 3.811 0.976 18301 5760 1 15 . 1 1 40 40 VAL C C 40 173.522 173.522 175.013 -1.491 18301 5761 1 15 . 1 1 40 40 VAL CA C 40 60.968 60.968 63.993 -3.025 18301 5762 1 15 . 1 1 40 40 VAL CB C 40 32.403 32.403 32.103 0.300 18301 5763 1 15 . 1 1 40 40 VAL H H 40 10.183 10.183 8.030 2.153 18301 5764 1 15 . 1 1 41 41 SER N N 41 120.470 120.470 122.471 -2.001 18301 5765 1 15 . 1 1 41 41 SER HA H 41 4.852 4.852 4.676 0.176 18301 5766 1 15 . 1 1 41 41 SER C C 41 175.217 175.217 174.363 0.854 18301 5767 1 15 . 1 1 41 41 SER CA C 41 55.039 55.039 56.156 -1.117 18301 5768 1 15 . 1 1 41 41 SER CB C 41 64.710 64.710 63.963 0.747 18301 5769 1 15 . 1 1 41 41 SER H H 41 8.868 8.868 8.090 0.778 18301 5770 1 15 . 1 1 42 42 LEU N N 42 130.390 130.390 130.435 -0.045 18301 5771 1 15 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.302 0.508 18301 5772 1 15 . 1 1 42 42 LEU C C 42 179.982 179.982 178.482 1.500 18301 5773 1 15 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.992 0.883 18301 5774 1 15 . 1 1 42 42 LEU CB C 42 42.030 42.030 42.188 -0.158 18301 5775 1 15 . 1 1 42 42 LEU H H 42 8.998 8.998 9.036 -0.038 18301 5776 1 15 . 1 1 44 44 ASN N N 44 116.079 116.079 118.553 -2.474 18301 5777 1 15 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.924 -0.080 18301 5778 1 15 . 1 1 44 44 ASN C C 44 173.786 173.786 173.913 -0.127 18301 5779 1 15 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.298 -0.008 18301 5780 1 15 . 1 1 44 44 ASN CB C 44 38.180 38.180 38.812 -0.632 18301 5781 1 15 . 1 1 44 44 ASN H H 44 7.812 7.812 7.514 0.298 18301 5782 1 15 . 1 1 45 45 GLN N N 45 117.658 117.658 113.122 4.536 18301 5783 1 15 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.879 -0.278 18301 5784 1 15 . 1 1 45 45 GLN C C 45 175.314 175.314 174.138 1.176 18301 5785 1 15 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.032 -0.102 18301 5786 1 15 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.363 -0.302 18301 5787 1 15 . 1 1 45 45 GLN H H 45 7.679 7.679 7.415 0.264 18301 5788 1 15 . 1 1 46 46 GLU N N 46 116.510 116.510 116.101 0.409 18301 5789 1 15 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.751 0.943 18301 5790 1 15 . 1 1 46 46 GLU C C 46 173.869 173.869 173.922 -0.053 18301 5791 1 15 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.877 0.518 18301 5792 1 15 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.057 1.474 18301 5793 1 15 . 1 1 46 46 GLU H H 46 7.780 7.780 7.835 -0.055 18301 5794 1 15 . 1 1 47 47 ALA N N 47 124.870 124.870 123.501 1.369 18301 5795 1 15 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.720 0.387 18301 5796 1 15 . 1 1 47 47 ALA C C 47 174.758 174.758 174.879 -0.121 18301 5797 1 15 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.711 -0.913 18301 5798 1 15 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.205 0.871 18301 5799 1 15 . 1 1 47 47 ALA H H 47 9.170 9.170 8.842 0.328 18301 5800 1 15 . 1 1 48 48 VAL N N 48 123.890 123.890 124.567 -0.677 18301 5801 1 15 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.604 -0.032 18301 5802 1 15 . 1 1 48 48 VAL C C 48 176.217 176.217 174.906 1.311 18301 5803 1 15 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.498 1.146 18301 5804 1 15 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.540 -1.007 18301 5805 1 15 . 1 1 48 48 VAL H H 48 8.930 8.930 8.753 0.177 18301 5806 1 15 . 1 1 49 49 ILE N N 49 129.890 129.890 129.690 0.200 18301 5807 1 15 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.431 0.409 18301 5808 1 15 . 1 1 49 49 ILE C C 49 174.619 174.619 174.895 -0.276 18301 5809 1 15 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.387 0.023 18301 5810 1 15 . 1 1 49 49 ILE CB C 49 40.917 40.917 39.635 1.282 18301 5811 1 15 . 1 1 49 49 ILE H H 49 9.340 9.340 9.368 -0.028 18301 5812 1 15 . 1 1 50 50 THR N N 50 125.910 125.910 124.659 1.251 18301 5813 1 15 . 1 1 50 50 THR HA H 50 5.486 5.486 4.815 0.671 18301 5814 1 15 . 1 1 50 50 THR C C 50 174.286 174.286 173.879 0.407 18301 5815 1 15 . 1 1 50 50 THR CA C 50 61.871 61.871 61.438 0.433 18301 5816 1 15 . 1 1 50 50 THR CB C 50 68.762 68.762 69.068 -0.306 18301 5817 1 15 . 1 1 50 50 THR H H 50 9.225 9.225 8.481 0.744 18301 5818 1 15 . 1 1 51 51 TYR N N 51 127.720 127.720 125.835 1.885 18301 5819 1 15 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.048 0.617 18301 5820 1 15 . 1 1 51 51 TYR C C 51 171.758 171.758 172.683 -0.925 18301 5821 1 15 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.324 -0.199 18301 5822 1 15 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.961 0.584 18301 5823 1 15 . 1 1 51 51 TYR H H 51 9.846 9.846 9.322 0.524 18301 5824 1 15 . 1 1 52 52 GLN N N 52 120.470 120.470 117.849 2.621 18301 5825 1 15 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.566 0.457 18301 5826 1 15 . 1 1 52 52 GLN C C 52 175.286 175.286 174.131 1.155 18301 5827 1 15 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.642 0.346 18301 5828 1 15 . 1 1 52 52 GLN H H 52 9.072 9.072 8.519 0.553 18301 5829 1 15 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.467 -0.749 18301 5830 1 15 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.143 0.260 18301 5831 1 15 . 1 1 54 54 TYR N N 54 114.650 114.650 117.694 -3.044 18301 5832 1 15 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.490 -0.089 18301 5833 1 15 . 1 1 54 54 TYR C C 54 175.689 175.689 175.264 0.425 18301 5834 1 15 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.972 -0.238 18301 5835 1 15 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.938 -1.366 18301 5836 1 15 . 1 1 54 54 TYR H H 54 8.158 8.158 8.220 -0.062 18301 5837 1 15 . 1 1 55 55 LEU N N 55 117.788 117.788 117.749 0.039 18301 5838 1 15 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.448 -0.036 18301 5839 1 15 . 1 1 55 55 LEU C C 55 175.786 175.786 176.863 -1.077 18301 5840 1 15 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.931 0.109 18301 5841 1 15 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.428 2.441 18301 5842 1 15 . 1 1 55 55 LEU H H 55 7.968 7.968 7.344 0.624 18301 5843 1 15 . 1 1 56 56 ILE N N 56 121.565 121.565 117.613 3.952 18301 5844 1 15 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.379 0.042 18301 5845 1 15 . 1 1 56 56 ILE C C 56 170.396 170.396 174.157 -3.761 18301 5846 1 15 . 1 1 56 56 ILE CA C 56 61.355 61.355 58.981 2.374 18301 5847 1 15 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.715 -0.928 18301 5848 1 15 . 1 1 56 56 ILE H H 56 8.211 8.211 7.804 0.407 18301 5849 1 15 . 1 1 57 57 GLN N N 57 119.400 119.400 124.360 -4.960 18301 5850 1 15 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.888 0.105 18301 5851 1 15 . 1 1 57 57 GLN C C 57 175.911 175.911 174.864 1.047 18301 5852 1 15 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.282 -2.035 18301 5853 1 15 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.391 0.493 18301 5854 1 15 . 1 1 57 57 GLN H H 57 7.953 7.953 8.719 -0.766 18301 5855 1 15 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.664 0.416 18301 5856 1 15 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.819 -0.019 18301 5857 1 15 . 1 1 59 59 GLU N N 59 116.700 116.700 117.858 -1.158 18301 5858 1 15 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.960 -0.383 18301 5859 1 15 . 1 1 59 59 GLU C C 59 177.634 177.634 178.219 -0.585 18301 5860 1 15 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.831 1.524 18301 5861 1 15 . 1 1 59 59 GLU CB C 59 28.407 28.407 29.113 -0.706 18301 5862 1 15 . 1 1 59 59 GLU H H 59 9.588 9.588 8.602 0.986 18301 5863 1 15 . 1 1 60 60 ASP N N 60 116.670 116.670 117.716 -1.046 18301 5864 1 15 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.422 -0.151 18301 5865 1 15 . 1 1 60 60 ASP C C 60 178.898 178.898 178.587 0.311 18301 5866 1 15 . 1 1 60 60 ASP CA C 60 56.887 56.887 56.901 -0.014 18301 5867 1 15 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.651 0.075 18301 5868 1 15 . 1 1 60 60 ASP H H 60 6.994 6.994 8.364 -1.370 18301 5869 1 15 . 1 1 61 61 LEU N N 61 120.023 120.023 117.398 2.625 18301 5870 1 15 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.196 -0.437 18301 5871 1 15 . 1 1 61 61 LEU C C 61 177.009 177.009 177.931 -0.922 18301 5872 1 15 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.615 0.604 18301 5873 1 15 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.402 0.163 18301 5874 1 15 . 1 1 61 61 LEU H H 61 7.220 7.220 7.505 -0.285 18301 5875 1 15 . 1 1 62 62 ARG N N 62 117.758 117.758 119.334 -1.576 18301 5876 1 15 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.912 0.798 18301 5877 1 15 . 1 1 62 62 ARG C C 62 177.676 177.676 178.020 -0.344 18301 5878 1 15 . 1 1 62 62 ARG CA C 62 59.422 59.422 58.806 0.616 18301 5879 1 15 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.288 -0.317 18301 5880 1 15 . 1 1 62 62 ARG H H 62 8.034 8.034 7.464 0.570 18301 5881 1 15 . 1 1 63 63 ASP N N 63 119.490 119.490 118.385 1.105 18301 5882 1 15 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.430 -0.042 18301 5883 1 15 . 1 1 63 63 ASP C C 63 178.190 178.190 178.419 -0.229 18301 5884 1 15 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.465 0.195 18301 5885 1 15 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.503 -1.410 18301 5886 1 15 . 1 1 63 63 ASP H H 63 8.187 8.187 7.760 0.427 18301 5887 1 15 . 1 1 64 64 HIS N N 64 119.289 119.289 119.705 -0.416 18301 5888 1 15 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.299 0.060 18301 5889 1 15 . 1 1 64 64 HIS C C 64 178.607 178.607 177.704 0.903 18301 5890 1 15 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.832 1.492 18301 5891 1 15 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.517 0.883 18301 5892 1 15 . 1 1 64 64 HIS H H 64 8.250 8.250 7.529 0.721 18301 5893 1 15 . 1 1 65 65 VAL N N 65 119.590 119.590 119.061 0.529 18301 5894 1 15 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.406 0.316 18301 5895 1 15 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.331 0.610 18301 5896 1 15 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.411 0.402 18301 5897 1 15 . 1 1 65 65 VAL H H 65 7.638 7.638 7.740 -0.102 18301 5898 1 15 . 1 1 66 66 ASN N N 66 121.680 121.680 117.342 4.338 18301 5899 1 15 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.630 0.520 18301 5900 1 15 . 1 1 66 66 ASN C C 66 180.454 180.454 177.133 3.321 18301 5901 1 15 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.607 0.076 18301 5902 1 15 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.380 -0.394 18301 5903 1 15 . 1 1 66 66 ASN H H 66 8.461 8.461 8.008 0.453 18301 5904 1 15 . 1 1 67 67 ASP N N 67 120.750 120.750 120.658 0.092 18301 5905 1 15 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.510 -0.070 18301 5906 1 15 . 1 1 67 67 ASP C C 67 177.537 177.537 177.486 0.051 18301 5907 1 15 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.341 0.287 18301 5908 1 15 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.974 -0.491 18301 5909 1 15 . 1 1 67 67 ASP H H 67 8.385 8.385 7.877 0.508 18301 5910 1 15 . 1 1 68 68 MET N N 68 116.510 116.510 115.995 0.515 18301 5911 1 15 . 1 1 68 68 MET HA H 68 4.287 4.287 4.292 -0.005 18301 5912 1 15 . 1 1 68 68 MET C C 68 176.064 176.064 177.001 -0.937 18301 5913 1 15 . 1 1 68 68 MET CA C 68 56.672 56.672 56.810 -0.138 18301 5914 1 15 . 1 1 68 68 MET CB C 68 33.933 33.933 33.275 0.658 18301 5915 1 15 . 1 1 68 68 MET H H 68 7.680 7.680 7.545 0.135 18301 5916 1 15 . 1 1 69 69 GLY N N 69 105.290 105.290 105.004 0.286 18301 5917 1 15 . 1 1 69 69 GLY C C 69 173.640 173.640 174.451 -0.811 18301 5918 1 15 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.163 -0.407 18301 5919 1 15 . 1 1 69 69 GLY H H 69 8.049 8.049 7.869 0.180 18301 5920 1 15 . 1 1 70 70 PHE N N 70 118.850 118.850 120.167 -1.317 18301 5921 1 15 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.831 -0.095 18301 5922 1 15 . 1 1 70 70 PHE C C 70 172.772 172.772 174.434 -1.662 18301 5923 1 15 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.942 0.917 18301 5924 1 15 . 1 1 70 70 PHE CB C 70 40.570 40.570 41.616 -1.046 18301 5925 1 15 . 1 1 70 70 PHE H H 70 6.689 6.689 7.767 -1.078 18301 5926 1 15 . 1 1 71 71 GLU N N 71 118.550 118.550 120.365 -1.815 18301 5927 1 15 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.706 0.004 18301 5928 1 15 . 1 1 71 71 GLU C C 71 175.370 175.370 175.162 0.208 18301 5929 1 15 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.341 0.558 18301 5930 1 15 . 1 1 71 71 GLU CB C 71 30.709 30.709 30.525 0.184 18301 5931 1 15 . 1 1 71 71 GLU H H 71 8.030 8.030 8.835 -0.805 18301 5932 1 15 . 1 1 72 72 ALA N N 72 129.745 129.745 127.289 2.456 18301 5933 1 15 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.330 0.586 18301 5934 1 15 . 1 1 72 72 ALA C C 72 176.245 176.245 175.931 0.314 18301 5935 1 15 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.553 -0.884 18301 5936 1 15 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.601 0.894 18301 5937 1 15 . 1 1 72 72 ALA H H 72 9.580 9.580 8.570 1.010 18301 5938 1 15 . 1 1 73 73 ALA N N 73 121.581 121.581 125.501 -3.920 18301 5939 1 15 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.827 -0.306 18301 5940 1 15 . 1 1 73 73 ALA C C 73 176.162 176.162 176.214 -0.052 18301 5941 1 15 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.411 0.332 18301 5942 1 15 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.094 0.535 18301 5943 1 15 . 1 1 73 73 ALA H H 73 8.633 8.633 8.423 0.210 18301 5944 1 15 . 1 1 74 74 ILE N N 74 123.360 123.360 124.362 -1.002 18301 5945 1 15 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.872 0.122 18301 5946 1 15 . 1 1 74 74 ILE C C 74 176.217 176.217 177.152 -0.935 18301 5947 1 15 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.419 0.912 18301 5948 1 15 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.653 0.658 18301 5949 1 15 . 1 1 74 74 ILE H H 74 8.962 8.962 8.734 0.228 18301 5950 1 15 . 1 1 75 75 LYS N N 75 130.310 130.310 128.368 1.942 18301 5951 1 15 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.002 0.551 18301 5952 1 15 . 1 1 75 75 LYS C C 75 175.217 175.217 176.370 -1.153 18301 5953 1 15 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.554 -2.097 18301 5954 1 15 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.785 0.487 18301 5955 1 15 . 1 1 75 75 LYS H H 75 8.842 8.842 8.369 0.473 18301 5956 1 16 . 1 1 4 4 MET N N 4 121.245 121.245 112.108 9.137 18301 5957 1 16 . 1 1 4 4 MET HA H 4 4.302 4.302 4.059 0.243 18301 5958 1 16 . 1 1 4 4 MET C C 4 175.828 175.828 176.002 -0.174 18301 5959 1 16 . 1 1 4 4 MET CA C 4 56.414 56.414 56.047 0.367 18301 5960 1 16 . 1 1 4 4 MET CB C 4 32.361 32.361 29.337 3.024 18301 5961 1 16 . 1 1 4 4 MET H H 4 8.363 8.363 8.281 0.082 18301 5962 1 16 . 1 1 5 5 GLN N N 5 121.670 121.670 115.988 5.682 18301 5963 1 16 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.195 0.055 18301 5964 1 16 . 1 1 5 5 GLN C C 5 175.245 175.245 175.818 -0.573 18301 5965 1 16 . 1 1 5 5 GLN CA C 5 56.500 56.500 57.050 -0.550 18301 5966 1 16 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.627 -0.308 18301 5967 1 16 . 1 1 5 5 GLN H H 5 8.266 8.266 7.762 0.504 18301 5968 1 16 . 1 1 6 6 GLU N N 6 120.500 120.500 118.422 2.078 18301 5969 1 16 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.071 0.706 18301 5970 1 16 . 1 1 6 6 GLU C C 6 174.619 174.619 175.020 -0.401 18301 5971 1 16 . 1 1 6 6 GLU CA C 6 55.039 55.039 55.968 -0.929 18301 5972 1 16 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.970 2.694 18301 5973 1 16 . 1 1 6 6 GLU H H 6 8.238 8.238 7.796 0.442 18301 5974 1 16 . 1 1 7 7 ALA N N 7 125.790 125.790 126.701 -0.911 18301 5975 1 16 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.728 -0.166 18301 5976 1 16 . 1 1 7 7 ALA C C 7 173.633 173.633 175.406 -1.773 18301 5977 1 16 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.765 -0.495 18301 5978 1 16 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.745 0.667 18301 5979 1 16 . 1 1 7 7 ALA H H 7 8.838 8.838 8.067 0.771 18301 5980 1 16 . 1 1 8 8 VAL N N 8 117.770 117.770 120.922 -3.152 18301 5981 1 16 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.917 0.449 18301 5982 1 16 . 1 1 8 8 VAL C C 8 176.717 176.717 175.362 1.355 18301 5983 1 16 . 1 1 8 8 VAL CA C 8 60.582 60.582 61.107 -0.525 18301 5984 1 16 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.670 0.252 18301 5985 1 16 . 1 1 8 8 VAL H H 8 8.340 8.340 8.406 -0.066 18301 5986 1 16 . 1 1 9 9 VAL N N 9 128.140 128.140 126.072 2.068 18301 5987 1 16 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.461 0.364 18301 5988 1 16 . 1 1 9 9 VAL C C 9 170.910 170.910 174.267 -3.357 18301 5989 1 16 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.768 -1.647 18301 5990 1 16 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.989 -0.110 18301 5991 1 16 . 1 1 9 9 VAL H H 9 9.560 9.560 9.171 0.389 18301 5992 1 16 . 1 1 10 10 LYS N N 10 126.441 126.441 125.863 0.578 18301 5993 1 16 . 1 1 10 10 LYS HA H 10 5.396 5.396 4.994 0.402 18301 5994 1 16 . 1 1 10 10 LYS C C 10 175.078 175.078 175.044 0.034 18301 5995 1 16 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.590 -0.195 18301 5996 1 16 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.533 0.651 18301 5997 1 16 . 1 1 10 10 LYS H H 10 8.821 8.821 8.454 0.367 18301 5998 1 16 . 1 1 11 11 LEU N N 11 119.930 119.930 123.371 -3.441 18301 5999 1 16 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.722 0.649 18301 6000 1 16 . 1 1 11 11 LEU C C 11 177.801 177.801 175.546 2.255 18301 6001 1 16 . 1 1 11 11 LEU CA C 11 51.903 51.903 54.067 -2.164 18301 6002 1 16 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.454 -2.540 18301 6003 1 16 . 1 1 11 11 LEU H H 11 9.277 9.277 9.094 0.183 18301 6004 1 16 . 1 1 12 12 ARG N N 12 125.200 125.200 120.915 4.285 18301 6005 1 16 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.631 0.273 18301 6006 1 16 . 1 1 12 12 ARG C C 12 175.773 175.773 175.350 0.423 18301 6007 1 16 . 1 1 12 12 ARG CA C 12 55.641 55.641 54.848 0.793 18301 6008 1 16 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.385 -0.372 18301 6009 1 16 . 1 1 12 12 ARG H H 12 9.300 9.300 8.280 1.020 18301 6010 1 16 . 1 1 13 13 VAL N N 13 126.780 126.780 127.579 -0.799 18301 6011 1 16 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.098 0.413 18301 6012 1 16 . 1 1 13 13 VAL C C 13 174.564 174.564 175.575 -1.011 18301 6013 1 16 . 1 1 13 13 VAL CA C 13 61.785 61.785 63.036 -1.251 18301 6014 1 16 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.330 1.377 18301 6015 1 16 . 1 1 13 13 VAL H H 13 8.110 8.110 7.989 0.121 18301 6016 1 16 . 1 1 14 14 GLU N N 14 126.510 126.510 124.792 1.718 18301 6017 1 16 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.493 0.172 18301 6018 1 16 . 1 1 14 14 GLU C C 14 176.426 176.426 177.385 -0.959 18301 6019 1 16 . 1 1 14 14 GLU CA C 14 55.383 55.383 55.935 -0.552 18301 6020 1 16 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.330 1.291 18301 6021 1 16 . 1 1 14 14 GLU H H 14 9.100 9.100 8.832 0.268 18301 6022 1 16 . 1 1 15 15 GLY N N 15 108.020 108.020 106.516 1.504 18301 6023 1 16 . 1 1 15 15 GLY C C 15 175.884 175.884 175.161 0.723 18301 6024 1 16 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.409 -0.509 18301 6025 1 16 . 1 1 15 15 GLY H H 15 8.680 8.680 8.239 0.441 18301 6026 1 16 . 1 1 16 16 MET N N 16 120.590 120.590 118.755 1.835 18301 6027 1 16 . 1 1 16 16 MET HA H 16 4.880 4.880 4.406 0.474 18301 6028 1 16 . 1 1 16 16 MET C C 16 177.342 177.342 176.163 1.179 18301 6029 1 16 . 1 1 16 16 MET CA C 16 56.672 56.672 57.452 -0.780 18301 6030 1 16 . 1 1 16 16 MET H H 16 9.033 9.033 7.740 1.293 18301 6031 1 16 . 1 1 17 17 THR N N 17 123.321 123.321 109.026 14.295 18301 6032 1 16 . 1 1 17 17 THR C C 17 176.231 176.231 173.547 2.684 18301 6033 1 16 . 1 1 17 17 THR CA C 17 57.114 57.114 62.939 -5.825 18301 6034 1 16 . 1 1 17 17 THR H H 17 8.591 8.591 8.032 0.559 18301 6035 1 16 . 1 1 18 18 CYS N N 18 120.560 120.560 117.655 2.905 18301 6036 1 16 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.121 0.939 18301 6037 1 16 . 1 1 18 18 CYS C C 18 174.467 174.467 173.844 0.623 18301 6038 1 16 . 1 1 18 18 CYS CA C 18 57.500 57.500 59.542 -2.042 18301 6039 1 16 . 1 1 18 18 CYS CB C 18 30.996 30.996 27.134 3.862 18301 6040 1 16 . 1 1 18 18 CYS H H 18 8.809 8.809 8.303 0.506 18301 6041 1 16 . 1 1 20 20 SER N N 20 123.434 123.434 117.697 5.737 18301 6042 1 16 . 1 1 20 20 SER HA H 20 4.461 4.461 4.720 -0.259 18301 6043 1 16 . 1 1 20 20 SER C C 20 177.009 177.009 175.803 1.206 18301 6044 1 16 . 1 1 20 20 SER CA C 20 62.214 62.214 58.258 3.957 18301 6045 1 16 . 1 1 20 20 SER H H 20 8.297 8.297 8.849 -0.552 18301 6046 1 16 . 1 1 21 21 CYS N N 21 125.740 125.740 120.640 5.100 18301 6047 1 16 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.285 -0.225 18301 6048 1 16 . 1 1 21 21 CYS C C 21 177.495 177.495 176.351 1.144 18301 6049 1 16 . 1 1 21 21 CYS CA C 21 63.546 63.546 62.386 1.160 18301 6050 1 16 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.407 1.393 18301 6051 1 16 . 1 1 21 21 CYS H H 21 7.861 7.861 8.589 -0.728 18301 6052 1 16 . 1 1 22 22 VAL N N 22 118.130 118.130 121.232 -3.102 18301 6053 1 16 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.433 -0.223 18301 6054 1 16 . 1 1 22 22 VAL C C 22 177.843 177.843 178.036 -0.193 18301 6055 1 16 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.872 -0.447 18301 6056 1 16 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.519 0.015 18301 6057 1 16 . 1 1 22 22 VAL H H 22 6.860 6.860 8.158 -1.298 18301 6058 1 16 . 1 1 23 23 SER N N 23 112.820 112.820 113.370 -0.550 18301 6059 1 16 . 1 1 23 23 SER HA H 23 4.220 4.220 4.178 0.042 18301 6060 1 16 . 1 1 23 23 SER C C 23 178.162 178.162 176.597 1.565 18301 6061 1 16 . 1 1 23 23 SER CA C 23 61.398 61.398 61.709 -0.311 18301 6062 1 16 . 1 1 23 23 SER CB C 23 62.550 62.550 62.526 0.024 18301 6063 1 16 . 1 1 23 23 SER H H 23 8.341 8.341 7.849 0.492 18301 6064 1 16 . 1 1 24 24 SER N N 24 119.341 119.341 117.830 1.511 18301 6065 1 16 . 1 1 24 24 SER HA H 24 4.859 4.859 4.300 0.559 18301 6066 1 16 . 1 1 24 24 SER C C 24 176.856 176.856 176.911 -0.055 18301 6067 1 16 . 1 1 24 24 SER CA C 24 61.570 61.570 61.235 0.335 18301 6068 1 16 . 1 1 24 24 SER CB C 24 62.506 62.506 63.023 -0.517 18301 6069 1 16 . 1 1 24 24 SER H H 24 8.286 8.286 7.756 0.530 18301 6070 1 16 . 1 1 25 25 ILE N N 25 122.340 122.340 122.754 -0.414 18301 6071 1 16 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.739 -0.147 18301 6072 1 16 . 1 1 25 25 ILE C C 25 177.912 177.912 177.548 0.364 18301 6073 1 16 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.738 1.300 18301 6074 1 16 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.452 1.033 18301 6075 1 16 . 1 1 25 25 ILE H H 25 8.057 8.057 8.301 -0.244 18301 6076 1 16 . 1 1 26 26 GLU N N 26 117.081 117.081 119.995 -2.914 18301 6077 1 16 . 1 1 26 26 GLU HA H 26 3.555 3.555 3.932 -0.377 18301 6078 1 16 . 1 1 26 26 GLU C C 26 178.523 178.523 179.154 -0.631 18301 6079 1 16 . 1 1 26 26 GLU CA C 26 60.625 60.625 60.081 0.544 18301 6080 1 16 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.254 0.567 18301 6081 1 16 . 1 1 26 26 GLU H H 26 8.504 8.504 8.048 0.456 18301 6082 1 16 . 1 1 27 27 GLY N N 27 102.731 102.731 106.146 -3.415 18301 6083 1 16 . 1 1 27 27 GLY C C 27 175.925 175.925 176.178 -0.253 18301 6084 1 16 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.671 0.162 18301 6085 1 16 . 1 1 27 27 GLY H H 27 8.231 8.231 7.811 0.420 18301 6086 1 16 . 1 1 28 28 LYS N N 28 119.316 119.316 121.892 -2.576 18301 6087 1 16 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.103 0.007 18301 6088 1 16 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.342 0.687 18301 6089 1 16 . 1 1 28 28 LYS CB C 28 32.916 32.916 31.841 1.075 18301 6090 1 16 . 1 1 28 28 LYS H H 28 7.640 7.640 7.587 0.053 18301 6091 1 16 . 1 1 29 29 VAL N N 29 118.845 118.845 119.492 -0.647 18301 6092 1 16 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.699 -0.249 18301 6093 1 16 . 1 1 29 29 VAL C C 29 177.259 177.259 178.085 -0.826 18301 6094 1 16 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.529 0.208 18301 6095 1 16 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.874 -0.557 18301 6096 1 16 . 1 1 29 29 VAL H H 29 8.577 8.577 7.676 0.901 18301 6097 1 16 . 1 1 30 30 ARG N N 30 115.480 115.480 117.524 -2.044 18301 6098 1 16 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.075 -0.255 18301 6099 1 16 . 1 1 30 30 ARG C C 30 176.717 176.717 177.006 -0.289 18301 6100 1 16 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.344 0.304 18301 6101 1 16 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.119 -0.018 18301 6102 1 16 . 1 1 30 30 ARG H H 30 8.083 8.083 7.613 0.470 18301 6103 1 16 . 1 1 31 31 LYS N N 31 114.395 114.395 116.263 -1.868 18301 6104 1 16 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.273 -0.082 18301 6105 1 16 . 1 1 31 31 LYS C C 31 176.870 176.870 177.069 -0.199 18301 6106 1 16 . 1 1 31 31 LYS CA C 31 56.242 56.242 56.638 -0.396 18301 6107 1 16 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.555 0.369 18301 6108 1 16 . 1 1 31 31 LYS H H 31 6.757 6.757 7.687 -0.930 18301 6109 1 16 . 1 1 32 32 LEU N N 32 121.290 121.290 122.619 -1.329 18301 6110 1 16 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.170 -0.075 18301 6111 1 16 . 1 1 32 32 LEU C C 32 177.398 177.398 177.215 0.183 18301 6112 1 16 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.948 -0.295 18301 6113 1 16 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.812 -0.504 18301 6114 1 16 . 1 1 32 32 LEU H H 32 7.386 7.386 7.447 -0.061 18301 6115 1 16 . 1 1 33 33 GLN N N 33 124.330 124.330 123.824 0.506 18301 6116 1 16 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.227 -0.137 18301 6117 1 16 . 1 1 33 33 GLN C C 33 175.661 175.661 177.588 -1.927 18301 6118 1 16 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.637 -0.742 18301 6119 1 16 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.092 -1.015 18301 6120 1 16 . 1 1 33 33 GLN H H 33 8.650 8.650 8.501 0.149 18301 6121 1 16 . 1 1 34 34 GLY N N 34 109.990 109.990 107.864 2.126 18301 6122 1 16 . 1 1 34 34 GLY C C 34 173.911 173.911 175.200 -1.289 18301 6123 1 16 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.958 -0.414 18301 6124 1 16 . 1 1 34 34 GLY H H 34 8.759 8.759 8.087 0.672 18301 6125 1 16 . 1 1 35 35 VAL N N 35 119.540 119.540 121.219 -1.679 18301 6126 1 16 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.915 -0.065 18301 6127 1 16 . 1 1 35 35 VAL C C 35 175.759 175.759 176.090 -0.331 18301 6128 1 16 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.880 -0.077 18301 6129 1 16 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.785 -1.359 18301 6130 1 16 . 1 1 35 35 VAL H H 35 7.600 7.600 7.751 -0.151 18301 6131 1 16 . 1 1 36 36 VAL N N 36 130.030 130.030 125.397 4.633 18301 6132 1 16 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.047 -0.135 18301 6133 1 16 . 1 1 36 36 VAL C C 36 176.023 176.023 176.027 -0.004 18301 6134 1 16 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.576 0.624 18301 6135 1 16 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.271 1.409 18301 6136 1 16 . 1 1 36 36 VAL H H 36 9.141 9.141 8.728 0.413 18301 6137 1 16 . 1 1 37 37 ARG N N 37 116.750 116.750 115.664 1.086 18301 6138 1 16 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.535 0.106 18301 6139 1 16 . 1 1 37 37 ARG C C 37 173.230 173.230 173.396 -0.166 18301 6140 1 16 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.451 0.130 18301 6141 1 16 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.407 -0.470 18301 6142 1 16 . 1 1 37 37 ARG H H 37 7.859 7.859 7.673 0.186 18301 6143 1 16 . 1 1 38 38 VAL N N 38 119.900 119.900 120.597 -0.697 18301 6144 1 16 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.699 0.280 18301 6145 1 16 . 1 1 38 38 VAL C C 38 171.841 171.841 174.175 -2.334 18301 6146 1 16 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.489 -0.852 18301 6147 1 16 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.757 -1.398 18301 6148 1 16 . 1 1 38 38 VAL H H 38 8.785 8.785 8.679 0.106 18301 6149 1 16 . 1 1 39 39 LYS N N 39 126.750 126.750 129.902 -3.152 18301 6150 1 16 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.716 0.094 18301 6151 1 16 . 1 1 39 39 LYS C C 39 175.634 175.634 174.404 1.230 18301 6152 1 16 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.091 0.347 18301 6153 1 16 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.402 0.955 18301 6154 1 16 . 1 1 39 39 LYS H H 39 8.360 8.360 8.798 -0.438 18301 6155 1 16 . 1 1 40 40 VAL N N 40 131.410 131.410 125.749 5.661 18301 6156 1 16 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.360 0.427 18301 6157 1 16 . 1 1 40 40 VAL C C 40 173.522 173.522 175.019 -1.497 18301 6158 1 16 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.000 -0.032 18301 6159 1 16 . 1 1 40 40 VAL CB C 40 32.403 32.403 34.310 -1.907 18301 6160 1 16 . 1 1 40 40 VAL H H 40 10.183 10.183 8.568 1.615 18301 6161 1 16 . 1 1 41 41 SER N N 41 120.470 120.470 120.450 0.020 18301 6162 1 16 . 1 1 41 41 SER HA H 41 4.852 4.852 4.836 0.016 18301 6163 1 16 . 1 1 41 41 SER C C 41 175.217 175.217 174.719 0.498 18301 6164 1 16 . 1 1 41 41 SER CA C 41 55.039 55.039 55.812 -0.773 18301 6165 1 16 . 1 1 41 41 SER CB C 41 64.710 64.710 63.420 1.290 18301 6166 1 16 . 1 1 41 41 SER H H 41 8.868 8.868 8.500 0.368 18301 6167 1 16 . 1 1 42 42 LEU N N 42 130.390 130.390 127.537 2.853 18301 6168 1 16 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.423 0.387 18301 6169 1 16 . 1 1 42 42 LEU C C 42 179.982 179.982 177.511 2.471 18301 6170 1 16 . 1 1 42 42 LEU CA C 42 57.875 57.875 57.163 0.712 18301 6171 1 16 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.686 0.344 18301 6172 1 16 . 1 1 42 42 LEU H H 42 8.998 8.998 8.712 0.286 18301 6173 1 16 . 1 1 44 44 ASN N N 44 116.079 116.079 118.630 -2.551 18301 6174 1 16 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.847 -0.003 18301 6175 1 16 . 1 1 44 44 ASN C C 44 173.786 173.786 174.333 -0.547 18301 6176 1 16 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.405 -0.115 18301 6177 1 16 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.035 -0.855 18301 6178 1 16 . 1 1 44 44 ASN H H 44 7.812 7.812 7.444 0.368 18301 6179 1 16 . 1 1 45 45 GLN N N 45 117.658 117.658 114.378 3.280 18301 6180 1 16 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.895 -0.294 18301 6181 1 16 . 1 1 45 45 GLN C C 45 175.314 175.314 173.816 1.498 18301 6182 1 16 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.258 -0.328 18301 6183 1 16 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.234 -0.173 18301 6184 1 16 . 1 1 45 45 GLN H H 45 7.679 7.679 7.793 -0.114 18301 6185 1 16 . 1 1 46 46 GLU N N 46 116.510 116.510 115.861 0.649 18301 6186 1 16 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.842 0.852 18301 6187 1 16 . 1 1 46 46 GLU C C 46 173.869 173.869 173.833 0.036 18301 6188 1 16 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.927 0.468 18301 6189 1 16 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.241 1.290 18301 6190 1 16 . 1 1 46 46 GLU H H 46 7.780 7.780 7.829 -0.049 18301 6191 1 16 . 1 1 47 47 ALA N N 47 124.870 124.870 122.425 2.445 18301 6192 1 16 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.699 0.408 18301 6193 1 16 . 1 1 47 47 ALA C C 47 174.758 174.758 175.023 -0.265 18301 6194 1 16 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.851 -1.053 18301 6195 1 16 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.749 0.327 18301 6196 1 16 . 1 1 47 47 ALA H H 47 9.170 9.170 9.043 0.127 18301 6197 1 16 . 1 1 48 48 VAL N N 48 123.890 123.890 125.280 -1.390 18301 6198 1 16 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.714 -0.142 18301 6199 1 16 . 1 1 48 48 VAL C C 48 176.217 176.217 174.820 1.397 18301 6200 1 16 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.636 1.008 18301 6201 1 16 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.718 -1.185 18301 6202 1 16 . 1 1 48 48 VAL H H 48 8.930 8.930 8.927 0.003 18301 6203 1 16 . 1 1 49 49 ILE N N 49 129.890 129.890 128.977 0.913 18301 6204 1 16 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.446 0.394 18301 6205 1 16 . 1 1 49 49 ILE C C 49 174.619 174.619 175.119 -0.500 18301 6206 1 16 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.358 0.052 18301 6207 1 16 . 1 1 49 49 ILE CB C 49 40.917 40.917 39.541 1.376 18301 6208 1 16 . 1 1 49 49 ILE H H 49 9.340 9.340 9.330 0.010 18301 6209 1 16 . 1 1 50 50 THR N N 50 125.910 125.910 124.709 1.201 18301 6210 1 16 . 1 1 50 50 THR HA H 50 5.486 5.486 4.755 0.731 18301 6211 1 16 . 1 1 50 50 THR C C 50 174.286 174.286 173.748 0.538 18301 6212 1 16 . 1 1 50 50 THR CA C 50 61.871 61.871 62.616 -0.745 18301 6213 1 16 . 1 1 50 50 THR CB C 50 68.762 68.762 69.329 -0.567 18301 6214 1 16 . 1 1 50 50 THR H H 50 9.225 9.225 8.989 0.236 18301 6215 1 16 . 1 1 51 51 TYR N N 51 127.720 127.720 125.990 1.730 18301 6216 1 16 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.980 0.685 18301 6217 1 16 . 1 1 51 51 TYR C C 51 171.758 171.758 172.758 -1.000 18301 6218 1 16 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.616 -0.491 18301 6219 1 16 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.413 1.131 18301 6220 1 16 . 1 1 51 51 TYR H H 51 9.846 9.846 9.358 0.488 18301 6221 1 16 . 1 1 52 52 GLN N N 52 120.470 120.470 117.888 2.582 18301 6222 1 16 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.564 0.459 18301 6223 1 16 . 1 1 52 52 GLN C C 52 175.286 175.286 173.918 1.368 18301 6224 1 16 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.813 0.176 18301 6225 1 16 . 1 1 52 52 GLN H H 52 9.072 9.072 8.453 0.619 18301 6226 1 16 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.470 -0.752 18301 6227 1 16 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.154 0.249 18301 6228 1 16 . 1 1 54 54 TYR N N 54 114.650 114.650 117.393 -2.743 18301 6229 1 16 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.474 -0.073 18301 6230 1 16 . 1 1 54 54 TYR C C 54 175.689 175.689 175.239 0.450 18301 6231 1 16 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.023 -0.289 18301 6232 1 16 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.866 -1.294 18301 6233 1 16 . 1 1 54 54 TYR H H 54 8.158 8.158 8.210 -0.052 18301 6234 1 16 . 1 1 55 55 LEU N N 55 117.788 117.788 117.802 -0.014 18301 6235 1 16 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.423 -0.011 18301 6236 1 16 . 1 1 55 55 LEU C C 55 175.786 175.786 176.866 -1.080 18301 6237 1 16 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.877 0.162 18301 6238 1 16 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.462 2.407 18301 6239 1 16 . 1 1 55 55 LEU H H 55 7.968 7.968 7.328 0.640 18301 6240 1 16 . 1 1 56 56 ILE N N 56 121.565 121.565 118.239 3.326 18301 6241 1 16 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.374 0.047 18301 6242 1 16 . 1 1 56 56 ILE C C 56 170.396 170.396 174.254 -3.858 18301 6243 1 16 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.342 2.013 18301 6244 1 16 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.089 -0.302 18301 6245 1 16 . 1 1 56 56 ILE H H 56 8.211 8.211 7.737 0.474 18301 6246 1 16 . 1 1 57 57 GLN N N 57 119.400 119.400 124.673 -5.273 18301 6247 1 16 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.851 0.142 18301 6248 1 16 . 1 1 57 57 GLN C C 57 175.911 175.911 174.729 1.182 18301 6249 1 16 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.885 -2.638 18301 6250 1 16 . 1 1 57 57 GLN CB C 57 29.884 29.884 28.581 1.303 18301 6251 1 16 . 1 1 57 57 GLN H H 57 7.953 7.953 8.663 -0.710 18301 6252 1 16 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.638 0.442 18301 6253 1 16 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.893 -0.093 18301 6254 1 16 . 1 1 59 59 GLU N N 59 116.700 116.700 119.168 -2.468 18301 6255 1 16 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.967 -0.390 18301 6256 1 16 . 1 1 59 59 GLU C C 59 177.634 177.634 178.200 -0.566 18301 6257 1 16 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.849 1.506 18301 6258 1 16 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.974 -0.567 18301 6259 1 16 . 1 1 59 59 GLU H H 59 9.588 9.588 8.641 0.947 18301 6260 1 16 . 1 1 60 60 ASP N N 60 116.670 116.670 118.516 -1.846 18301 6261 1 16 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.406 -0.135 18301 6262 1 16 . 1 1 60 60 ASP C C 60 178.898 178.898 178.453 0.445 18301 6263 1 16 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.492 -0.605 18301 6264 1 16 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.470 0.256 18301 6265 1 16 . 1 1 60 60 ASP H H 60 6.994 6.994 8.350 -1.356 18301 6266 1 16 . 1 1 61 61 LEU N N 61 120.023 120.023 118.779 1.244 18301 6267 1 16 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.241 -0.482 18301 6268 1 16 . 1 1 61 61 LEU C C 61 177.009 177.009 178.189 -1.180 18301 6269 1 16 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.492 0.727 18301 6270 1 16 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.333 0.232 18301 6271 1 16 . 1 1 61 61 LEU H H 61 7.220 7.220 7.496 -0.276 18301 6272 1 16 . 1 1 62 62 ARG N N 62 117.758 117.758 120.146 -2.388 18301 6273 1 16 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.882 0.828 18301 6274 1 16 . 1 1 62 62 ARG C C 62 177.676 177.676 178.125 -0.449 18301 6275 1 16 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.441 -0.019 18301 6276 1 16 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.521 -0.550 18301 6277 1 16 . 1 1 62 62 ARG H H 62 8.034 8.034 7.835 0.199 18301 6278 1 16 . 1 1 63 63 ASP N N 63 119.490 119.490 118.080 1.410 18301 6279 1 16 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.425 -0.037 18301 6280 1 16 . 1 1 63 63 ASP C C 63 178.190 178.190 178.405 -0.215 18301 6281 1 16 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.027 0.633 18301 6282 1 16 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.838 -1.745 18301 6283 1 16 . 1 1 63 63 ASP H H 63 8.187 8.187 7.745 0.442 18301 6284 1 16 . 1 1 64 64 HIS N N 64 119.289 119.289 118.993 0.296 18301 6285 1 16 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.223 0.136 18301 6286 1 16 . 1 1 64 64 HIS C C 64 178.607 178.607 177.381 1.226 18301 6287 1 16 . 1 1 64 64 HIS CA C 64 60.324 60.324 59.250 1.074 18301 6288 1 16 . 1 1 64 64 HIS CB C 64 30.400 30.400 30.076 0.324 18301 6289 1 16 . 1 1 64 64 HIS H H 64 8.250 8.250 7.397 0.853 18301 6290 1 16 . 1 1 65 65 VAL N N 65 119.590 119.590 118.291 1.299 18301 6291 1 16 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.581 0.141 18301 6292 1 16 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.400 0.540 18301 6293 1 16 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.290 0.523 18301 6294 1 16 . 1 1 65 65 VAL H H 65 7.638 7.638 7.936 -0.298 18301 6295 1 16 . 1 1 66 66 ASN N N 66 121.680 121.680 117.354 4.326 18301 6296 1 16 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.499 0.651 18301 6297 1 16 . 1 1 66 66 ASN C C 66 180.454 180.454 176.999 3.455 18301 6298 1 16 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.859 -0.176 18301 6299 1 16 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.364 -0.378 18301 6300 1 16 . 1 1 66 66 ASN H H 66 8.461 8.461 7.818 0.643 18301 6301 1 16 . 1 1 67 67 ASP N N 67 120.750 120.750 120.422 0.328 18301 6302 1 16 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.501 -0.061 18301 6303 1 16 . 1 1 67 67 ASP C C 67 177.537 177.537 177.375 0.162 18301 6304 1 16 . 1 1 67 67 ASP CA C 67 56.628 56.628 55.980 0.648 18301 6305 1 16 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.641 -0.158 18301 6306 1 16 . 1 1 67 67 ASP H H 67 8.385 8.385 7.666 0.719 18301 6307 1 16 . 1 1 68 68 MET N N 68 116.510 116.510 116.194 0.316 18301 6308 1 16 . 1 1 68 68 MET HA H 68 4.287 4.287 4.546 -0.259 18301 6309 1 16 . 1 1 68 68 MET C C 68 176.064 176.064 177.222 -1.158 18301 6310 1 16 . 1 1 68 68 MET CA C 68 56.672 56.672 54.991 1.681 18301 6311 1 16 . 1 1 68 68 MET CB C 68 33.933 33.933 32.731 1.202 18301 6312 1 16 . 1 1 68 68 MET H H 68 7.680 7.680 7.555 0.125 18301 6313 1 16 . 1 1 69 69 GLY N N 69 105.290 105.290 106.618 -1.328 18301 6314 1 16 . 1 1 69 69 GLY C C 69 173.640 173.640 173.811 -0.171 18301 6315 1 16 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.093 -0.337 18301 6316 1 16 . 1 1 69 69 GLY H H 69 8.049 8.049 7.811 0.238 18301 6317 1 16 . 1 1 70 70 PHE N N 70 118.850 118.850 117.712 1.138 18301 6318 1 16 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.744 -0.008 18301 6319 1 16 . 1 1 70 70 PHE C C 70 172.772 172.772 175.504 -2.732 18301 6320 1 16 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.826 1.033 18301 6321 1 16 . 1 1 70 70 PHE CB C 70 40.570 40.570 41.253 -0.683 18301 6322 1 16 . 1 1 70 70 PHE H H 70 6.689 6.689 7.571 -0.882 18301 6323 1 16 . 1 1 71 71 GLU N N 71 118.550 118.550 120.976 -2.426 18301 6324 1 16 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.288 0.422 18301 6325 1 16 . 1 1 71 71 GLU C C 71 175.370 175.370 175.744 -0.374 18301 6326 1 16 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.452 0.447 18301 6327 1 16 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.552 1.157 18301 6328 1 16 . 1 1 71 71 GLU H H 71 8.030 8.030 8.940 -0.910 18301 6329 1 16 . 1 1 72 72 ALA N N 72 129.745 129.745 121.445 8.300 18301 6330 1 16 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.283 1.633 18301 6331 1 16 . 1 1 72 72 ALA C C 72 176.245 176.245 176.813 -0.568 18301 6332 1 16 . 1 1 72 72 ALA CA C 72 49.669 49.669 52.802 -3.133 18301 6333 1 16 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.425 3.070 18301 6334 1 16 . 1 1 72 72 ALA H H 72 9.580 9.580 7.762 1.818 18301 6335 1 16 . 1 1 73 73 ALA N N 73 121.581 121.581 126.048 -4.467 18301 6336 1 16 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.753 -0.232 18301 6337 1 16 . 1 1 73 73 ALA C C 73 176.162 176.162 175.540 0.622 18301 6338 1 16 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.546 0.197 18301 6339 1 16 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.647 -0.018 18301 6340 1 16 . 1 1 73 73 ALA H H 73 8.633 8.633 8.145 0.488 18301 6341 1 16 . 1 1 74 74 ILE N N 74 123.360 123.360 121.554 1.806 18301 6342 1 16 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.901 0.093 18301 6343 1 16 . 1 1 74 74 ILE C C 74 176.217 176.217 176.779 -0.562 18301 6344 1 16 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.324 1.007 18301 6345 1 16 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.503 0.808 18301 6346 1 16 . 1 1 74 74 ILE H H 74 8.962 8.962 8.613 0.349 18301 6347 1 16 . 1 1 75 75 LYS N N 75 130.310 130.310 126.472 3.838 18301 6348 1 16 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.953 0.600 18301 6349 1 16 . 1 1 75 75 LYS C C 75 175.217 175.217 176.648 -1.431 18301 6350 1 16 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.404 -1.947 18301 6351 1 16 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.535 0.737 18301 6352 1 16 . 1 1 75 75 LYS H H 75 8.842 8.842 8.596 0.246 18301 6353 1 17 . 1 1 4 4 MET N N 4 121.245 121.245 116.051 5.194 18301 6354 1 17 . 1 1 4 4 MET HA H 4 4.302 4.302 4.060 0.242 18301 6355 1 17 . 1 1 4 4 MET C C 4 175.828 175.828 175.318 0.510 18301 6356 1 17 . 1 1 4 4 MET CA C 4 56.414 56.414 56.176 0.238 18301 6357 1 17 . 1 1 4 4 MET CB C 4 32.361 32.361 31.510 0.851 18301 6358 1 17 . 1 1 4 4 MET H H 4 8.363 8.363 8.452 -0.089 18301 6359 1 17 . 1 1 5 5 GLN N N 5 121.670 121.670 117.706 3.964 18301 6360 1 17 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.409 -0.159 18301 6361 1 17 . 1 1 5 5 GLN C C 5 175.245 175.245 175.299 -0.054 18301 6362 1 17 . 1 1 5 5 GLN CA C 5 56.500 56.500 55.924 0.576 18301 6363 1 17 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.412 -0.093 18301 6364 1 17 . 1 1 5 5 GLN H H 5 8.266 8.266 7.799 0.467 18301 6365 1 17 . 1 1 6 6 GLU N N 6 120.500 120.500 118.674 1.826 18301 6366 1 17 . 1 1 6 6 GLU HA H 6 4.777 4.777 3.970 0.807 18301 6367 1 17 . 1 1 6 6 GLU C C 6 174.619 174.619 175.225 -0.606 18301 6368 1 17 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.464 -1.425 18301 6369 1 17 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.677 2.987 18301 6370 1 17 . 1 1 6 6 GLU H H 6 8.238 8.238 7.688 0.550 18301 6371 1 17 . 1 1 7 7 ALA N N 7 125.790 125.790 126.683 -0.893 18301 6372 1 17 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.722 -0.160 18301 6373 1 17 . 1 1 7 7 ALA C C 7 173.633 173.633 175.347 -1.714 18301 6374 1 17 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.669 -0.399 18301 6375 1 17 . 1 1 7 7 ALA CB C 7 22.412 22.412 22.117 0.295 18301 6376 1 17 . 1 1 7 7 ALA H H 7 8.838 8.838 8.231 0.607 18301 6377 1 17 . 1 1 8 8 VAL N N 8 117.770 117.770 120.531 -2.761 18301 6378 1 17 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.076 0.290 18301 6379 1 17 . 1 1 8 8 VAL C C 8 176.717 176.717 175.088 1.629 18301 6380 1 17 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.658 -0.076 18301 6381 1 17 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.490 0.433 18301 6382 1 17 . 1 1 8 8 VAL H H 8 8.340 8.340 8.398 -0.058 18301 6383 1 17 . 1 1 9 9 VAL N N 9 128.140 128.140 126.571 1.569 18301 6384 1 17 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.507 0.318 18301 6385 1 17 . 1 1 9 9 VAL C C 9 170.910 170.910 173.786 -2.876 18301 6386 1 17 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.285 -0.164 18301 6387 1 17 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.989 -0.110 18301 6388 1 17 . 1 1 9 9 VAL H H 9 9.560 9.560 9.274 0.286 18301 6389 1 17 . 1 1 10 10 LYS N N 10 126.441 126.441 128.050 -1.609 18301 6390 1 17 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.126 0.270 18301 6391 1 17 . 1 1 10 10 LYS C C 10 175.078 175.078 174.894 0.184 18301 6392 1 17 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.243 0.152 18301 6393 1 17 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.835 0.349 18301 6394 1 17 . 1 1 10 10 LYS H H 10 8.821 8.821 8.413 0.408 18301 6395 1 17 . 1 1 11 11 LEU N N 11 119.930 119.930 123.406 -3.476 18301 6396 1 17 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.874 0.497 18301 6397 1 17 . 1 1 11 11 LEU C C 11 177.801 177.801 175.711 2.090 18301 6398 1 17 . 1 1 11 11 LEU CA C 11 51.903 51.903 54.012 -2.109 18301 6399 1 17 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.102 -2.188 18301 6400 1 17 . 1 1 11 11 LEU H H 11 9.277 9.277 9.111 0.166 18301 6401 1 17 . 1 1 12 12 ARG N N 12 125.200 125.200 122.058 3.142 18301 6402 1 17 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.509 0.395 18301 6403 1 17 . 1 1 12 12 ARG C C 12 175.773 175.773 175.826 -0.053 18301 6404 1 17 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.400 0.241 18301 6405 1 17 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.195 -0.182 18301 6406 1 17 . 1 1 12 12 ARG H H 12 9.300 9.300 8.175 1.125 18301 6407 1 17 . 1 1 13 13 VAL N N 13 126.780 126.780 126.969 -0.189 18301 6408 1 17 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.093 0.418 18301 6409 1 17 . 1 1 13 13 VAL C C 13 174.564 174.564 175.367 -0.803 18301 6410 1 17 . 1 1 13 13 VAL CA C 13 61.785 61.785 63.093 -1.308 18301 6411 1 17 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.474 1.232 18301 6412 1 17 . 1 1 13 13 VAL H H 13 8.110 8.110 8.189 -0.079 18301 6413 1 17 . 1 1 14 14 GLU N N 14 126.510 126.510 126.039 0.471 18301 6414 1 17 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.337 0.328 18301 6415 1 17 . 1 1 14 14 GLU C C 14 176.426 176.426 177.365 -0.939 18301 6416 1 17 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.268 -0.885 18301 6417 1 17 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.939 0.682 18301 6418 1 17 . 1 1 14 14 GLU H H 14 9.100 9.100 8.809 0.291 18301 6419 1 17 . 1 1 15 15 GLY N N 15 108.020 108.020 107.545 0.475 18301 6420 1 17 . 1 1 15 15 GLY C C 15 175.884 175.884 174.272 1.612 18301 6421 1 17 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.518 -0.618 18301 6422 1 17 . 1 1 15 15 GLY H H 15 8.680 8.680 7.890 0.790 18301 6423 1 17 . 1 1 16 16 MET N N 16 120.590 120.590 115.609 4.981 18301 6424 1 17 . 1 1 16 16 MET HA H 16 4.880 4.880 4.567 0.313 18301 6425 1 17 . 1 1 16 16 MET C C 16 177.342 177.342 175.466 1.876 18301 6426 1 17 . 1 1 16 16 MET CA C 16 56.672 56.672 56.699 -0.027 18301 6427 1 17 . 1 1 16 16 MET H H 16 9.033 9.033 8.370 0.663 18301 6428 1 17 . 1 1 17 17 THR N N 17 123.321 123.321 110.962 12.359 18301 6429 1 17 . 1 1 17 17 THR C C 17 176.231 176.231 174.181 2.050 18301 6430 1 17 . 1 1 17 17 THR CA C 17 57.114 57.114 61.970 -4.856 18301 6431 1 17 . 1 1 17 17 THR H H 17 8.591 8.591 8.085 0.506 18301 6432 1 17 . 1 1 18 18 CYS N N 18 120.560 120.560 120.987 -0.427 18301 6433 1 17 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.258 0.802 18301 6434 1 17 . 1 1 18 18 CYS C C 18 174.467 174.467 175.010 -0.543 18301 6435 1 17 . 1 1 18 18 CYS CA C 18 57.500 57.500 59.614 -2.114 18301 6436 1 17 . 1 1 18 18 CYS CB C 18 30.996 30.996 25.316 5.680 18301 6437 1 17 . 1 1 18 18 CYS H H 18 8.809 8.809 8.632 0.177 18301 6438 1 17 . 1 1 20 20 SER N N 20 123.434 123.434 114.512 8.922 18301 6439 1 17 . 1 1 20 20 SER HA H 20 4.461 4.461 4.251 0.210 18301 6440 1 17 . 1 1 20 20 SER C C 20 177.009 177.009 175.898 1.111 18301 6441 1 17 . 1 1 20 20 SER CA C 20 62.214 62.214 58.694 3.520 18301 6442 1 17 . 1 1 20 20 SER H H 20 8.297 8.297 8.267 0.030 18301 6443 1 17 . 1 1 21 21 CYS N N 21 125.740 125.740 119.763 5.977 18301 6444 1 17 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.393 -0.333 18301 6445 1 17 . 1 1 21 21 CYS C C 21 177.495 177.495 176.307 1.188 18301 6446 1 17 . 1 1 21 21 CYS CA C 21 63.546 63.546 59.861 3.685 18301 6447 1 17 . 1 1 21 21 CYS CB C 21 28.800 28.800 26.861 1.939 18301 6448 1 17 . 1 1 21 21 CYS H H 21 7.861 7.861 8.692 -0.831 18301 6449 1 17 . 1 1 22 22 VAL N N 22 118.130 118.130 120.238 -2.108 18301 6450 1 17 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.570 -0.360 18301 6451 1 17 . 1 1 22 22 VAL C C 22 177.843 177.843 178.219 -0.376 18301 6452 1 17 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.486 -0.061 18301 6453 1 17 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.523 0.011 18301 6454 1 17 . 1 1 22 22 VAL H H 22 6.860 6.860 8.105 -1.245 18301 6455 1 17 . 1 1 23 23 SER N N 23 112.820 112.820 113.496 -0.676 18301 6456 1 17 . 1 1 23 23 SER HA H 23 4.220 4.220 4.165 0.055 18301 6457 1 17 . 1 1 23 23 SER C C 23 178.162 178.162 176.511 1.651 18301 6458 1 17 . 1 1 23 23 SER CA C 23 61.398 61.398 61.269 0.129 18301 6459 1 17 . 1 1 23 23 SER CB C 23 62.550 62.550 62.781 -0.231 18301 6460 1 17 . 1 1 23 23 SER H H 23 8.341 8.341 7.659 0.682 18301 6461 1 17 . 1 1 24 24 SER N N 24 119.341 119.341 118.098 1.243 18301 6462 1 17 . 1 1 24 24 SER HA H 24 4.859 4.859 4.249 0.610 18301 6463 1 17 . 1 1 24 24 SER C C 24 176.856 176.856 176.824 0.032 18301 6464 1 17 . 1 1 24 24 SER CA C 24 61.570 61.570 61.568 0.002 18301 6465 1 17 . 1 1 24 24 SER CB C 24 62.506 62.506 63.188 -0.682 18301 6466 1 17 . 1 1 24 24 SER H H 24 8.286 8.286 7.431 0.855 18301 6467 1 17 . 1 1 25 25 ILE N N 25 122.340 122.340 121.403 0.937 18301 6468 1 17 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.831 -0.239 18301 6469 1 17 . 1 1 25 25 ILE C C 25 177.912 177.912 177.584 0.328 18301 6470 1 17 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.861 1.177 18301 6471 1 17 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.673 0.812 18301 6472 1 17 . 1 1 25 25 ILE H H 25 8.057 8.057 8.524 -0.467 18301 6473 1 17 . 1 1 26 26 GLU N N 26 117.081 117.081 119.752 -2.671 18301 6474 1 17 . 1 1 26 26 GLU HA H 26 3.555 3.555 3.982 -0.427 18301 6475 1 17 . 1 1 26 26 GLU C C 26 178.523 178.523 178.870 -0.347 18301 6476 1 17 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.928 0.697 18301 6477 1 17 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.141 0.680 18301 6478 1 17 . 1 1 26 26 GLU H H 26 8.504 8.504 7.725 0.779 18301 6479 1 17 . 1 1 27 27 GLY N N 27 102.731 102.731 106.408 -3.677 18301 6480 1 17 . 1 1 27 27 GLY C C 27 175.925 175.925 176.106 -0.181 18301 6481 1 17 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.666 0.168 18301 6482 1 17 . 1 1 27 27 GLY H H 27 8.231 8.231 7.927 0.304 18301 6483 1 17 . 1 1 28 28 LYS N N 28 119.316 119.316 121.120 -1.804 18301 6484 1 17 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.098 0.012 18301 6485 1 17 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.411 0.618 18301 6486 1 17 . 1 1 28 28 LYS CB C 28 32.916 32.916 31.809 1.107 18301 6487 1 17 . 1 1 28 28 LYS H H 28 7.640 7.640 7.449 0.191 18301 6488 1 17 . 1 1 29 29 VAL N N 29 118.845 118.845 117.675 1.170 18301 6489 1 17 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.605 -0.155 18301 6490 1 17 . 1 1 29 29 VAL C C 29 177.259 177.259 178.409 -1.150 18301 6491 1 17 . 1 1 29 29 VAL CA C 29 65.737 65.737 66.522 -0.785 18301 6492 1 17 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.224 0.093 18301 6493 1 17 . 1 1 29 29 VAL H H 29 8.577 8.577 7.540 1.037 18301 6494 1 17 . 1 1 30 30 ARG N N 30 115.480 115.480 117.000 -1.520 18301 6495 1 17 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.083 -0.263 18301 6496 1 17 . 1 1 30 30 ARG C C 30 176.717 176.717 177.250 -0.533 18301 6497 1 17 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.081 0.567 18301 6498 1 17 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.785 0.316 18301 6499 1 17 . 1 1 30 30 ARG H H 30 8.083 8.083 7.831 0.252 18301 6500 1 17 . 1 1 31 31 LYS N N 31 114.395 114.395 116.495 -2.100 18301 6501 1 17 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.290 -0.099 18301 6502 1 17 . 1 1 31 31 LYS C C 31 176.870 176.870 177.063 -0.193 18301 6503 1 17 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.582 0.660 18301 6504 1 17 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.875 0.049 18301 6505 1 17 . 1 1 31 31 LYS H H 31 6.757 6.757 7.737 -0.980 18301 6506 1 17 . 1 1 32 32 LEU N N 32 121.290 121.290 121.770 -0.480 18301 6507 1 17 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.229 -0.134 18301 6508 1 17 . 1 1 32 32 LEU C C 32 177.398 177.398 177.904 -0.506 18301 6509 1 17 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.006 -0.353 18301 6510 1 17 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.900 -0.592 18301 6511 1 17 . 1 1 32 32 LEU H H 32 7.386 7.386 7.663 -0.277 18301 6512 1 17 . 1 1 33 33 GLN N N 33 124.330 124.330 123.397 0.933 18301 6513 1 17 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.223 -0.133 18301 6514 1 17 . 1 1 33 33 GLN C C 33 175.661 175.661 176.676 -1.015 18301 6515 1 17 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.115 -0.220 18301 6516 1 17 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.816 -0.739 18301 6517 1 17 . 1 1 33 33 GLN H H 33 8.650 8.650 8.443 0.207 18301 6518 1 17 . 1 1 34 34 GLY N N 34 109.990 109.990 109.137 0.853 18301 6519 1 17 . 1 1 34 34 GLY C C 34 173.911 173.911 174.311 -0.400 18301 6520 1 17 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.348 1.196 18301 6521 1 17 . 1 1 34 34 GLY H H 34 8.759 8.759 8.257 0.502 18301 6522 1 17 . 1 1 35 35 VAL N N 35 119.540 119.540 120.023 -0.483 18301 6523 1 17 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.944 -0.094 18301 6524 1 17 . 1 1 35 35 VAL C C 35 175.759 175.759 176.291 -0.532 18301 6525 1 17 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.648 0.155 18301 6526 1 17 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.438 -1.012 18301 6527 1 17 . 1 1 35 35 VAL H H 35 7.600 7.600 7.781 -0.181 18301 6528 1 17 . 1 1 36 36 VAL N N 36 130.030 130.030 127.070 2.960 18301 6529 1 17 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.058 -0.146 18301 6530 1 17 . 1 1 36 36 VAL C C 36 176.023 176.023 175.952 0.071 18301 6531 1 17 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.831 0.369 18301 6532 1 17 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.499 1.181 18301 6533 1 17 . 1 1 36 36 VAL H H 36 9.141 9.141 8.796 0.345 18301 6534 1 17 . 1 1 37 37 ARG N N 37 116.750 116.750 115.464 1.286 18301 6535 1 17 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.497 0.144 18301 6536 1 17 . 1 1 37 37 ARG C C 37 173.230 173.230 173.508 -0.278 18301 6537 1 17 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.244 0.337 18301 6538 1 17 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.333 -0.396 18301 6539 1 17 . 1 1 37 37 ARG H H 37 7.859 7.859 7.831 0.028 18301 6540 1 17 . 1 1 38 38 VAL N N 38 119.900 119.900 121.875 -1.975 18301 6541 1 17 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.652 0.327 18301 6542 1 17 . 1 1 38 38 VAL C C 38 171.841 171.841 174.478 -2.637 18301 6543 1 17 . 1 1 38 38 VAL CA C 38 59.637 59.637 61.292 -1.655 18301 6544 1 17 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.162 -0.803 18301 6545 1 17 . 1 1 38 38 VAL H H 38 8.785 8.785 8.468 0.317 18301 6546 1 17 . 1 1 39 39 LYS N N 39 126.750 126.750 128.364 -1.614 18301 6547 1 17 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.682 0.128 18301 6548 1 17 . 1 1 39 39 LYS C C 39 175.634 175.634 174.760 0.874 18301 6549 1 17 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.308 0.130 18301 6550 1 17 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.499 0.858 18301 6551 1 17 . 1 1 39 39 LYS H H 39 8.360 8.360 8.715 -0.355 18301 6552 1 17 . 1 1 40 40 VAL N N 40 131.410 131.410 126.921 4.489 18301 6553 1 17 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.261 0.526 18301 6554 1 17 . 1 1 40 40 VAL C C 40 173.522 173.522 175.119 -1.597 18301 6555 1 17 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.437 -0.469 18301 6556 1 17 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.878 -1.475 18301 6557 1 17 . 1 1 40 40 VAL H H 40 10.183 10.183 8.650 1.533 18301 6558 1 17 . 1 1 41 41 SER N N 41 120.470 120.470 121.778 -1.308 18301 6559 1 17 . 1 1 41 41 SER HA H 41 4.852 4.852 4.783 0.069 18301 6560 1 17 . 1 1 41 41 SER C C 41 175.217 175.217 174.255 0.962 18301 6561 1 17 . 1 1 41 41 SER CA C 41 55.039 55.039 56.201 -1.162 18301 6562 1 17 . 1 1 41 41 SER CB C 41 64.710 64.710 63.815 0.895 18301 6563 1 17 . 1 1 41 41 SER H H 41 8.868 8.868 8.321 0.547 18301 6564 1 17 . 1 1 42 42 LEU N N 42 130.390 130.390 130.006 0.384 18301 6565 1 17 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.307 0.503 18301 6566 1 17 . 1 1 42 42 LEU C C 42 179.982 179.982 177.681 2.301 18301 6567 1 17 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.846 1.029 18301 6568 1 17 . 1 1 42 42 LEU CB C 42 42.030 42.030 42.171 -0.141 18301 6569 1 17 . 1 1 42 42 LEU H H 42 8.998 8.998 8.949 0.049 18301 6570 1 17 . 1 1 44 44 ASN N N 44 116.079 116.079 117.466 -1.387 18301 6571 1 17 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.876 -0.032 18301 6572 1 17 . 1 1 44 44 ASN C C 44 173.786 173.786 174.447 -0.661 18301 6573 1 17 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.444 -0.153 18301 6574 1 17 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.128 -0.948 18301 6575 1 17 . 1 1 44 44 ASN H H 44 7.812 7.812 7.479 0.333 18301 6576 1 17 . 1 1 45 45 GLN N N 45 117.658 117.658 114.781 2.877 18301 6577 1 17 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.920 -0.319 18301 6578 1 17 . 1 1 45 45 GLN C C 45 175.314 175.314 173.891 1.423 18301 6579 1 17 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.306 -0.376 18301 6580 1 17 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.236 -0.175 18301 6581 1 17 . 1 1 45 45 GLN H H 45 7.679 7.679 7.745 -0.066 18301 6582 1 17 . 1 1 46 46 GLU N N 46 116.510 116.510 116.045 0.465 18301 6583 1 17 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.890 0.804 18301 6584 1 17 . 1 1 46 46 GLU C C 46 173.869 173.869 173.845 0.024 18301 6585 1 17 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.942 0.453 18301 6586 1 17 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.222 1.309 18301 6587 1 17 . 1 1 46 46 GLU H H 46 7.780 7.780 7.757 0.023 18301 6588 1 17 . 1 1 47 47 ALA N N 47 124.870 124.870 122.631 2.239 18301 6589 1 17 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.734 0.373 18301 6590 1 17 . 1 1 47 47 ALA C C 47 174.758 174.758 175.063 -0.305 18301 6591 1 17 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.717 -0.919 18301 6592 1 17 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.693 0.383 18301 6593 1 17 . 1 1 47 47 ALA H H 47 9.170 9.170 8.916 0.254 18301 6594 1 17 . 1 1 48 48 VAL N N 48 123.890 123.890 124.877 -0.987 18301 6595 1 17 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.563 0.009 18301 6596 1 17 . 1 1 48 48 VAL C C 48 176.217 176.217 174.729 1.488 18301 6597 1 17 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.413 1.231 18301 6598 1 17 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.901 -1.369 18301 6599 1 17 . 1 1 48 48 VAL H H 48 8.930 8.930 8.966 -0.036 18301 6600 1 17 . 1 1 49 49 ILE N N 49 129.890 129.890 128.883 1.007 18301 6601 1 17 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.477 0.363 18301 6602 1 17 . 1 1 49 49 ILE C C 49 174.619 174.619 174.831 -0.212 18301 6603 1 17 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.468 -0.058 18301 6604 1 17 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.477 0.440 18301 6605 1 17 . 1 1 49 49 ILE H H 49 9.340 9.340 9.304 0.036 18301 6606 1 17 . 1 1 50 50 THR N N 50 125.910 125.910 124.807 1.103 18301 6607 1 17 . 1 1 50 50 THR HA H 50 5.486 5.486 4.759 0.727 18301 6608 1 17 . 1 1 50 50 THR C C 50 174.286 174.286 173.643 0.643 18301 6609 1 17 . 1 1 50 50 THR CA C 50 61.871 61.871 62.627 -0.756 18301 6610 1 17 . 1 1 50 50 THR CB C 50 68.762 68.762 69.369 -0.607 18301 6611 1 17 . 1 1 50 50 THR H H 50 9.225 9.225 9.070 0.155 18301 6612 1 17 . 1 1 51 51 TYR N N 51 127.720 127.720 125.563 2.157 18301 6613 1 17 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.029 0.636 18301 6614 1 17 . 1 1 51 51 TYR C C 51 171.758 171.758 172.851 -1.093 18301 6615 1 17 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.414 -0.289 18301 6616 1 17 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.572 0.972 18301 6617 1 17 . 1 1 51 51 TYR H H 51 9.846 9.846 9.358 0.488 18301 6618 1 17 . 1 1 52 52 GLN N N 52 120.470 120.470 118.128 2.342 18301 6619 1 17 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.613 0.410 18301 6620 1 17 . 1 1 52 52 GLN C C 52 175.286 175.286 174.008 1.278 18301 6621 1 17 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.136 0.853 18301 6622 1 17 . 1 1 52 52 GLN H H 52 9.072 9.072 8.541 0.531 18301 6623 1 17 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.389 -0.671 18301 6624 1 17 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.146 0.257 18301 6625 1 17 . 1 1 54 54 TYR N N 54 114.650 114.650 117.645 -2.995 18301 6626 1 17 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.465 -0.064 18301 6627 1 17 . 1 1 54 54 TYR C C 54 175.689 175.689 175.186 0.503 18301 6628 1 17 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.996 -0.262 18301 6629 1 17 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.705 -1.133 18301 6630 1 17 . 1 1 54 54 TYR H H 54 8.158 8.158 8.106 0.052 18301 6631 1 17 . 1 1 55 55 LEU N N 55 117.788 117.788 117.793 -0.005 18301 6632 1 17 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.416 -0.004 18301 6633 1 17 . 1 1 55 55 LEU C C 55 175.786 175.786 176.874 -1.088 18301 6634 1 17 . 1 1 55 55 LEU CA C 55 55.039 55.039 55.037 0.002 18301 6635 1 17 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.368 2.501 18301 6636 1 17 . 1 1 55 55 LEU H H 55 7.968 7.968 7.298 0.670 18301 6637 1 17 . 1 1 56 56 ILE N N 56 121.565 121.565 117.135 4.430 18301 6638 1 17 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.398 0.023 18301 6639 1 17 . 1 1 56 56 ILE C C 56 170.396 170.396 174.072 -3.676 18301 6640 1 17 . 1 1 56 56 ILE CA C 56 61.355 61.355 58.944 2.411 18301 6641 1 17 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.883 -1.096 18301 6642 1 17 . 1 1 56 56 ILE H H 56 8.211 8.211 7.905 0.306 18301 6643 1 17 . 1 1 57 57 GLN N N 57 119.400 119.400 124.409 -5.009 18301 6644 1 17 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.880 0.113 18301 6645 1 17 . 1 1 57 57 GLN C C 57 175.911 175.911 174.930 0.981 18301 6646 1 17 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.362 -2.115 18301 6647 1 17 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.332 0.552 18301 6648 1 17 . 1 1 57 57 GLN H H 57 7.953 7.953 8.741 -0.788 18301 6649 1 17 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.706 0.374 18301 6650 1 17 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.834 -0.034 18301 6651 1 17 . 1 1 59 59 GLU N N 59 116.700 116.700 118.376 -1.676 18301 6652 1 17 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.954 -0.377 18301 6653 1 17 . 1 1 59 59 GLU C C 59 177.634 177.634 178.567 -0.933 18301 6654 1 17 . 1 1 59 59 GLU CA C 59 61.355 61.355 60.238 1.117 18301 6655 1 17 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.799 -0.392 18301 6656 1 17 . 1 1 59 59 GLU H H 59 9.588 9.588 8.668 0.920 18301 6657 1 17 . 1 1 60 60 ASP N N 60 116.670 116.670 118.600 -1.930 18301 6658 1 17 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.469 -0.198 18301 6659 1 17 . 1 1 60 60 ASP C C 60 178.898 178.898 178.681 0.217 18301 6660 1 17 . 1 1 60 60 ASP CA C 60 56.887 56.887 56.849 0.038 18301 6661 1 17 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.521 0.205 18301 6662 1 17 . 1 1 60 60 ASP H H 60 6.994 6.994 8.256 -1.262 18301 6663 1 17 . 1 1 61 61 LEU N N 61 120.023 120.023 118.172 1.851 18301 6664 1 17 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.247 -0.488 18301 6665 1 17 . 1 1 61 61 LEU C C 61 177.009 177.009 178.341 -1.332 18301 6666 1 17 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.569 0.650 18301 6667 1 17 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.186 0.379 18301 6668 1 17 . 1 1 61 61 LEU H H 61 7.220 7.220 7.541 -0.321 18301 6669 1 17 . 1 1 62 62 ARG N N 62 117.758 117.758 119.787 -2.029 18301 6670 1 17 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.857 0.853 18301 6671 1 17 . 1 1 62 62 ARG C C 62 177.676 177.676 177.867 -0.191 18301 6672 1 17 . 1 1 62 62 ARG CA C 62 59.422 59.422 58.879 0.543 18301 6673 1 17 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.322 -0.350 18301 6674 1 17 . 1 1 62 62 ARG H H 62 8.034 8.034 7.999 0.035 18301 6675 1 17 . 1 1 63 63 ASP N N 63 119.490 119.490 116.628 2.862 18301 6676 1 17 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.416 -0.028 18301 6677 1 17 . 1 1 63 63 ASP C C 63 178.190 178.190 178.383 -0.193 18301 6678 1 17 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.458 0.202 18301 6679 1 17 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.590 -1.497 18301 6680 1 17 . 1 1 63 63 ASP H H 63 8.187 8.187 8.109 0.078 18301 6681 1 17 . 1 1 64 64 HIS N N 64 119.289 119.289 118.323 0.966 18301 6682 1 17 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.369 -0.010 18301 6683 1 17 . 1 1 64 64 HIS C C 64 178.607 178.607 177.121 1.486 18301 6684 1 17 . 1 1 64 64 HIS CA C 64 60.324 60.324 59.142 1.182 18301 6685 1 17 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.939 0.461 18301 6686 1 17 . 1 1 64 64 HIS H H 64 8.250 8.250 7.331 0.919 18301 6687 1 17 . 1 1 65 65 VAL N N 65 119.590 119.590 118.212 1.378 18301 6688 1 17 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.713 0.009 18301 6689 1 17 . 1 1 65 65 VAL CA C 65 66.940 66.940 65.952 0.988 18301 6690 1 17 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.179 0.634 18301 6691 1 17 . 1 1 65 65 VAL H H 65 7.638 7.638 7.810 -0.172 18301 6692 1 17 . 1 1 66 66 ASN N N 66 121.680 121.680 118.207 3.473 18301 6693 1 17 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.507 0.643 18301 6694 1 17 . 1 1 66 66 ASN C C 66 180.454 180.454 177.131 3.323 18301 6695 1 17 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.815 -0.132 18301 6696 1 17 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.456 -0.470 18301 6697 1 17 . 1 1 66 66 ASN H H 66 8.461 8.461 7.835 0.626 18301 6698 1 17 . 1 1 67 67 ASP N N 67 120.750 120.750 120.721 0.029 18301 6699 1 17 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.490 -0.050 18301 6700 1 17 . 1 1 67 67 ASP C C 67 177.537 177.537 177.606 -0.069 18301 6701 1 17 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.289 0.339 18301 6702 1 17 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.138 0.345 18301 6703 1 17 . 1 1 67 67 ASP H H 67 8.385 8.385 7.753 0.632 18301 6704 1 17 . 1 1 68 68 MET N N 68 116.510 116.510 117.498 -0.988 18301 6705 1 17 . 1 1 68 68 MET HA H 68 4.287 4.287 4.519 -0.232 18301 6706 1 17 . 1 1 68 68 MET C C 68 176.064 176.064 177.437 -1.373 18301 6707 1 17 . 1 1 68 68 MET CA C 68 56.672 56.672 55.464 1.208 18301 6708 1 17 . 1 1 68 68 MET CB C 68 33.933 33.933 32.929 1.004 18301 6709 1 17 . 1 1 68 68 MET H H 68 7.680 7.680 7.620 0.060 18301 6710 1 17 . 1 1 69 69 GLY N N 69 105.290 105.290 108.228 -2.938 18301 6711 1 17 . 1 1 69 69 GLY C C 69 173.640 173.640 173.860 -0.220 18301 6712 1 17 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.438 -0.682 18301 6713 1 17 . 1 1 69 69 GLY H H 69 8.049 8.049 8.257 -0.208 18301 6714 1 17 . 1 1 70 70 PHE N N 70 118.850 118.850 118.900 -0.050 18301 6715 1 17 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.636 0.100 18301 6716 1 17 . 1 1 70 70 PHE C C 70 172.772 172.772 175.940 -3.168 18301 6717 1 17 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.855 0.004 18301 6718 1 17 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.214 0.356 18301 6719 1 17 . 1 1 70 70 PHE H H 70 6.689 6.689 7.668 -0.979 18301 6720 1 17 . 1 1 71 71 GLU N N 71 118.550 118.550 119.660 -1.110 18301 6721 1 17 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.385 0.325 18301 6722 1 17 . 1 1 71 71 GLU C C 71 175.370 175.370 175.735 -0.365 18301 6723 1 17 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.429 0.469 18301 6724 1 17 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.990 0.719 18301 6725 1 17 . 1 1 71 71 GLU H H 71 8.030 8.030 8.865 -0.835 18301 6726 1 17 . 1 1 72 72 ALA N N 72 129.745 129.745 122.023 7.722 18301 6727 1 17 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.309 1.607 18301 6728 1 17 . 1 1 72 72 ALA C C 72 176.245 176.245 176.411 -0.166 18301 6729 1 17 . 1 1 72 72 ALA CA C 72 49.669 49.669 52.820 -3.151 18301 6730 1 17 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.518 2.977 18301 6731 1 17 . 1 1 72 72 ALA H H 72 9.580 9.580 7.735 1.845 18301 6732 1 17 . 1 1 73 73 ALA N N 73 121.581 121.581 125.104 -3.523 18301 6733 1 17 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.591 -0.070 18301 6734 1 17 . 1 1 73 73 ALA C C 73 176.162 176.162 175.754 0.408 18301 6735 1 17 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.206 0.536 18301 6736 1 17 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.133 0.496 18301 6737 1 17 . 1 1 73 73 ALA H H 73 8.633 8.633 7.982 0.651 18301 6738 1 17 . 1 1 74 74 ILE N N 74 123.360 123.360 121.822 1.538 18301 6739 1 17 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.813 0.181 18301 6740 1 17 . 1 1 74 74 ILE C C 74 176.217 176.217 177.200 -0.983 18301 6741 1 17 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.622 0.709 18301 6742 1 17 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.331 0.980 18301 6743 1 17 . 1 1 74 74 ILE H H 74 8.962 8.962 8.624 0.338 18301 6744 1 17 . 1 1 75 75 LYS N N 75 130.310 130.310 127.549 2.761 18301 6745 1 17 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.953 0.600 18301 6746 1 17 . 1 1 75 75 LYS C C 75 175.217 175.217 176.449 -1.232 18301 6747 1 17 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.771 -2.314 18301 6748 1 17 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.600 0.672 18301 6749 1 17 . 1 1 75 75 LYS H H 75 8.842 8.842 8.358 0.484 18301 6750 1 18 . 1 1 4 4 MET N N 4 121.245 121.245 117.524 3.721 18301 6751 1 18 . 1 1 4 4 MET HA H 4 4.302 4.302 4.830 -0.528 18301 6752 1 18 . 1 1 4 4 MET C C 4 175.828 175.828 175.318 0.510 18301 6753 1 18 . 1 1 4 4 MET CA C 4 56.414 56.414 54.726 1.688 18301 6754 1 18 . 1 1 4 4 MET CB C 4 32.361 32.361 34.303 -1.942 18301 6755 1 18 . 1 1 4 4 MET H H 4 8.363 8.363 8.127 0.236 18301 6756 1 18 . 1 1 5 5 GLN N N 5 121.670 121.670 118.265 3.405 18301 6757 1 18 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.282 -0.032 18301 6758 1 18 . 1 1 5 5 GLN C C 5 175.245 175.245 175.552 -0.307 18301 6759 1 18 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.516 -0.016 18301 6760 1 18 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.442 -0.123 18301 6761 1 18 . 1 1 5 5 GLN H H 5 8.266 8.266 8.563 -0.297 18301 6762 1 18 . 1 1 6 6 GLU N N 6 120.500 120.500 119.401 1.099 18301 6763 1 18 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.234 0.543 18301 6764 1 18 . 1 1 6 6 GLU C C 6 174.619 174.619 175.017 -0.398 18301 6765 1 18 . 1 1 6 6 GLU CA C 6 55.039 55.039 55.302 -0.263 18301 6766 1 18 . 1 1 6 6 GLU CB C 6 32.664 32.664 30.556 2.108 18301 6767 1 18 . 1 1 6 6 GLU H H 6 8.238 8.238 7.670 0.568 18301 6768 1 18 . 1 1 7 7 ALA N N 7 125.790 125.790 126.602 -0.812 18301 6769 1 18 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.749 -0.187 18301 6770 1 18 . 1 1 7 7 ALA C C 7 173.633 173.633 175.624 -1.991 18301 6771 1 18 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.848 -0.578 18301 6772 1 18 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.055 1.357 18301 6773 1 18 . 1 1 7 7 ALA H H 7 8.838 8.838 8.293 0.545 18301 6774 1 18 . 1 1 8 8 VAL N N 8 117.770 117.770 121.240 -3.470 18301 6775 1 18 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.183 0.183 18301 6776 1 18 . 1 1 8 8 VAL C C 8 176.717 176.717 175.314 1.403 18301 6777 1 18 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.762 -0.180 18301 6778 1 18 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.591 0.332 18301 6779 1 18 . 1 1 8 8 VAL H H 8 8.340 8.340 8.405 -0.065 18301 6780 1 18 . 1 1 9 9 VAL N N 9 128.140 128.140 126.429 1.711 18301 6781 1 18 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.502 0.323 18301 6782 1 18 . 1 1 9 9 VAL C C 9 170.910 170.910 174.239 -3.329 18301 6783 1 18 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.074 -0.953 18301 6784 1 18 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.590 0.289 18301 6785 1 18 . 1 1 9 9 VAL H H 9 9.560 9.560 9.322 0.238 18301 6786 1 18 . 1 1 10 10 LYS N N 10 126.441 126.441 126.771 -0.330 18301 6787 1 18 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.380 0.016 18301 6788 1 18 . 1 1 10 10 LYS C C 10 175.078 175.078 175.558 -0.480 18301 6789 1 18 . 1 1 10 10 LYS CA C 10 54.395 54.395 55.060 -0.665 18301 6790 1 18 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.881 0.303 18301 6791 1 18 . 1 1 10 10 LYS H H 10 8.821 8.821 8.439 0.382 18301 6792 1 18 . 1 1 11 11 LEU N N 11 119.930 119.930 122.813 -2.883 18301 6793 1 18 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.673 0.698 18301 6794 1 18 . 1 1 11 11 LEU C C 11 177.801 177.801 175.488 2.313 18301 6795 1 18 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.327 -1.424 18301 6796 1 18 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.907 -1.992 18301 6797 1 18 . 1 1 11 11 LEU H H 11 9.277 9.277 9.041 0.236 18301 6798 1 18 . 1 1 12 12 ARG N N 12 125.200 125.200 120.462 4.738 18301 6799 1 18 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.653 0.251 18301 6800 1 18 . 1 1 12 12 ARG C C 12 175.773 175.773 175.320 0.453 18301 6801 1 18 . 1 1 12 12 ARG CA C 12 55.641 55.641 53.940 1.701 18301 6802 1 18 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.254 -0.241 18301 6803 1 18 . 1 1 12 12 ARG H H 12 9.300 9.300 8.749 0.551 18301 6804 1 18 . 1 1 13 13 VAL N N 13 126.780 126.780 125.100 1.680 18301 6805 1 18 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.465 0.046 18301 6806 1 18 . 1 1 13 13 VAL C C 13 174.564 174.564 175.655 -1.091 18301 6807 1 18 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.537 -0.752 18301 6808 1 18 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.713 0.993 18301 6809 1 18 . 1 1 13 13 VAL H H 13 8.110 8.110 8.302 -0.192 18301 6810 1 18 . 1 1 14 14 GLU N N 14 126.510 126.510 126.146 0.364 18301 6811 1 18 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.378 0.287 18301 6812 1 18 . 1 1 14 14 GLU C C 14 176.426 176.426 176.882 -0.456 18301 6813 1 18 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.182 -0.799 18301 6814 1 18 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.523 1.098 18301 6815 1 18 . 1 1 14 14 GLU H H 14 9.100 9.100 8.259 0.841 18301 6816 1 18 . 1 1 15 15 GLY N N 15 108.020 108.020 107.702 0.318 18301 6817 1 18 . 1 1 15 15 GLY C C 15 175.884 175.884 175.263 0.621 18301 6818 1 18 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.037 -0.137 18301 6819 1 18 . 1 1 15 15 GLY H H 15 8.680 8.680 8.523 0.157 18301 6820 1 18 . 1 1 16 16 MET N N 16 120.590 120.590 120.543 0.047 18301 6821 1 18 . 1 1 16 16 MET HA H 16 4.880 4.880 4.094 0.786 18301 6822 1 18 . 1 1 16 16 MET C C 16 177.342 177.342 176.468 0.874 18301 6823 1 18 . 1 1 16 16 MET CA C 16 56.672 56.672 55.215 1.457 18301 6824 1 18 . 1 1 16 16 MET H H 16 9.033 9.033 8.247 0.786 18301 6825 1 18 . 1 1 17 17 THR N N 17 123.321 123.321 113.187 10.134 18301 6826 1 18 . 1 1 17 17 THR C C 17 176.231 176.231 175.078 1.153 18301 6827 1 18 . 1 1 17 17 THR CA C 17 57.114 57.114 64.083 -6.969 18301 6828 1 18 . 1 1 17 17 THR H H 17 8.591 8.591 7.989 0.602 18301 6829 1 18 . 1 1 18 18 CYS N N 18 120.560 120.560 119.825 0.735 18301 6830 1 18 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.076 0.984 18301 6831 1 18 . 1 1 18 18 CYS C C 18 174.467 174.467 176.175 -1.708 18301 6832 1 18 . 1 1 18 18 CYS CA C 18 57.500 57.500 60.018 -2.518 18301 6833 1 18 . 1 1 18 18 CYS CB C 18 30.996 30.996 28.761 2.235 18301 6834 1 18 . 1 1 18 18 CYS H H 18 8.809 8.809 7.601 1.208 18301 6835 1 18 . 1 1 20 20 SER N N 20 123.434 123.434 111.831 11.603 18301 6836 1 18 . 1 1 20 20 SER HA H 20 4.461 4.461 4.517 -0.056 18301 6837 1 18 . 1 1 20 20 SER C C 20 177.009 177.009 174.428 2.581 18301 6838 1 18 . 1 1 20 20 SER CA C 20 62.214 62.214 57.624 4.590 18301 6839 1 18 . 1 1 20 20 SER H H 20 8.297 8.297 8.114 0.183 18301 6840 1 18 . 1 1 21 21 CYS N N 21 125.740 125.740 122.490 3.250 18301 6841 1 18 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.336 -0.276 18301 6842 1 18 . 1 1 21 21 CYS C C 21 177.495 177.495 176.712 0.783 18301 6843 1 18 . 1 1 21 21 CYS CA C 21 63.546 63.546 60.919 2.627 18301 6844 1 18 . 1 1 21 21 CYS CB C 21 28.800 28.800 26.810 1.990 18301 6845 1 18 . 1 1 21 21 CYS H H 21 7.861 7.861 8.870 -1.009 18301 6846 1 18 . 1 1 22 22 VAL N N 22 118.130 118.130 120.898 -2.768 18301 6847 1 18 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.490 -0.280 18301 6848 1 18 . 1 1 22 22 VAL C C 22 177.843 177.843 177.804 0.039 18301 6849 1 18 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.344 0.081 18301 6850 1 18 . 1 1 22 22 VAL CB C 22 31.534 31.534 30.874 0.660 18301 6851 1 18 . 1 1 22 22 VAL H H 22 6.860 6.860 8.138 -1.278 18301 6852 1 18 . 1 1 23 23 SER N N 23 112.820 112.820 114.763 -1.943 18301 6853 1 18 . 1 1 23 23 SER HA H 23 4.220 4.220 4.061 0.159 18301 6854 1 18 . 1 1 23 23 SER C C 23 178.162 178.162 176.748 1.414 18301 6855 1 18 . 1 1 23 23 SER CA C 23 61.398 61.398 61.773 -0.375 18301 6856 1 18 . 1 1 23 23 SER CB C 23 62.550 62.550 62.708 -0.158 18301 6857 1 18 . 1 1 23 23 SER H H 23 8.341 8.341 7.735 0.606 18301 6858 1 18 . 1 1 24 24 SER N N 24 119.341 119.341 116.889 2.452 18301 6859 1 18 . 1 1 24 24 SER HA H 24 4.859 4.859 4.271 0.588 18301 6860 1 18 . 1 1 24 24 SER C C 24 176.856 176.856 176.402 0.454 18301 6861 1 18 . 1 1 24 24 SER CA C 24 61.570 61.570 61.128 0.442 18301 6862 1 18 . 1 1 24 24 SER CB C 24 62.506 62.506 63.265 -0.759 18301 6863 1 18 . 1 1 24 24 SER H H 24 8.286 8.286 7.945 0.341 18301 6864 1 18 . 1 1 25 25 ILE N N 25 122.340 122.340 121.838 0.502 18301 6865 1 18 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.896 -0.304 18301 6866 1 18 . 1 1 25 25 ILE C C 25 177.912 177.912 177.881 0.031 18301 6867 1 18 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.222 1.816 18301 6868 1 18 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.652 0.833 18301 6869 1 18 . 1 1 25 25 ILE H H 25 8.057 8.057 7.268 0.789 18301 6870 1 18 . 1 1 26 26 GLU N N 26 117.081 117.081 119.462 -2.381 18301 6871 1 18 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.054 -0.499 18301 6872 1 18 . 1 1 26 26 GLU C C 26 178.523 178.523 179.164 -0.641 18301 6873 1 18 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.162 1.463 18301 6874 1 18 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.408 0.413 18301 6875 1 18 . 1 1 26 26 GLU H H 26 8.504 8.504 7.839 0.665 18301 6876 1 18 . 1 1 27 27 GLY N N 27 102.731 102.731 107.148 -4.417 18301 6877 1 18 . 1 1 27 27 GLY C C 27 175.925 175.925 176.207 -0.282 18301 6878 1 18 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.722 0.111 18301 6879 1 18 . 1 1 27 27 GLY H H 27 8.231 8.231 7.730 0.501 18301 6880 1 18 . 1 1 28 28 LYS N N 28 119.316 119.316 120.943 -1.627 18301 6881 1 18 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.133 -0.023 18301 6882 1 18 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.674 0.355 18301 6883 1 18 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.033 0.883 18301 6884 1 18 . 1 1 28 28 LYS H H 28 7.640 7.640 7.384 0.256 18301 6885 1 18 . 1 1 29 29 VAL N N 29 118.845 118.845 117.752 1.093 18301 6886 1 18 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.752 -0.302 18301 6887 1 18 . 1 1 29 29 VAL C C 29 177.259 177.259 178.127 -0.868 18301 6888 1 18 . 1 1 29 29 VAL CA C 29 65.737 65.737 66.180 -0.443 18301 6889 1 18 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.197 0.120 18301 6890 1 18 . 1 1 29 29 VAL H H 29 8.577 8.577 7.647 0.930 18301 6891 1 18 . 1 1 30 30 ARG N N 30 115.480 115.480 117.147 -1.667 18301 6892 1 18 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.093 -0.273 18301 6893 1 18 . 1 1 30 30 ARG C C 30 176.717 176.717 177.267 -0.550 18301 6894 1 18 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.441 0.207 18301 6895 1 18 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.112 -0.011 18301 6896 1 18 . 1 1 30 30 ARG H H 30 8.083 8.083 7.610 0.473 18301 6897 1 18 . 1 1 31 31 LYS N N 31 114.395 114.395 116.178 -1.783 18301 6898 1 18 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.261 -0.070 18301 6899 1 18 . 1 1 31 31 LYS C C 31 176.870 176.870 177.116 -0.246 18301 6900 1 18 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.788 0.454 18301 6901 1 18 . 1 1 31 31 LYS CB C 31 32.924 32.924 33.039 -0.115 18301 6902 1 18 . 1 1 31 31 LYS H H 31 6.757 6.757 7.758 -1.001 18301 6903 1 18 . 1 1 32 32 LEU N N 32 121.290 121.290 121.345 -0.055 18301 6904 1 18 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.164 -0.069 18301 6905 1 18 . 1 1 32 32 LEU C C 32 177.398 177.398 177.306 0.092 18301 6906 1 18 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.375 0.278 18301 6907 1 18 . 1 1 32 32 LEU CB C 32 41.308 41.308 42.180 -0.872 18301 6908 1 18 . 1 1 32 32 LEU H H 32 7.386 7.386 7.724 -0.338 18301 6909 1 18 . 1 1 33 33 GLN N N 33 124.330 124.330 122.744 1.586 18301 6910 1 18 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.256 -0.166 18301 6911 1 18 . 1 1 33 33 GLN C C 33 175.661 175.661 176.543 -0.882 18301 6912 1 18 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.175 -0.280 18301 6913 1 18 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.792 -0.715 18301 6914 1 18 . 1 1 33 33 GLN H H 33 8.650 8.650 8.497 0.153 18301 6915 1 18 . 1 1 34 34 GLY N N 34 109.990 109.990 107.615 2.375 18301 6916 1 18 . 1 1 34 34 GLY C C 34 173.911 173.911 175.110 -1.199 18301 6917 1 18 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.779 0.765 18301 6918 1 18 . 1 1 34 34 GLY H H 34 8.759 8.759 7.878 0.881 18301 6919 1 18 . 1 1 35 35 VAL N N 35 119.540 119.540 121.567 -2.027 18301 6920 1 18 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.978 -0.128 18301 6921 1 18 . 1 1 35 35 VAL C C 35 175.759 175.759 176.224 -0.465 18301 6922 1 18 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.894 -0.091 18301 6923 1 18 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.548 -1.122 18301 6924 1 18 . 1 1 35 35 VAL H H 35 7.600 7.600 7.982 -0.382 18301 6925 1 18 . 1 1 36 36 VAL N N 36 130.030 130.030 126.346 3.684 18301 6926 1 18 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.093 -0.181 18301 6927 1 18 . 1 1 36 36 VAL C C 36 176.023 176.023 175.434 0.589 18301 6928 1 18 . 1 1 36 36 VAL CA C 36 64.200 64.200 64.410 -0.210 18301 6929 1 18 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.753 0.927 18301 6930 1 18 . 1 1 36 36 VAL H H 36 9.141 9.141 9.056 0.085 18301 6931 1 18 . 1 1 37 37 ARG N N 37 116.750 116.750 114.854 1.896 18301 6932 1 18 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.549 0.092 18301 6933 1 18 . 1 1 37 37 ARG C C 37 173.230 173.230 173.412 -0.182 18301 6934 1 18 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.110 0.471 18301 6935 1 18 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.486 -0.549 18301 6936 1 18 . 1 1 37 37 ARG H H 37 7.859 7.859 7.557 0.302 18301 6937 1 18 . 1 1 38 38 VAL N N 38 119.900 119.900 121.119 -1.219 18301 6938 1 18 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.675 0.304 18301 6939 1 18 . 1 1 38 38 VAL C C 38 171.841 171.841 174.748 -2.907 18301 6940 1 18 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.256 -0.619 18301 6941 1 18 . 1 1 38 38 VAL CB C 38 33.359 33.359 33.571 -0.211 18301 6942 1 18 . 1 1 38 38 VAL H H 38 8.785 8.785 8.511 0.274 18301 6943 1 18 . 1 1 39 39 LYS N N 39 126.750 126.750 129.325 -2.575 18301 6944 1 18 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.496 0.314 18301 6945 1 18 . 1 1 39 39 LYS C C 39 175.634 175.634 175.715 -0.081 18301 6946 1 18 . 1 1 39 39 LYS CA C 39 54.438 54.438 55.028 -0.590 18301 6947 1 18 . 1 1 39 39 LYS CB C 39 35.357 35.357 33.104 2.253 18301 6948 1 18 . 1 1 39 39 LYS H H 39 8.360 8.360 8.280 0.080 18301 6949 1 18 . 1 1 40 40 VAL N N 40 131.410 131.410 121.514 9.896 18301 6950 1 18 . 1 1 40 40 VAL HA H 40 4.787 4.787 3.901 0.886 18301 6951 1 18 . 1 1 40 40 VAL C C 40 173.522 173.522 175.111 -1.589 18301 6952 1 18 . 1 1 40 40 VAL CA C 40 60.968 60.968 64.025 -3.057 18301 6953 1 18 . 1 1 40 40 VAL CB C 40 32.403 32.403 31.973 0.430 18301 6954 1 18 . 1 1 40 40 VAL H H 40 10.183 10.183 7.982 2.201 18301 6955 1 18 . 1 1 41 41 SER N N 41 120.470 120.470 123.010 -2.540 18301 6956 1 18 . 1 1 41 41 SER HA H 41 4.852 4.852 4.753 0.099 18301 6957 1 18 . 1 1 41 41 SER C C 41 175.217 175.217 174.827 0.390 18301 6958 1 18 . 1 1 41 41 SER CA C 41 55.039 55.039 55.839 -0.799 18301 6959 1 18 . 1 1 41 41 SER CB C 41 64.710 64.710 63.717 0.993 18301 6960 1 18 . 1 1 41 41 SER H H 41 8.868 8.868 8.269 0.599 18301 6961 1 18 . 1 1 42 42 LEU N N 42 130.390 130.390 127.989 2.401 18301 6962 1 18 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.407 0.403 18301 6963 1 18 . 1 1 42 42 LEU C C 42 179.982 179.982 177.141 2.841 18301 6964 1 18 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.666 1.209 18301 6965 1 18 . 1 1 42 42 LEU CB C 42 42.030 42.030 40.862 1.168 18301 6966 1 18 . 1 1 42 42 LEU H H 42 8.998 8.998 8.888 0.110 18301 6967 1 18 . 1 1 44 44 ASN N N 44 116.079 116.079 118.367 -2.288 18301 6968 1 18 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.837 0.007 18301 6969 1 18 . 1 1 44 44 ASN C C 44 173.786 173.786 173.987 -0.201 18301 6970 1 18 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.868 -0.578 18301 6971 1 18 . 1 1 44 44 ASN CB C 44 38.180 38.180 38.771 -0.591 18301 6972 1 18 . 1 1 44 44 ASN H H 44 7.812 7.812 7.472 0.340 18301 6973 1 18 . 1 1 45 45 GLN N N 45 117.658 117.658 114.371 3.287 18301 6974 1 18 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.922 -0.321 18301 6975 1 18 . 1 1 45 45 GLN C C 45 175.314 175.314 173.951 1.363 18301 6976 1 18 . 1 1 45 45 GLN CA C 45 56.930 56.930 56.867 0.063 18301 6977 1 18 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.723 -0.662 18301 6978 1 18 . 1 1 45 45 GLN H H 45 7.679 7.679 7.511 0.168 18301 6979 1 18 . 1 1 46 46 GLU N N 46 116.510 116.510 116.713 -0.203 18301 6980 1 18 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.922 0.772 18301 6981 1 18 . 1 1 46 46 GLU C C 46 173.869 173.869 173.840 0.029 18301 6982 1 18 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.965 0.430 18301 6983 1 18 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.199 1.332 18301 6984 1 18 . 1 1 46 46 GLU H H 46 7.780 7.780 7.888 -0.108 18301 6985 1 18 . 1 1 47 47 ALA N N 47 124.870 124.870 124.720 0.150 18301 6986 1 18 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.754 0.353 18301 6987 1 18 . 1 1 47 47 ALA C C 47 174.758 174.758 175.048 -0.290 18301 6988 1 18 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.656 -0.858 18301 6989 1 18 . 1 1 47 47 ALA CB C 47 22.076 22.076 20.872 1.204 18301 6990 1 18 . 1 1 47 47 ALA H H 47 9.170 9.170 8.823 0.347 18301 6991 1 18 . 1 1 48 48 VAL N N 48 123.890 123.890 125.314 -1.424 18301 6992 1 18 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.648 -0.076 18301 6993 1 18 . 1 1 48 48 VAL C C 48 176.217 176.217 174.955 1.262 18301 6994 1 18 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.197 1.447 18301 6995 1 18 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.732 -1.199 18301 6996 1 18 . 1 1 48 48 VAL H H 48 8.930 8.930 8.745 0.185 18301 6997 1 18 . 1 1 49 49 ILE N N 49 129.890 129.890 129.854 0.036 18301 6998 1 18 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.508 0.332 18301 6999 1 18 . 1 1 49 49 ILE C C 49 174.619 174.619 175.012 -0.393 18301 7000 1 18 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.324 0.086 18301 7001 1 18 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.091 0.826 18301 7002 1 18 . 1 1 49 49 ILE H H 49 9.340 9.340 9.345 -0.005 18301 7003 1 18 . 1 1 50 50 THR N N 50 125.910 125.910 124.672 1.238 18301 7004 1 18 . 1 1 50 50 THR HA H 50 5.486 5.486 4.867 0.619 18301 7005 1 18 . 1 1 50 50 THR C C 50 174.286 174.286 174.085 0.201 18301 7006 1 18 . 1 1 50 50 THR CA C 50 61.871 61.871 61.402 0.469 18301 7007 1 18 . 1 1 50 50 THR CB C 50 68.762 68.762 68.982 -0.220 18301 7008 1 18 . 1 1 50 50 THR H H 50 9.225 9.225 8.540 0.685 18301 7009 1 18 . 1 1 51 51 TYR N N 51 127.720 127.720 125.721 1.999 18301 7010 1 18 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.090 0.575 18301 7011 1 18 . 1 1 51 51 TYR C C 51 171.758 171.758 172.853 -1.095 18301 7012 1 18 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.523 -0.398 18301 7013 1 18 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.669 0.875 18301 7014 1 18 . 1 1 51 51 TYR H H 51 9.846 9.846 9.592 0.254 18301 7015 1 18 . 1 1 52 52 GLN N N 52 120.470 120.470 117.628 2.842 18301 7016 1 18 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.586 0.437 18301 7017 1 18 . 1 1 52 52 GLN C C 52 175.286 175.286 174.029 1.257 18301 7018 1 18 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.835 0.154 18301 7019 1 18 . 1 1 52 52 GLN H H 52 9.072 9.072 8.422 0.650 18301 7020 1 18 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.801 -1.083 18301 7021 1 18 . 1 1 53 53 PRO CB C 53 32.403 32.403 31.974 0.429 18301 7022 1 18 . 1 1 54 54 TYR N N 54 114.650 114.650 116.687 -2.037 18301 7023 1 18 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.473 -0.072 18301 7024 1 18 . 1 1 54 54 TYR C C 54 175.689 175.689 175.261 0.428 18301 7025 1 18 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.078 -0.344 18301 7026 1 18 . 1 1 54 54 TYR CB C 54 37.572 37.572 39.079 -1.507 18301 7027 1 18 . 1 1 54 54 TYR H H 54 8.158 8.158 8.291 -0.133 18301 7028 1 18 . 1 1 55 55 LEU N N 55 117.788 117.788 117.908 -0.120 18301 7029 1 18 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.405 0.007 18301 7030 1 18 . 1 1 55 55 LEU C C 55 175.786 175.786 176.851 -1.065 18301 7031 1 18 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.929 0.110 18301 7032 1 18 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.353 2.516 18301 7033 1 18 . 1 1 55 55 LEU H H 55 7.968 7.968 7.298 0.670 18301 7034 1 18 . 1 1 56 56 ILE N N 56 121.565 121.565 117.312 4.253 18301 7035 1 18 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.362 0.059 18301 7036 1 18 . 1 1 56 56 ILE C C 56 170.396 170.396 174.194 -3.798 18301 7037 1 18 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.033 2.322 18301 7038 1 18 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.602 -0.815 18301 7039 1 18 . 1 1 56 56 ILE H H 56 8.211 8.211 7.800 0.411 18301 7040 1 18 . 1 1 57 57 GLN N N 57 119.400 119.400 124.719 -5.319 18301 7041 1 18 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.829 0.164 18301 7042 1 18 . 1 1 57 57 GLN C C 57 175.911 175.911 174.984 0.927 18301 7043 1 18 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.554 -2.307 18301 7044 1 18 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.379 0.505 18301 7045 1 18 . 1 1 57 57 GLN H H 57 7.953 7.953 8.706 -0.753 18301 7046 1 18 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.659 0.421 18301 7047 1 18 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.859 -0.059 18301 7048 1 18 . 1 1 59 59 GLU N N 59 116.700 116.700 118.309 -1.609 18301 7049 1 18 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.985 -0.408 18301 7050 1 18 . 1 1 59 59 GLU C C 59 177.634 177.634 178.116 -0.482 18301 7051 1 18 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.880 1.474 18301 7052 1 18 . 1 1 59 59 GLU CB C 59 28.407 28.407 29.043 -0.636 18301 7053 1 18 . 1 1 59 59 GLU H H 59 9.588 9.588 8.553 1.035 18301 7054 1 18 . 1 1 60 60 ASP N N 60 116.670 116.670 118.098 -1.428 18301 7055 1 18 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.436 -0.165 18301 7056 1 18 . 1 1 60 60 ASP C C 60 178.898 178.898 178.707 0.191 18301 7057 1 18 . 1 1 60 60 ASP CA C 60 56.887 56.887 56.783 0.104 18301 7058 1 18 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.533 0.193 18301 7059 1 18 . 1 1 60 60 ASP H H 60 6.994 6.994 8.315 -1.321 18301 7060 1 18 . 1 1 61 61 LEU N N 61 120.023 120.023 117.312 2.711 18301 7061 1 18 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.209 -0.450 18301 7062 1 18 . 1 1 61 61 LEU C C 61 177.009 177.009 177.959 -0.950 18301 7063 1 18 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.407 0.812 18301 7064 1 18 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.383 0.182 18301 7065 1 18 . 1 1 61 61 LEU H H 61 7.220 7.220 7.438 -0.218 18301 7066 1 18 . 1 1 62 62 ARG N N 62 117.758 117.758 119.106 -1.348 18301 7067 1 18 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.901 0.809 18301 7068 1 18 . 1 1 62 62 ARG C C 62 177.676 177.676 178.003 -0.327 18301 7069 1 18 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.373 0.049 18301 7070 1 18 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.684 -0.713 18301 7071 1 18 . 1 1 62 62 ARG H H 62 8.034 8.034 7.326 0.708 18301 7072 1 18 . 1 1 63 63 ASP N N 63 119.490 119.490 117.725 1.765 18301 7073 1 18 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.394 -0.006 18301 7074 1 18 . 1 1 63 63 ASP C C 63 178.190 178.190 178.145 0.045 18301 7075 1 18 . 1 1 63 63 ASP CA C 63 57.660 57.660 56.984 0.676 18301 7076 1 18 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.914 -1.821 18301 7077 1 18 . 1 1 63 63 ASP H H 63 8.187 8.187 7.737 0.450 18301 7078 1 18 . 1 1 64 64 HIS N N 64 119.289 119.289 118.811 0.478 18301 7079 1 18 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.273 0.086 18301 7080 1 18 . 1 1 64 64 HIS C C 64 178.607 178.607 177.759 0.848 18301 7081 1 18 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.870 1.454 18301 7082 1 18 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.443 0.957 18301 7083 1 18 . 1 1 64 64 HIS H H 64 8.250 8.250 7.570 0.680 18301 7084 1 18 . 1 1 65 65 VAL N N 65 119.590 119.590 119.296 0.294 18301 7085 1 18 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.308 0.414 18301 7086 1 18 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.108 0.832 18301 7087 1 18 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.485 0.328 18301 7088 1 18 . 1 1 65 65 VAL H H 65 7.638 7.638 7.574 0.064 18301 7089 1 18 . 1 1 66 66 ASN N N 66 121.680 121.680 116.712 4.968 18301 7090 1 18 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.722 0.428 18301 7091 1 18 . 1 1 66 66 ASN C C 66 180.454 180.454 177.126 3.328 18301 7092 1 18 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.748 -0.065 18301 7093 1 18 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.447 -0.461 18301 7094 1 18 . 1 1 66 66 ASN H H 66 8.461 8.461 7.980 0.481 18301 7095 1 18 . 1 1 67 67 ASP N N 67 120.750 120.750 121.359 -0.609 18301 7096 1 18 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.519 -0.079 18301 7097 1 18 . 1 1 67 67 ASP C C 67 177.537 177.537 177.556 -0.019 18301 7098 1 18 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.448 0.180 18301 7099 1 18 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.821 -0.338 18301 7100 1 18 . 1 1 67 67 ASP H H 67 8.385 8.385 7.797 0.588 18301 7101 1 18 . 1 1 68 68 MET N N 68 116.510 116.510 115.716 0.794 18301 7102 1 18 . 1 1 68 68 MET HA H 68 4.287 4.287 4.417 -0.130 18301 7103 1 18 . 1 1 68 68 MET C C 68 176.064 176.064 177.109 -1.045 18301 7104 1 18 . 1 1 68 68 MET CA C 68 56.672 56.672 55.041 1.631 18301 7105 1 18 . 1 1 68 68 MET CB C 68 33.933 33.933 32.648 1.285 18301 7106 1 18 . 1 1 68 68 MET H H 68 7.680 7.680 7.637 0.043 18301 7107 1 18 . 1 1 69 69 GLY N N 69 105.290 105.290 105.425 -0.135 18301 7108 1 18 . 1 1 69 69 GLY C C 69 173.640 173.640 174.671 -1.031 18301 7109 1 18 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.099 -0.343 18301 7110 1 18 . 1 1 69 69 GLY H H 69 8.049 8.049 7.777 0.272 18301 7111 1 18 . 1 1 70 70 PHE N N 70 118.850 118.850 120.806 -1.956 18301 7112 1 18 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.659 0.077 18301 7113 1 18 . 1 1 70 70 PHE C C 70 172.772 172.772 174.921 -2.149 18301 7114 1 18 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.851 0.008 18301 7115 1 18 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.677 -0.107 18301 7116 1 18 . 1 1 70 70 PHE H H 70 6.689 6.689 7.940 -1.251 18301 7117 1 18 . 1 1 71 71 GLU N N 71 118.550 118.550 119.283 -0.733 18301 7118 1 18 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.595 0.115 18301 7119 1 18 . 1 1 71 71 GLU C C 71 175.370 175.370 175.105 0.265 18301 7120 1 18 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.182 0.717 18301 7121 1 18 . 1 1 71 71 GLU CB C 71 30.709 30.709 31.067 -0.358 18301 7122 1 18 . 1 1 71 71 GLU H H 71 8.030 8.030 8.779 -0.749 18301 7123 1 18 . 1 1 72 72 ALA N N 72 129.745 129.745 127.413 2.332 18301 7124 1 18 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.406 0.510 18301 7125 1 18 . 1 1 72 72 ALA C C 72 176.245 176.245 175.962 0.283 18301 7126 1 18 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.596 -0.928 18301 7127 1 18 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.500 0.995 18301 7128 1 18 . 1 1 72 72 ALA H H 72 9.580 9.580 8.588 0.992 18301 7129 1 18 . 1 1 73 73 ALA N N 73 121.581 121.581 125.340 -3.759 18301 7130 1 18 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.829 -0.308 18301 7131 1 18 . 1 1 73 73 ALA C C 73 176.162 176.162 176.447 -0.285 18301 7132 1 18 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.418 0.325 18301 7133 1 18 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.172 0.457 18301 7134 1 18 . 1 1 73 73 ALA H H 73 8.633 8.633 8.648 -0.015 18301 7135 1 18 . 1 1 74 74 ILE N N 74 123.360 123.360 123.186 0.174 18301 7136 1 18 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.747 0.247 18301 7137 1 18 . 1 1 74 74 ILE C C 74 176.217 176.217 176.936 -0.719 18301 7138 1 18 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.649 0.682 18301 7139 1 18 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.123 1.188 18301 7140 1 18 . 1 1 74 74 ILE H H 74 8.962 8.962 8.644 0.318 18301 7141 1 18 . 1 1 75 75 LYS N N 75 130.310 130.310 126.887 3.423 18301 7142 1 18 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.970 0.583 18301 7143 1 18 . 1 1 75 75 LYS C C 75 175.217 175.217 176.914 -1.697 18301 7144 1 18 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.776 -2.319 18301 7145 1 18 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.968 0.304 18301 7146 1 18 . 1 1 75 75 LYS H H 75 8.842 8.842 8.626 0.216 18301 7147 1 19 . 1 1 4 4 MET N N 4 121.245 121.245 121.584 -0.339 18301 7148 1 19 . 1 1 4 4 MET HA H 4 4.302 4.302 4.601 -0.299 18301 7149 1 19 . 1 1 4 4 MET C C 4 175.828 175.828 176.502 -0.674 18301 7150 1 19 . 1 1 4 4 MET CA C 4 56.414 56.414 55.551 0.863 18301 7151 1 19 . 1 1 4 4 MET CB C 4 32.361 32.361 33.125 -0.764 18301 7152 1 19 . 1 1 4 4 MET H H 4 8.363 8.363 8.272 0.091 18301 7153 1 19 . 1 1 5 5 GLN N N 5 121.670 121.670 122.620 -0.950 18301 7154 1 19 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.341 -0.091 18301 7155 1 19 . 1 1 5 5 GLN C C 5 175.245 175.245 175.899 -0.654 18301 7156 1 19 . 1 1 5 5 GLN CA C 5 56.500 56.500 55.602 0.898 18301 7157 1 19 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.393 -0.074 18301 7158 1 19 . 1 1 5 5 GLN H H 5 8.266 8.266 8.678 -0.412 18301 7159 1 19 . 1 1 6 6 GLU N N 6 120.500 120.500 119.793 0.707 18301 7160 1 19 . 1 1 6 6 GLU HA H 6 4.777 4.777 3.985 0.792 18301 7161 1 19 . 1 1 6 6 GLU C C 6 174.619 174.619 175.543 -0.924 18301 7162 1 19 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.523 -1.484 18301 7163 1 19 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.654 3.010 18301 7164 1 19 . 1 1 6 6 GLU H H 6 8.238 8.238 8.031 0.207 18301 7165 1 19 . 1 1 7 7 ALA N N 7 125.790 125.790 125.938 -0.148 18301 7166 1 19 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.742 -0.180 18301 7167 1 19 . 1 1 7 7 ALA C C 7 173.633 173.633 175.270 -1.637 18301 7168 1 19 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.781 -0.511 18301 7169 1 19 . 1 1 7 7 ALA CB C 7 22.412 22.412 22.002 0.410 18301 7170 1 19 . 1 1 7 7 ALA H H 7 8.838 8.838 8.041 0.797 18301 7171 1 19 . 1 1 8 8 VAL N N 8 117.770 117.770 123.355 -5.585 18301 7172 1 19 . 1 1 8 8 VAL HA H 8 5.366 5.366 4.958 0.408 18301 7173 1 19 . 1 1 8 8 VAL C C 8 176.717 176.717 174.838 1.879 18301 7174 1 19 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.291 0.291 18301 7175 1 19 . 1 1 8 8 VAL CB C 8 34.923 34.923 35.142 -0.219 18301 7176 1 19 . 1 1 8 8 VAL H H 8 8.340 8.340 8.504 -0.164 18301 7177 1 19 . 1 1 9 9 VAL N N 9 128.140 128.140 124.172 3.968 18301 7178 1 19 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.689 0.136 18301 7179 1 19 . 1 1 9 9 VAL C C 9 170.910 170.910 173.535 -2.625 18301 7180 1 19 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.607 -0.486 18301 7181 1 19 . 1 1 9 9 VAL CB C 9 34.879 34.879 35.230 -0.351 18301 7182 1 19 . 1 1 9 9 VAL H H 9 9.560 9.560 8.332 1.228 18301 7183 1 19 . 1 1 10 10 LYS N N 10 126.441 126.441 122.283 4.158 18301 7184 1 19 . 1 1 10 10 LYS HA H 10 5.396 5.396 4.897 0.499 18301 7185 1 19 . 1 1 10 10 LYS C C 10 175.078 175.078 175.119 -0.041 18301 7186 1 19 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.498 -0.103 18301 7187 1 19 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.703 0.481 18301 7188 1 19 . 1 1 10 10 LYS H H 10 8.821 8.821 8.303 0.518 18301 7189 1 19 . 1 1 11 11 LEU N N 11 119.930 119.930 123.582 -3.652 18301 7190 1 19 . 1 1 11 11 LEU HA H 11 5.371 5.371 5.053 0.318 18301 7191 1 19 . 1 1 11 11 LEU C C 11 177.801 177.801 175.683 2.118 18301 7192 1 19 . 1 1 11 11 LEU CA C 11 51.903 51.903 54.041 -2.138 18301 7193 1 19 . 1 1 11 11 LEU CB C 11 43.914 43.914 45.851 -1.937 18301 7194 1 19 . 1 1 11 11 LEU H H 11 9.277 9.277 9.173 0.104 18301 7195 1 19 . 1 1 12 12 ARG N N 12 125.200 125.200 122.361 2.839 18301 7196 1 19 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.424 0.480 18301 7197 1 19 . 1 1 12 12 ARG C C 12 175.773 175.773 175.435 0.338 18301 7198 1 19 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.740 -0.100 18301 7199 1 19 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.298 -0.285 18301 7200 1 19 . 1 1 12 12 ARG H H 12 9.300 9.300 8.833 0.467 18301 7201 1 19 . 1 1 13 13 VAL N N 13 126.780 126.780 126.519 0.261 18301 7202 1 19 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.458 0.053 18301 7203 1 19 . 1 1 13 13 VAL C C 13 174.564 174.564 176.075 -1.511 18301 7204 1 19 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.425 -0.640 18301 7205 1 19 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.740 0.966 18301 7206 1 19 . 1 1 13 13 VAL H H 13 8.110 8.110 8.321 -0.211 18301 7207 1 19 . 1 1 14 14 GLU N N 14 126.510 126.510 126.728 -0.218 18301 7208 1 19 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.470 0.195 18301 7209 1 19 . 1 1 14 14 GLU C C 14 176.426 176.426 176.585 -0.159 18301 7210 1 19 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.172 -0.789 18301 7211 1 19 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.491 1.131 18301 7212 1 19 . 1 1 14 14 GLU H H 14 9.100 9.100 8.408 0.692 18301 7213 1 19 . 1 1 15 15 GLY N N 15 108.020 108.020 108.411 -0.391 18301 7214 1 19 . 1 1 15 15 GLY C C 15 175.884 175.884 175.372 0.512 18301 7215 1 19 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.096 -0.196 18301 7216 1 19 . 1 1 15 15 GLY H H 15 8.680 8.680 8.534 0.146 18301 7217 1 19 . 1 1 16 16 MET N N 16 120.590 120.590 119.827 0.763 18301 7218 1 19 . 1 1 16 16 MET HA H 16 4.880 4.880 4.069 0.811 18301 7219 1 19 . 1 1 16 16 MET C C 16 177.342 177.342 175.916 1.426 18301 7220 1 19 . 1 1 16 16 MET CA C 16 56.672 56.672 56.470 0.202 18301 7221 1 19 . 1 1 16 16 MET H H 16 9.033 9.033 8.011 1.022 18301 7222 1 19 . 1 1 17 17 THR N N 17 123.321 123.321 113.784 9.537 18301 7223 1 19 . 1 1 17 17 THR C C 17 176.231 176.231 175.898 0.333 18301 7224 1 19 . 1 1 17 17 THR CA C 17 57.114 57.114 63.863 -6.749 18301 7225 1 19 . 1 1 17 17 THR H H 17 8.591 8.591 8.203 0.388 18301 7226 1 19 . 1 1 18 18 CYS N N 18 120.560 120.560 120.041 0.519 18301 7227 1 19 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.271 0.789 18301 7228 1 19 . 1 1 18 18 CYS C C 18 174.467 174.467 174.790 -0.323 18301 7229 1 19 . 1 1 18 18 CYS CA C 18 57.500 57.500 60.594 -3.094 18301 7230 1 19 . 1 1 18 18 CYS CB C 18 30.996 30.996 28.991 2.005 18301 7231 1 19 . 1 1 18 18 CYS H H 18 8.809 8.809 7.828 0.981 18301 7232 1 19 . 1 1 20 20 SER N N 20 123.434 123.434 118.614 4.820 18301 7233 1 19 . 1 1 20 20 SER HA H 20 4.461 4.461 4.530 -0.069 18301 7234 1 19 . 1 1 20 20 SER C C 20 177.009 177.009 174.492 2.517 18301 7235 1 19 . 1 1 20 20 SER CA C 20 62.214 62.214 57.943 4.271 18301 7236 1 19 . 1 1 20 20 SER H H 20 8.297 8.297 8.813 -0.516 18301 7237 1 19 . 1 1 21 21 CYS N N 21 125.740 125.740 121.804 3.936 18301 7238 1 19 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.219 -0.159 18301 7239 1 19 . 1 1 21 21 CYS C C 21 177.495 177.495 175.482 2.013 18301 7240 1 19 . 1 1 21 21 CYS CA C 21 63.546 63.546 60.700 2.846 18301 7241 1 19 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.113 1.687 18301 7242 1 19 . 1 1 21 21 CYS H H 21 7.861 7.861 7.885 -0.024 18301 7243 1 19 . 1 1 22 22 VAL N N 22 118.130 118.130 119.859 -1.729 18301 7244 1 19 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.473 -0.263 18301 7245 1 19 . 1 1 22 22 VAL C C 22 177.843 177.843 178.024 -0.181 18301 7246 1 19 . 1 1 22 22 VAL CA C 22 66.425 66.425 67.286 -0.861 18301 7247 1 19 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.248 0.286 18301 7248 1 19 . 1 1 22 22 VAL H H 22 6.860 6.860 8.097 -1.237 18301 7249 1 19 . 1 1 23 23 SER N N 23 112.820 112.820 113.524 -0.704 18301 7250 1 19 . 1 1 23 23 SER HA H 23 4.220 4.220 4.195 0.025 18301 7251 1 19 . 1 1 23 23 SER C C 23 178.162 178.162 176.421 1.741 18301 7252 1 19 . 1 1 23 23 SER CA C 23 61.398 61.398 61.621 -0.223 18301 7253 1 19 . 1 1 23 23 SER CB C 23 62.550 62.550 62.859 -0.309 18301 7254 1 19 . 1 1 23 23 SER H H 23 8.341 8.341 7.746 0.595 18301 7255 1 19 . 1 1 24 24 SER N N 24 119.341 119.341 117.419 1.922 18301 7256 1 19 . 1 1 24 24 SER HA H 24 4.859 4.859 4.338 0.521 18301 7257 1 19 . 1 1 24 24 SER C C 24 176.856 176.856 176.752 0.104 18301 7258 1 19 . 1 1 24 24 SER CA C 24 61.570 61.570 60.960 0.610 18301 7259 1 19 . 1 1 24 24 SER CB C 24 62.506 62.506 63.020 -0.514 18301 7260 1 19 . 1 1 24 24 SER H H 24 8.286 8.286 7.372 0.914 18301 7261 1 19 . 1 1 25 25 ILE N N 25 122.340 122.340 122.691 -0.351 18301 7262 1 19 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.730 -0.138 18301 7263 1 19 . 1 1 25 25 ILE C C 25 177.912 177.912 177.277 0.635 18301 7264 1 19 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.887 1.151 18301 7265 1 19 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.603 0.882 18301 7266 1 19 . 1 1 25 25 ILE H H 25 8.057 8.057 8.686 -0.629 18301 7267 1 19 . 1 1 26 26 GLU N N 26 117.081 117.081 120.025 -2.944 18301 7268 1 19 . 1 1 26 26 GLU HA H 26 3.555 3.555 3.852 -0.297 18301 7269 1 19 . 1 1 26 26 GLU C C 26 178.523 178.523 178.955 -0.432 18301 7270 1 19 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.486 1.139 18301 7271 1 19 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.378 0.443 18301 7272 1 19 . 1 1 26 26 GLU H H 26 8.504 8.504 7.782 0.722 18301 7273 1 19 . 1 1 27 27 GLY N N 27 102.731 102.731 105.787 -3.056 18301 7274 1 19 . 1 1 27 27 GLY C C 27 175.925 175.925 176.635 -0.710 18301 7275 1 19 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.463 0.370 18301 7276 1 19 . 1 1 27 27 GLY H H 27 8.231 8.231 7.893 0.338 18301 7277 1 19 . 1 1 28 28 LYS N N 28 119.316 119.316 122.274 -2.958 18301 7278 1 19 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.163 -0.053 18301 7279 1 19 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.351 0.678 18301 7280 1 19 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.257 0.659 18301 7281 1 19 . 1 1 28 28 LYS H H 28 7.640 7.640 7.816 -0.175 18301 7282 1 19 . 1 1 29 29 VAL N N 29 118.845 118.845 119.285 -0.440 18301 7283 1 19 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.838 -0.388 18301 7284 1 19 . 1 1 29 29 VAL C C 29 177.259 177.259 177.854 -0.595 18301 7285 1 19 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.898 -0.161 18301 7286 1 19 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.998 -0.681 18301 7287 1 19 . 1 1 29 29 VAL H H 29 8.577 8.577 7.642 0.935 18301 7288 1 19 . 1 1 30 30 ARG N N 30 115.480 115.480 118.026 -2.546 18301 7289 1 19 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.099 -0.279 18301 7290 1 19 . 1 1 30 30 ARG C C 30 176.717 176.717 177.186 -0.469 18301 7291 1 19 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.408 0.240 18301 7292 1 19 . 1 1 30 30 ARG CB C 30 30.101 30.101 30.047 0.055 18301 7293 1 19 . 1 1 30 30 ARG H H 30 8.083 8.083 7.502 0.581 18301 7294 1 19 . 1 1 31 31 LYS N N 31 114.395 114.395 116.251 -1.856 18301 7295 1 19 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.196 -0.005 18301 7296 1 19 . 1 1 31 31 LYS C C 31 176.870 176.870 176.944 -0.074 18301 7297 1 19 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.838 0.404 18301 7298 1 19 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.489 0.436 18301 7299 1 19 . 1 1 31 31 LYS H H 31 6.757 6.757 7.783 -1.026 18301 7300 1 19 . 1 1 32 32 LEU N N 32 121.290 121.290 121.677 -0.387 18301 7301 1 19 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.146 -0.051 18301 7302 1 19 . 1 1 32 32 LEU C C 32 177.398 177.398 177.517 -0.119 18301 7303 1 19 . 1 1 32 32 LEU CA C 32 54.653 54.653 55.111 -0.458 18301 7304 1 19 . 1 1 32 32 LEU CB C 32 41.308 41.308 42.224 -0.916 18301 7305 1 19 . 1 1 32 32 LEU H H 32 7.386 7.386 7.399 -0.013 18301 7306 1 19 . 1 1 33 33 GLN N N 33 124.330 124.330 122.870 1.460 18301 7307 1 19 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.240 -0.150 18301 7308 1 19 . 1 1 33 33 GLN C C 33 175.661 175.661 176.711 -1.050 18301 7309 1 19 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.398 -0.503 18301 7310 1 19 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.754 -0.677 18301 7311 1 19 . 1 1 33 33 GLN H H 33 8.650 8.650 8.517 0.133 18301 7312 1 19 . 1 1 34 34 GLY N N 34 109.990 109.990 107.992 1.998 18301 7313 1 19 . 1 1 34 34 GLY C C 34 173.911 173.911 175.194 -1.283 18301 7314 1 19 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.977 0.567 18301 7315 1 19 . 1 1 34 34 GLY H H 34 8.759 8.759 7.987 0.772 18301 7316 1 19 . 1 1 35 35 VAL N N 35 119.540 119.540 121.622 -2.082 18301 7317 1 19 . 1 1 35 35 VAL HA H 35 3.850 3.850 4.018 -0.168 18301 7318 1 19 . 1 1 35 35 VAL C C 35 175.759 175.759 176.330 -0.571 18301 7319 1 19 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.805 -0.002 18301 7320 1 19 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.649 -1.223 18301 7321 1 19 . 1 1 35 35 VAL H H 35 7.600 7.600 7.848 -0.248 18301 7322 1 19 . 1 1 36 36 VAL N N 36 130.030 130.030 125.248 4.782 18301 7323 1 19 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.108 -0.196 18301 7324 1 19 . 1 1 36 36 VAL C C 36 176.023 176.023 176.143 -0.120 18301 7325 1 19 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.508 0.692 18301 7326 1 19 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.505 1.175 18301 7327 1 19 . 1 1 36 36 VAL H H 36 9.141 9.141 8.978 0.163 18301 7328 1 19 . 1 1 37 37 ARG N N 37 116.750 116.750 115.094 1.656 18301 7329 1 19 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.557 0.084 18301 7330 1 19 . 1 1 37 37 ARG C C 37 173.230 173.230 173.619 -0.389 18301 7331 1 19 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.332 0.249 18301 7332 1 19 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.112 -0.175 18301 7333 1 19 . 1 1 37 37 ARG H H 37 7.859 7.859 7.638 0.221 18301 7334 1 19 . 1 1 38 38 VAL N N 38 119.900 119.900 117.232 2.668 18301 7335 1 19 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.943 0.036 18301 7336 1 19 . 1 1 38 38 VAL C C 38 171.841 171.841 175.020 -3.179 18301 7337 1 19 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.662 -1.025 18301 7338 1 19 . 1 1 38 38 VAL CB C 38 33.359 33.359 33.682 -0.323 18301 7339 1 19 . 1 1 38 38 VAL H H 38 8.785 8.785 8.461 0.324 18301 7340 1 19 . 1 1 39 39 LYS N N 39 126.750 126.750 127.309 -0.559 18301 7341 1 19 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.475 0.335 18301 7342 1 19 . 1 1 39 39 LYS C C 39 175.634 175.634 176.144 -0.510 18301 7343 1 19 . 1 1 39 39 LYS CA C 39 54.438 54.438 55.054 -0.616 18301 7344 1 19 . 1 1 39 39 LYS CB C 39 35.357 35.357 33.056 2.301 18301 7345 1 19 . 1 1 39 39 LYS H H 39 8.360 8.360 8.359 0.001 18301 7346 1 19 . 1 1 40 40 VAL N N 40 131.410 131.410 121.269 10.141 18301 7347 1 19 . 1 1 40 40 VAL HA H 40 4.787 4.787 3.897 0.890 18301 7348 1 19 . 1 1 40 40 VAL C C 40 173.522 173.522 175.114 -1.592 18301 7349 1 19 . 1 1 40 40 VAL CA C 40 60.968 60.968 64.108 -3.140 18301 7350 1 19 . 1 1 40 40 VAL CB C 40 32.403 32.403 31.866 0.536 18301 7351 1 19 . 1 1 40 40 VAL H H 40 10.183 10.183 7.795 2.388 18301 7352 1 19 . 1 1 41 41 SER N N 41 120.470 120.470 122.883 -2.413 18301 7353 1 19 . 1 1 41 41 SER HA H 41 4.852 4.852 4.762 0.090 18301 7354 1 19 . 1 1 41 41 SER C C 41 175.217 175.217 174.464 0.753 18301 7355 1 19 . 1 1 41 41 SER CA C 41 55.039 55.039 55.623 -0.584 18301 7356 1 19 . 1 1 41 41 SER CB C 41 64.710 64.710 63.762 0.948 18301 7357 1 19 . 1 1 41 41 SER H H 41 8.868 8.868 8.013 0.855 18301 7358 1 19 . 1 1 42 42 LEU N N 42 130.390 130.390 127.812 2.578 18301 7359 1 19 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.303 0.507 18301 7360 1 19 . 1 1 42 42 LEU C C 42 179.982 179.982 178.015 1.967 18301 7361 1 19 . 1 1 42 42 LEU CA C 42 57.875 57.875 57.480 0.395 18301 7362 1 19 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.754 0.276 18301 7363 1 19 . 1 1 42 42 LEU H H 42 8.998 8.998 8.856 0.142 18301 7364 1 19 . 1 1 44 44 ASN N N 44 116.079 116.079 117.366 -1.287 18301 7365 1 19 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.792 0.052 18301 7366 1 19 . 1 1 44 44 ASN C C 44 173.786 173.786 174.180 -0.394 18301 7367 1 19 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.772 -0.482 18301 7368 1 19 . 1 1 44 44 ASN CB C 44 38.180 38.180 38.925 -0.745 18301 7369 1 19 . 1 1 44 44 ASN H H 44 7.812 7.812 7.649 0.163 18301 7370 1 19 . 1 1 45 45 GLN N N 45 117.658 117.658 116.006 1.652 18301 7371 1 19 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.897 -0.296 18301 7372 1 19 . 1 1 45 45 GLN C C 45 175.314 175.314 174.027 1.287 18301 7373 1 19 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.088 -0.158 18301 7374 1 19 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.420 -0.359 18301 7375 1 19 . 1 1 45 45 GLN H H 45 7.679 7.679 7.475 0.204 18301 7376 1 19 . 1 1 46 46 GLU N N 46 116.510 116.510 116.249 0.261 18301 7377 1 19 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.761 0.933 18301 7378 1 19 . 1 1 46 46 GLU C C 46 173.869 173.869 173.901 -0.032 18301 7379 1 19 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.932 0.463 18301 7380 1 19 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.093 1.438 18301 7381 1 19 . 1 1 46 46 GLU H H 46 7.780 7.780 7.910 -0.130 18301 7382 1 19 . 1 1 47 47 ALA N N 47 124.870 124.870 123.450 1.420 18301 7383 1 19 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.802 0.305 18301 7384 1 19 . 1 1 47 47 ALA C C 47 174.758 174.758 175.059 -0.301 18301 7385 1 19 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.958 -1.160 18301 7386 1 19 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.478 0.598 18301 7387 1 19 . 1 1 47 47 ALA H H 47 9.170 9.170 8.851 0.319 18301 7388 1 19 . 1 1 48 48 VAL N N 48 123.890 123.890 124.654 -0.764 18301 7389 1 19 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.715 -0.143 18301 7390 1 19 . 1 1 48 48 VAL C C 48 176.217 176.217 174.936 1.281 18301 7391 1 19 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.426 1.218 18301 7392 1 19 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.670 -1.137 18301 7393 1 19 . 1 1 48 48 VAL H H 48 8.930 8.930 8.752 0.178 18301 7394 1 19 . 1 1 49 49 ILE N N 49 129.890 129.890 129.160 0.730 18301 7395 1 19 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.464 0.376 18301 7396 1 19 . 1 1 49 49 ILE C C 49 174.619 174.619 174.888 -0.269 18301 7397 1 19 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.703 -0.293 18301 7398 1 19 . 1 1 49 49 ILE CB C 49 40.917 40.917 39.795 1.122 18301 7399 1 19 . 1 1 49 49 ILE H H 49 9.340 9.340 8.951 0.389 18301 7400 1 19 . 1 1 50 50 THR N N 50 125.910 125.910 124.792 1.118 18301 7401 1 19 . 1 1 50 50 THR HA H 50 5.486 5.486 4.692 0.794 18301 7402 1 19 . 1 1 50 50 THR C C 50 174.286 174.286 173.610 0.676 18301 7403 1 19 . 1 1 50 50 THR CA C 50 61.871 61.871 62.799 -0.928 18301 7404 1 19 . 1 1 50 50 THR CB C 50 68.762 68.762 69.276 -0.514 18301 7405 1 19 . 1 1 50 50 THR H H 50 9.225 9.225 8.703 0.522 18301 7406 1 19 . 1 1 51 51 TYR N N 51 127.720 127.720 125.439 2.281 18301 7407 1 19 . 1 1 51 51 TYR HA H 51 5.665 5.665 4.959 0.706 18301 7408 1 19 . 1 1 51 51 TYR C C 51 171.758 171.758 172.623 -0.865 18301 7409 1 19 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.512 -0.387 18301 7410 1 19 . 1 1 51 51 TYR CB C 51 41.544 41.544 41.078 0.466 18301 7411 1 19 . 1 1 51 51 TYR H H 51 9.846 9.846 8.742 1.104 18301 7412 1 19 . 1 1 52 52 GLN N N 52 120.470 120.470 118.574 1.896 18301 7413 1 19 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.571 0.452 18301 7414 1 19 . 1 1 52 52 GLN C C 52 175.286 175.286 174.215 1.071 18301 7415 1 19 . 1 1 52 52 GLN CA C 52 51.989 51.989 50.783 1.206 18301 7416 1 19 . 1 1 52 52 GLN H H 52 9.072 9.072 8.577 0.495 18301 7417 1 19 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.341 -0.623 18301 7418 1 19 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.016 0.388 18301 7419 1 19 . 1 1 54 54 TYR N N 54 114.650 114.650 117.112 -2.462 18301 7420 1 19 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.419 -0.018 18301 7421 1 19 . 1 1 54 54 TYR C C 54 175.689 175.689 175.197 0.492 18301 7422 1 19 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.886 -1.152 18301 7423 1 19 . 1 1 54 54 TYR CB C 54 37.572 37.572 39.094 -1.522 18301 7424 1 19 . 1 1 54 54 TYR H H 54 8.158 8.158 8.289 -0.131 18301 7425 1 19 . 1 1 55 55 LEU N N 55 117.788 117.788 117.624 0.164 18301 7426 1 19 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.448 -0.036 18301 7427 1 19 . 1 1 55 55 LEU C C 55 175.786 175.786 176.839 -1.053 18301 7428 1 19 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.977 0.062 18301 7429 1 19 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.448 2.421 18301 7430 1 19 . 1 1 55 55 LEU H H 55 7.968 7.968 7.345 0.623 18301 7431 1 19 . 1 1 56 56 ILE N N 56 121.565 121.565 118.357 3.208 18301 7432 1 19 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.393 0.028 18301 7433 1 19 . 1 1 56 56 ILE C C 56 170.396 170.396 174.431 -4.035 18301 7434 1 19 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.145 2.210 18301 7435 1 19 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.589 -0.802 18301 7436 1 19 . 1 1 56 56 ILE H H 56 8.211 8.211 7.798 0.413 18301 7437 1 19 . 1 1 57 57 GLN N N 57 119.400 119.400 124.323 -4.923 18301 7438 1 19 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.851 0.142 18301 7439 1 19 . 1 1 57 57 GLN C C 57 175.911 175.911 174.869 1.042 18301 7440 1 19 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.430 -2.183 18301 7441 1 19 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.223 0.661 18301 7442 1 19 . 1 1 57 57 GLN H H 57 7.953 7.953 8.657 -0.704 18301 7443 1 19 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.583 0.497 18301 7444 1 19 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.886 -0.086 18301 7445 1 19 . 1 1 59 59 GLU N N 59 116.700 116.700 118.408 -1.708 18301 7446 1 19 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.958 -0.381 18301 7447 1 19 . 1 1 59 59 GLU C C 59 177.634 177.634 178.510 -0.876 18301 7448 1 19 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.680 1.675 18301 7449 1 19 . 1 1 59 59 GLU CB C 59 28.407 28.407 29.032 -0.625 18301 7450 1 19 . 1 1 59 59 GLU H H 59 9.588 9.588 8.660 0.928 18301 7451 1 19 . 1 1 60 60 ASP N N 60 116.670 116.670 118.374 -1.704 18301 7452 1 19 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.421 -0.150 18301 7453 1 19 . 1 1 60 60 ASP C C 60 178.898 178.898 178.772 0.126 18301 7454 1 19 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.260 -0.373 18301 7455 1 19 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.825 -0.099 18301 7456 1 19 . 1 1 60 60 ASP H H 60 6.994 6.994 8.324 -1.330 18301 7457 1 19 . 1 1 61 61 LEU N N 61 120.023 120.023 118.164 1.859 18301 7458 1 19 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.191 -0.432 18301 7459 1 19 . 1 1 61 61 LEU C C 61 177.009 177.009 177.899 -0.890 18301 7460 1 19 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.724 0.495 18301 7461 1 19 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.477 0.088 18301 7462 1 19 . 1 1 61 61 LEU H H 61 7.220 7.220 7.515 -0.295 18301 7463 1 19 . 1 1 62 62 ARG N N 62 117.758 117.758 119.259 -1.501 18301 7464 1 19 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.905 0.805 18301 7465 1 19 . 1 1 62 62 ARG C C 62 177.676 177.676 177.906 -0.230 18301 7466 1 19 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.544 -0.122 18301 7467 1 19 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.580 -0.609 18301 7468 1 19 . 1 1 62 62 ARG H H 62 8.034 8.034 7.412 0.622 18301 7469 1 19 . 1 1 63 63 ASP N N 63 119.490 119.490 118.333 1.157 18301 7470 1 19 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.382 0.006 18301 7471 1 19 . 1 1 63 63 ASP C C 63 178.190 178.190 178.278 -0.088 18301 7472 1 19 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.079 0.581 18301 7473 1 19 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.442 -1.349 18301 7474 1 19 . 1 1 63 63 ASP H H 63 8.187 8.187 7.764 0.423 18301 7475 1 19 . 1 1 64 64 HIS N N 64 119.289 119.289 120.114 -0.825 18301 7476 1 19 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.269 0.090 18301 7477 1 19 . 1 1 64 64 HIS C C 64 178.607 178.607 177.315 1.292 18301 7478 1 19 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.630 1.694 18301 7479 1 19 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.469 0.931 18301 7480 1 19 . 1 1 64 64 HIS H H 64 8.250 8.250 7.447 0.803 18301 7481 1 19 . 1 1 65 65 VAL N N 65 119.590 119.590 117.637 1.953 18301 7482 1 19 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.458 0.264 18301 7483 1 19 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.464 0.476 18301 7484 1 19 . 1 1 65 65 VAL CB C 65 31.813 31.813 30.890 0.923 18301 7485 1 19 . 1 1 65 65 VAL H H 65 7.638 7.638 7.547 0.091 18301 7486 1 19 . 1 1 66 66 ASN N N 66 121.680 121.680 117.405 4.275 18301 7487 1 19 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.667 0.483 18301 7488 1 19 . 1 1 66 66 ASN C C 66 180.454 180.454 177.433 3.021 18301 7489 1 19 . 1 1 66 66 ASN CA C 66 55.683 55.683 56.138 -0.455 18301 7490 1 19 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.061 -0.075 18301 7491 1 19 . 1 1 66 66 ASN H H 66 8.461 8.461 7.736 0.725 18301 7492 1 19 . 1 1 67 67 ASP N N 67 120.750 120.750 120.654 0.096 18301 7493 1 19 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.472 -0.032 18301 7494 1 19 . 1 1 67 67 ASP C C 67 177.537 177.537 176.982 0.555 18301 7495 1 19 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.073 0.555 18301 7496 1 19 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.744 -0.261 18301 7497 1 19 . 1 1 67 67 ASP H H 67 8.385 8.385 7.597 0.788 18301 7498 1 19 . 1 1 68 68 MET N N 68 116.510 116.510 115.663 0.847 18301 7499 1 19 . 1 1 68 68 MET HA H 68 4.287 4.287 4.283 0.004 18301 7500 1 19 . 1 1 68 68 MET C C 68 176.064 176.064 176.825 -0.761 18301 7501 1 19 . 1 1 68 68 MET CA C 68 56.672 56.672 56.725 -0.053 18301 7502 1 19 . 1 1 68 68 MET CB C 68 33.933 33.933 33.343 0.590 18301 7503 1 19 . 1 1 68 68 MET H H 68 7.680 7.680 7.588 0.092 18301 7504 1 19 . 1 1 69 69 GLY N N 69 105.290 105.290 105.525 -0.235 18301 7505 1 19 . 1 1 69 69 GLY C C 69 173.640 173.640 174.251 -0.611 18301 7506 1 19 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.127 -0.371 18301 7507 1 19 . 1 1 69 69 GLY H H 69 8.049 8.049 7.861 0.188 18301 7508 1 19 . 1 1 70 70 PHE N N 70 118.850 118.850 119.798 -0.948 18301 7509 1 19 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.811 -0.075 18301 7510 1 19 . 1 1 70 70 PHE C C 70 172.772 172.772 174.502 -1.730 18301 7511 1 19 . 1 1 70 70 PHE CA C 70 56.859 56.859 55.947 0.912 18301 7512 1 19 . 1 1 70 70 PHE CB C 70 40.570 40.570 41.526 -0.956 18301 7513 1 19 . 1 1 70 70 PHE H H 70 6.689 6.689 7.740 -1.051 18301 7514 1 19 . 1 1 71 71 GLU N N 71 118.550 118.550 119.322 -0.772 18301 7515 1 19 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.600 0.110 18301 7516 1 19 . 1 1 71 71 GLU C C 71 175.370 175.370 174.988 0.382 18301 7517 1 19 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.159 0.740 18301 7518 1 19 . 1 1 71 71 GLU CB C 71 30.709 30.709 31.327 -0.618 18301 7519 1 19 . 1 1 71 71 GLU H H 71 8.030 8.030 8.876 -0.846 18301 7520 1 19 . 1 1 72 72 ALA N N 72 129.745 129.745 127.412 2.333 18301 7521 1 19 . 1 1 72 72 ALA HA H 72 5.916 5.916 5.385 0.531 18301 7522 1 19 . 1 1 72 72 ALA C C 72 176.245 176.245 175.985 0.260 18301 7523 1 19 . 1 1 72 72 ALA CA C 72 49.669 49.669 50.493 -0.824 18301 7524 1 19 . 1 1 72 72 ALA CB C 72 22.495 22.495 21.567 0.928 18301 7525 1 19 . 1 1 72 72 ALA H H 72 9.580 9.580 8.602 0.978 18301 7526 1 19 . 1 1 73 73 ALA N N 73 121.581 121.581 125.217 -3.636 18301 7527 1 19 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.836 -0.315 18301 7528 1 19 . 1 1 73 73 ALA C C 73 176.162 176.162 176.253 -0.091 18301 7529 1 19 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.097 0.646 18301 7530 1 19 . 1 1 73 73 ALA CB C 73 22.629 22.629 21.831 0.798 18301 7531 1 19 . 1 1 73 73 ALA H H 73 8.633 8.633 8.433 0.200 18301 7532 1 19 . 1 1 74 74 ILE N N 74 123.360 123.360 123.501 -0.141 18301 7533 1 19 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.819 0.175 18301 7534 1 19 . 1 1 74 74 ILE C C 74 176.217 176.217 176.754 -0.537 18301 7535 1 19 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.339 0.992 18301 7536 1 19 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.349 0.962 18301 7537 1 19 . 1 1 74 74 ILE H H 74 8.962 8.962 8.686 0.276 18301 7538 1 19 . 1 1 75 75 LYS N N 75 130.310 130.310 129.053 1.257 18301 7539 1 19 . 1 1 75 75 LYS HA H 75 4.553 4.553 3.993 0.560 18301 7540 1 19 . 1 1 75 75 LYS C C 75 175.217 175.217 176.642 -1.425 18301 7541 1 19 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.920 -2.463 18301 7542 1 19 . 1 1 75 75 LYS CB C 75 33.272 33.272 33.025 0.247 18301 7543 1 19 . 1 1 75 75 LYS H H 75 8.842 8.842 8.288 0.554 18301 7544 1 20 . 1 1 4 4 MET N N 4 121.245 121.245 118.794 2.451 18301 7545 1 20 . 1 1 4 4 MET HA H 4 4.302 4.302 4.568 -0.266 18301 7546 1 20 . 1 1 4 4 MET C C 4 175.828 175.828 175.838 -0.010 18301 7547 1 20 . 1 1 4 4 MET CA C 4 56.414 56.414 54.895 1.518 18301 7548 1 20 . 1 1 4 4 MET CB C 4 32.361 32.361 32.567 -0.206 18301 7549 1 20 . 1 1 4 4 MET H H 4 8.363 8.363 7.895 0.468 18301 7550 1 20 . 1 1 5 5 GLN N N 5 121.670 121.670 118.791 2.879 18301 7551 1 20 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.367 -0.117 18301 7552 1 20 . 1 1 5 5 GLN C C 5 175.245 175.245 175.791 -0.546 18301 7553 1 20 . 1 1 5 5 GLN CA C 5 56.500 56.500 55.066 1.434 18301 7554 1 20 . 1 1 5 5 GLN CB C 5 29.319 29.319 28.479 0.840 18301 7555 1 20 . 1 1 5 5 GLN H H 5 8.266 8.266 7.961 0.305 18301 7556 1 20 . 1 1 6 6 GLU N N 6 120.500 120.500 117.818 2.682 18301 7557 1 20 . 1 1 6 6 GLU HA H 6 4.777 4.777 3.933 0.844 18301 7558 1 20 . 1 1 6 6 GLU C C 6 174.619 174.619 175.366 -0.747 18301 7559 1 20 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.577 -1.538 18301 7560 1 20 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.641 3.023 18301 7561 1 20 . 1 1 6 6 GLU H H 6 8.238 8.238 7.867 0.371 18301 7562 1 20 . 1 1 7 7 ALA N N 7 125.790 125.790 126.576 -0.786 18301 7563 1 20 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.721 -0.159 18301 7564 1 20 . 1 1 7 7 ALA C C 7 173.633 173.633 175.353 -1.720 18301 7565 1 20 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.670 -0.400 18301 7566 1 20 . 1 1 7 7 ALA CB C 7 22.412 22.412 22.192 0.220 18301 7567 1 20 . 1 1 7 7 ALA H H 7 8.838 8.838 8.193 0.645 18301 7568 1 20 . 1 1 8 8 VAL N N 8 117.770 117.770 119.851 -2.081 18301 7569 1 20 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.034 0.332 18301 7570 1 20 . 1 1 8 8 VAL C C 8 176.717 176.717 175.283 1.434 18301 7571 1 20 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.390 0.192 18301 7572 1 20 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.622 0.301 18301 7573 1 20 . 1 1 8 8 VAL H H 8 8.340 8.340 8.383 -0.043 18301 7574 1 20 . 1 1 9 9 VAL N N 9 128.140 128.140 124.794 3.346 18301 7575 1 20 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.389 0.436 18301 7576 1 20 . 1 1 9 9 VAL C C 9 170.910 170.910 174.938 -4.028 18301 7577 1 20 . 1 1 9 9 VAL CA C 9 59.121 59.121 59.723 -0.602 18301 7578 1 20 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.134 0.745 18301 7579 1 20 . 1 1 9 9 VAL H H 9 9.560 9.560 9.295 0.265 18301 7580 1 20 . 1 1 10 10 LYS N N 10 126.441 126.441 126.452 -0.011 18301 7581 1 20 . 1 1 10 10 LYS HA H 10 5.396 5.396 5.009 0.387 18301 7582 1 20 . 1 1 10 10 LYS C C 10 175.078 175.078 174.993 0.085 18301 7583 1 20 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.451 -0.056 18301 7584 1 20 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.556 0.628 18301 7585 1 20 . 1 1 10 10 LYS H H 10 8.821 8.821 8.485 0.336 18301 7586 1 20 . 1 1 11 11 LEU N N 11 119.930 119.930 123.884 -3.954 18301 7587 1 20 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.871 0.500 18301 7588 1 20 . 1 1 11 11 LEU C C 11 177.801 177.801 175.623 2.178 18301 7589 1 20 . 1 1 11 11 LEU CA C 11 51.903 51.903 54.051 -2.148 18301 7590 1 20 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.018 -2.104 18301 7591 1 20 . 1 1 11 11 LEU H H 11 9.277 9.277 9.135 0.142 18301 7592 1 20 . 1 1 12 12 ARG N N 12 125.200 125.200 122.351 2.849 18301 7593 1 20 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.467 0.437 18301 7594 1 20 . 1 1 12 12 ARG C C 12 175.773 175.773 175.396 0.377 18301 7595 1 20 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.763 -0.122 18301 7596 1 20 . 1 1 12 12 ARG CB C 12 31.013 31.013 30.802 0.211 18301 7597 1 20 . 1 1 12 12 ARG H H 12 9.300 9.300 8.440 0.860 18301 7598 1 20 . 1 1 13 13 VAL N N 13 126.780 126.780 127.147 -0.367 18301 7599 1 20 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.174 0.337 18301 7600 1 20 . 1 1 13 13 VAL C C 13 174.564 174.564 175.653 -1.089 18301 7601 1 20 . 1 1 13 13 VAL CA C 13 61.785 61.785 61.378 0.407 18301 7602 1 20 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.968 0.738 18301 7603 1 20 . 1 1 13 13 VAL H H 13 8.110 8.110 7.974 0.136 18301 7604 1 20 . 1 1 14 14 GLU N N 14 126.510 126.510 125.437 1.073 18301 7605 1 20 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.347 0.318 18301 7606 1 20 . 1 1 14 14 GLU C C 14 176.426 176.426 176.889 -0.463 18301 7607 1 20 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.333 -0.950 18301 7608 1 20 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.494 1.127 18301 7609 1 20 . 1 1 14 14 GLU H H 14 9.100 9.100 8.790 0.310 18301 7610 1 20 . 1 1 15 15 GLY N N 15 108.020 108.020 107.466 0.554 18301 7611 1 20 . 1 1 15 15 GLY C C 15 175.884 175.884 174.406 1.478 18301 7612 1 20 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.188 -0.287 18301 7613 1 20 . 1 1 15 15 GLY H H 15 8.680 8.680 7.768 0.912 18301 7614 1 20 . 1 1 16 16 MET N N 16 120.590 120.590 116.269 4.321 18301 7615 1 20 . 1 1 16 16 MET HA H 16 4.880 4.880 4.234 0.646 18301 7616 1 20 . 1 1 16 16 MET C C 16 177.342 177.342 174.934 2.408 18301 7617 1 20 . 1 1 16 16 MET CA C 16 56.672 56.672 56.631 0.041 18301 7618 1 20 . 1 1 16 16 MET H H 16 9.033 9.033 8.254 0.779 18301 7619 1 20 . 1 1 17 17 THR N N 17 123.321 123.321 111.505 11.816 18301 7620 1 20 . 1 1 17 17 THR C C 17 176.231 176.231 174.817 1.414 18301 7621 1 20 . 1 1 17 17 THR CA C 17 57.114 57.114 64.331 -7.217 18301 7622 1 20 . 1 1 17 17 THR H H 17 8.591 8.591 8.012 0.579 18301 7623 1 20 . 1 1 18 18 CYS N N 18 120.560 120.560 118.603 1.957 18301 7624 1 20 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.570 0.490 18301 7625 1 20 . 1 1 18 18 CYS C C 18 174.467 174.467 173.578 0.889 18301 7626 1 20 . 1 1 18 18 CYS CA C 18 57.500 57.500 57.600 -0.100 18301 7627 1 20 . 1 1 18 18 CYS CB C 18 30.996 30.996 30.399 0.597 18301 7628 1 20 . 1 1 18 18 CYS H H 18 8.809 8.809 8.052 0.757 18301 7629 1 20 . 1 1 20 20 SER N N 20 123.434 123.434 114.258 9.176 18301 7630 1 20 . 1 1 20 20 SER HA H 20 4.461 4.461 4.741 -0.280 18301 7631 1 20 . 1 1 20 20 SER C C 20 177.009 177.009 175.844 1.165 18301 7632 1 20 . 1 1 20 20 SER CA C 20 62.214 62.214 58.407 3.807 18301 7633 1 20 . 1 1 20 20 SER H H 20 8.297 8.297 8.255 0.042 18301 7634 1 20 . 1 1 21 21 CYS N N 21 125.740 125.740 120.740 5.000 18301 7635 1 20 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.351 -0.291 18301 7636 1 20 . 1 1 21 21 CYS C C 21 177.495 177.495 176.579 0.916 18301 7637 1 20 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.240 2.305 18301 7638 1 20 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.637 1.163 18301 7639 1 20 . 1 1 21 21 CYS H H 21 7.861 7.861 7.988 -0.127 18301 7640 1 20 . 1 1 22 22 VAL N N 22 118.130 118.130 121.720 -3.590 18301 7641 1 20 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.534 -0.324 18301 7642 1 20 . 1 1 22 22 VAL C C 22 177.843 177.843 177.880 -0.037 18301 7643 1 20 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.670 -0.245 18301 7644 1 20 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.351 0.183 18301 7645 1 20 . 1 1 22 22 VAL H H 22 6.860 6.860 8.303 -1.443 18301 7646 1 20 . 1 1 23 23 SER N N 23 112.820 112.820 114.227 -1.407 18301 7647 1 20 . 1 1 23 23 SER HA H 23 4.220 4.220 4.082 0.138 18301 7648 1 20 . 1 1 23 23 SER C C 23 178.162 178.162 176.460 1.702 18301 7649 1 20 . 1 1 23 23 SER CA C 23 61.398 61.398 61.656 -0.258 18301 7650 1 20 . 1 1 23 23 SER CB C 23 62.550 62.550 62.843 -0.293 18301 7651 1 20 . 1 1 23 23 SER H H 23 8.341 8.341 7.889 0.452 18301 7652 1 20 . 1 1 24 24 SER N N 24 119.341 119.341 116.222 3.119 18301 7653 1 20 . 1 1 24 24 SER HA H 24 4.859 4.859 4.308 0.551 18301 7654 1 20 . 1 1 24 24 SER C C 24 176.856 176.856 176.503 0.353 18301 7655 1 20 . 1 1 24 24 SER CA C 24 61.570 61.570 61.581 -0.011 18301 7656 1 20 . 1 1 24 24 SER CB C 24 62.506 62.506 63.069 -0.563 18301 7657 1 20 . 1 1 24 24 SER H H 24 8.286 8.286 7.764 0.522 18301 7658 1 20 . 1 1 25 25 ILE N N 25 122.340 122.340 122.190 0.150 18301 7659 1 20 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.839 -0.247 18301 7660 1 20 . 1 1 25 25 ILE C C 25 177.912 177.912 177.435 0.477 18301 7661 1 20 . 1 1 25 25 ILE CA C 25 66.038 66.038 62.638 3.400 18301 7662 1 20 . 1 1 25 25 ILE CB C 25 38.485 38.485 36.585 1.900 18301 7663 1 20 . 1 1 25 25 ILE H H 25 8.057 8.057 7.325 0.732 18301 7664 1 20 . 1 1 26 26 GLU N N 26 117.081 117.081 119.963 -2.882 18301 7665 1 20 . 1 1 26 26 GLU HA H 26 3.555 3.555 3.964 -0.409 18301 7666 1 20 . 1 1 26 26 GLU C C 26 178.523 178.523 179.087 -0.564 18301 7667 1 20 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.214 1.411 18301 7668 1 20 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.420 0.401 18301 7669 1 20 . 1 1 26 26 GLU H H 26 8.504 8.504 7.706 0.798 18301 7670 1 20 . 1 1 27 27 GLY N N 27 102.731 102.731 106.467 -3.736 18301 7671 1 20 . 1 1 27 27 GLY C C 27 175.925 175.925 176.046 -0.121 18301 7672 1 20 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.713 0.120 18301 7673 1 20 . 1 1 27 27 GLY H H 27 8.231 8.231 7.755 0.476 18301 7674 1 20 . 1 1 28 28 LYS N N 28 119.316 119.316 121.232 -1.916 18301 7675 1 20 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.059 0.051 18301 7676 1 20 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.842 0.187 18301 7677 1 20 . 1 1 28 28 LYS CB C 28 32.916 32.916 31.899 1.016 18301 7678 1 20 . 1 1 28 28 LYS H H 28 7.640 7.640 7.427 0.213 18301 7679 1 20 . 1 1 29 29 VAL N N 29 118.845 118.845 117.795 1.050 18301 7680 1 20 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.590 -0.140 18301 7681 1 20 . 1 1 29 29 VAL C C 29 177.259 177.259 178.218 -0.959 18301 7682 1 20 . 1 1 29 29 VAL CA C 29 65.737 65.737 66.704 -0.967 18301 7683 1 20 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.301 0.016 18301 7684 1 20 . 1 1 29 29 VAL H H 29 8.577 8.577 7.527 1.050 18301 7685 1 20 . 1 1 30 30 ARG N N 30 115.480 115.480 116.941 -1.461 18301 7686 1 20 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.077 -0.257 18301 7687 1 20 . 1 1 30 30 ARG C C 30 176.717 176.717 177.262 -0.545 18301 7688 1 20 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.109 0.538 18301 7689 1 20 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.774 0.327 18301 7690 1 20 . 1 1 30 30 ARG H H 30 8.083 8.083 7.915 0.168 18301 7691 1 20 . 1 1 31 31 LYS N N 31 114.395 114.395 116.462 -2.067 18301 7692 1 20 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.297 -0.106 18301 7693 1 20 . 1 1 31 31 LYS C C 31 176.870 176.870 177.107 -0.237 18301 7694 1 20 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.416 0.826 18301 7695 1 20 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.797 0.127 18301 7696 1 20 . 1 1 31 31 LYS H H 31 6.757 6.757 7.731 -0.974 18301 7697 1 20 . 1 1 32 32 LEU N N 32 121.290 121.290 121.805 -0.515 18301 7698 1 20 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.257 -0.162 18301 7699 1 20 . 1 1 32 32 LEU C C 32 177.398 177.398 177.716 -0.318 18301 7700 1 20 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.857 -0.204 18301 7701 1 20 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.859 -0.551 18301 7702 1 20 . 1 1 32 32 LEU H H 32 7.386 7.386 7.640 -0.254 18301 7703 1 20 . 1 1 33 33 GLN N N 33 124.330 124.330 124.785 -0.455 18301 7704 1 20 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.178 -0.088 18301 7705 1 20 . 1 1 33 33 GLN C C 33 175.661 175.661 176.764 -1.103 18301 7706 1 20 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.711 -0.816 18301 7707 1 20 . 1 1 33 33 GLN CB C 33 28.077 28.077 29.137 -1.060 18301 7708 1 20 . 1 1 33 33 GLN H H 33 8.650 8.650 8.540 0.110 18301 7709 1 20 . 1 1 34 34 GLY N N 34 109.990 109.990 108.161 1.829 18301 7710 1 20 . 1 1 34 34 GLY C C 34 173.911 173.911 174.667 -0.756 18301 7711 1 20 . 1 1 34 34 GLY CA C 34 45.544 45.544 44.891 0.653 18301 7712 1 20 . 1 1 34 34 GLY H H 34 8.759 8.759 8.378 0.381 18301 7713 1 20 . 1 1 35 35 VAL N N 35 119.540 119.540 121.909 -2.369 18301 7714 1 20 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.960 -0.110 18301 7715 1 20 . 1 1 35 35 VAL C C 35 175.759 175.759 176.355 -0.596 18301 7716 1 20 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.902 -0.099 18301 7717 1 20 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.684 -1.258 18301 7718 1 20 . 1 1 35 35 VAL H H 35 7.600 7.600 7.842 -0.242 18301 7719 1 20 . 1 1 36 36 VAL N N 36 130.030 130.030 126.924 3.106 18301 7720 1 20 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.071 -0.159 18301 7721 1 20 . 1 1 36 36 VAL C C 36 176.023 176.023 176.001 0.022 18301 7722 1 20 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.502 0.698 18301 7723 1 20 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.260 1.421 18301 7724 1 20 . 1 1 36 36 VAL H H 36 9.141 9.141 8.773 0.368 18301 7725 1 20 . 1 1 37 37 ARG N N 37 116.750 116.750 115.618 1.132 18301 7726 1 20 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.537 0.104 18301 7727 1 20 . 1 1 37 37 ARG C C 37 173.230 173.230 173.390 -0.160 18301 7728 1 20 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.420 0.161 18301 7729 1 20 . 1 1 37 37 ARG CB C 37 33.937 33.937 34.466 -0.529 18301 7730 1 20 . 1 1 37 37 ARG H H 37 7.859 7.859 7.831 0.028 18301 7731 1 20 . 1 1 38 38 VAL N N 38 119.900 119.900 117.833 2.067 18301 7732 1 20 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.825 0.154 18301 7733 1 20 . 1 1 38 38 VAL C C 38 171.841 171.841 174.128 -2.287 18301 7734 1 20 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.523 -0.886 18301 7735 1 20 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.577 -1.218 18301 7736 1 20 . 1 1 38 38 VAL H H 38 8.785 8.785 8.372 0.413 18301 7737 1 20 . 1 1 39 39 LYS N N 39 126.750 126.750 127.993 -1.243 18301 7738 1 20 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.661 0.149 18301 7739 1 20 . 1 1 39 39 LYS C C 39 175.634 175.634 174.744 0.890 18301 7740 1 20 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.826 -0.388 18301 7741 1 20 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.791 0.566 18301 7742 1 20 . 1 1 39 39 LYS H H 39 8.360 8.360 8.500 -0.140 18301 7743 1 20 . 1 1 40 40 VAL N N 40 131.410 131.410 125.755 5.655 18301 7744 1 20 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.328 0.459 18301 7745 1 20 . 1 1 40 40 VAL C C 40 173.522 173.522 175.297 -1.775 18301 7746 1 20 . 1 1 40 40 VAL CA C 40 60.968 60.968 60.923 0.045 18301 7747 1 20 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.429 -1.026 18301 7748 1 20 . 1 1 40 40 VAL H H 40 10.183 10.183 8.612 1.571 18301 7749 1 20 . 1 1 41 41 SER N N 41 120.470 120.470 121.266 -0.796 18301 7750 1 20 . 1 1 41 41 SER HA H 41 4.852 4.852 4.847 0.005 18301 7751 1 20 . 1 1 41 41 SER C C 41 175.217 175.217 174.958 0.259 18301 7752 1 20 . 1 1 41 41 SER CA C 41 55.039 55.039 55.976 -0.937 18301 7753 1 20 . 1 1 41 41 SER CB C 41 64.710 64.710 63.413 1.297 18301 7754 1 20 . 1 1 41 41 SER H H 41 8.868 8.868 8.185 0.683 18301 7755 1 20 . 1 1 42 42 LEU N N 42 130.390 130.390 127.544 2.846 18301 7756 1 20 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.331 0.479 18301 7757 1 20 . 1 1 42 42 LEU C C 42 179.982 179.982 177.615 2.367 18301 7758 1 20 . 1 1 42 42 LEU CA C 42 57.875 57.875 57.263 0.612 18301 7759 1 20 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.935 0.095 18301 7760 1 20 . 1 1 42 42 LEU H H 42 8.998 8.998 8.802 0.196 18301 7761 1 20 . 1 1 44 44 ASN N N 44 116.079 116.079 118.833 -2.754 18301 7762 1 20 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.896 -0.052 18301 7763 1 20 . 1 1 44 44 ASN C C 44 173.786 173.786 174.195 -0.409 18301 7764 1 20 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.573 -0.283 18301 7765 1 20 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.414 -1.234 18301 7766 1 20 . 1 1 44 44 ASN H H 44 7.812 7.812 7.480 0.332 18301 7767 1 20 . 1 1 45 45 GLN N N 45 117.658 117.658 114.521 3.137 18301 7768 1 20 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.980 -0.379 18301 7769 1 20 . 1 1 45 45 GLN C C 45 175.314 175.314 173.922 1.392 18301 7770 1 20 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.297 -0.367 18301 7771 1 20 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.478 -0.417 18301 7772 1 20 . 1 1 45 45 GLN H H 45 7.679 7.679 7.852 -0.173 18301 7773 1 20 . 1 1 46 46 GLU N N 46 116.510 116.510 116.034 0.476 18301 7774 1 20 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.945 0.749 18301 7775 1 20 . 1 1 46 46 GLU C C 46 173.869 173.869 173.893 -0.024 18301 7776 1 20 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.933 0.462 18301 7777 1 20 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.234 1.297 18301 7778 1 20 . 1 1 46 46 GLU H H 46 7.780 7.780 7.828 -0.048 18301 7779 1 20 . 1 1 47 47 ALA N N 47 124.870 124.870 122.078 2.792 18301 7780 1 20 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.714 0.393 18301 7781 1 20 . 1 1 47 47 ALA C C 47 174.758 174.758 175.016 -0.258 18301 7782 1 20 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.853 -1.055 18301 7783 1 20 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.764 0.312 18301 7784 1 20 . 1 1 47 47 ALA H H 47 9.170 9.170 8.992 0.178 18301 7785 1 20 . 1 1 48 48 VAL N N 48 123.890 123.890 124.838 -0.948 18301 7786 1 20 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.700 -0.128 18301 7787 1 20 . 1 1 48 48 VAL C C 48 176.217 176.217 174.867 1.350 18301 7788 1 20 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.611 1.033 18301 7789 1 20 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.970 -1.437 18301 7790 1 20 . 1 1 48 48 VAL H H 48 8.930 8.930 8.904 0.026 18301 7791 1 20 . 1 1 49 49 ILE N N 49 129.890 129.890 128.547 1.343 18301 7792 1 20 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.448 0.392 18301 7793 1 20 . 1 1 49 49 ILE C C 49 174.619 174.619 175.021 -0.402 18301 7794 1 20 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.333 0.077 18301 7795 1 20 . 1 1 49 49 ILE CB C 49 40.917 40.917 39.895 1.022 18301 7796 1 20 . 1 1 49 49 ILE H H 49 9.340 9.340 9.306 0.034 18301 7797 1 20 . 1 1 50 50 THR N N 50 125.910 125.910 124.816 1.094 18301 7798 1 20 . 1 1 50 50 THR HA H 50 5.486 5.486 4.768 0.718 18301 7799 1 20 . 1 1 50 50 THR C C 50 174.286 174.286 173.718 0.568 18301 7800 1 20 . 1 1 50 50 THR CA C 50 61.871 61.871 62.529 -0.658 18301 7801 1 20 . 1 1 50 50 THR CB C 50 68.762 68.762 69.311 -0.549 18301 7802 1 20 . 1 1 50 50 THR H H 50 9.225 9.225 8.967 0.258 18301 7803 1 20 . 1 1 51 51 TYR N N 51 127.720 127.720 125.351 2.369 18301 7804 1 20 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.004 0.661 18301 7805 1 20 . 1 1 51 51 TYR C C 51 171.758 171.758 172.815 -1.057 18301 7806 1 20 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.501 -0.376 18301 7807 1 20 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.446 1.098 18301 7808 1 20 . 1 1 51 51 TYR H H 51 9.846 9.846 9.407 0.439 18301 7809 1 20 . 1 1 52 52 GLN N N 52 120.470 120.470 118.666 1.804 18301 7810 1 20 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.573 0.450 18301 7811 1 20 . 1 1 52 52 GLN C C 52 175.286 175.286 174.087 1.199 18301 7812 1 20 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.332 0.657 18301 7813 1 20 . 1 1 52 52 GLN H H 52 9.072 9.072 8.638 0.434 18301 7814 1 20 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.434 -0.717 18301 7815 1 20 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.027 0.376 18301 7816 1 20 . 1 1 54 54 TYR N N 54 114.650 114.650 116.512 -1.862 18301 7817 1 20 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.449 -0.048 18301 7818 1 20 . 1 1 54 54 TYR C C 54 175.689 175.689 175.042 0.647 18301 7819 1 20 . 1 1 54 54 TYR CA C 54 58.734 58.734 58.944 -0.210 18301 7820 1 20 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.489 -0.917 18301 7821 1 20 . 1 1 54 54 TYR H H 54 8.158 8.158 7.963 0.195 18301 7822 1 20 . 1 1 55 55 LEU N N 55 117.788 117.788 117.775 0.013 18301 7823 1 20 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.284 0.128 18301 7824 1 20 . 1 1 55 55 LEU C C 55 175.786 175.786 176.966 -1.180 18301 7825 1 20 . 1 1 55 55 LEU CA C 55 55.039 55.039 55.048 -0.009 18301 7826 1 20 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.458 2.411 18301 7827 1 20 . 1 1 55 55 LEU H H 55 7.968 7.968 7.252 0.716 18301 7828 1 20 . 1 1 56 56 ILE N N 56 121.565 121.565 117.373 4.192 18301 7829 1 20 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.360 0.061 18301 7830 1 20 . 1 1 56 56 ILE C C 56 170.396 170.396 174.130 -3.734 18301 7831 1 20 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.072 2.283 18301 7832 1 20 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.779 -0.992 18301 7833 1 20 . 1 1 56 56 ILE H H 56 8.211 8.211 7.909 0.302 18301 7834 1 20 . 1 1 57 57 GLN N N 57 119.400 119.400 124.362 -4.962 18301 7835 1 20 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.850 0.143 18301 7836 1 20 . 1 1 57 57 GLN C C 57 175.911 175.911 174.951 0.960 18301 7837 1 20 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.484 -2.237 18301 7838 1 20 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.406 0.478 18301 7839 1 20 . 1 1 57 57 GLN H H 57 7.953 7.953 8.704 -0.751 18301 7840 1 20 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.583 0.497 18301 7841 1 20 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.815 -0.015 18301 7842 1 20 . 1 1 59 59 GLU N N 59 116.700 116.700 118.522 -1.822 18301 7843 1 20 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.961 -0.384 18301 7844 1 20 . 1 1 59 59 GLU C C 59 177.634 177.634 178.425 -0.791 18301 7845 1 20 . 1 1 59 59 GLU CA C 59 61.355 61.355 60.104 1.251 18301 7846 1 20 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.718 -0.311 18301 7847 1 20 . 1 1 59 59 GLU H H 59 9.588 9.588 8.623 0.965 18301 7848 1 20 . 1 1 60 60 ASP N N 60 116.670 116.670 118.470 -1.800 18301 7849 1 20 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.602 -0.331 18301 7850 1 20 . 1 1 60 60 ASP C C 60 178.898 178.898 178.771 0.127 18301 7851 1 20 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.204 -0.317 18301 7852 1 20 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.793 -0.067 18301 7853 1 20 . 1 1 60 60 ASP H H 60 6.994 6.994 8.333 -1.339 18301 7854 1 20 . 1 1 61 61 LEU N N 61 120.023 120.023 118.353 1.670 18301 7855 1 20 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.222 -0.463 18301 7856 1 20 . 1 1 61 61 LEU C C 61 177.009 177.009 178.165 -1.156 18301 7857 1 20 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.532 0.687 18301 7858 1 20 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.147 0.418 18301 7859 1 20 . 1 1 61 61 LEU H H 61 7.220 7.220 7.536 -0.316 18301 7860 1 20 . 1 1 62 62 ARG N N 62 117.758 117.758 119.767 -2.009 18301 7861 1 20 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.862 0.848 18301 7862 1 20 . 1 1 62 62 ARG C C 62 177.676 177.676 177.880 -0.204 18301 7863 1 20 . 1 1 62 62 ARG CA C 62 59.422 59.422 60.103 -0.681 18301 7864 1 20 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.702 -0.731 18301 7865 1 20 . 1 1 62 62 ARG H H 62 8.034 8.034 7.970 0.064 18301 7866 1 20 . 1 1 63 63 ASP N N 63 119.490 119.490 118.119 1.371 18301 7867 1 20 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.391 -0.003 18301 7868 1 20 . 1 1 63 63 ASP C C 63 178.190 178.190 178.419 -0.229 18301 7869 1 20 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.334 0.326 18301 7870 1 20 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.219 -1.127 18301 7871 1 20 . 1 1 63 63 ASP H H 63 8.187 8.187 7.853 0.334 18301 7872 1 20 . 1 1 64 64 HIS N N 64 119.289 119.289 120.111 -0.822 18301 7873 1 20 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.370 -0.011 18301 7874 1 20 . 1 1 64 64 HIS C C 64 178.607 178.607 177.503 1.104 18301 7875 1 20 . 1 1 64 64 HIS CA C 64 60.324 60.324 59.077 1.247 18301 7876 1 20 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.886 0.514 18301 7877 1 20 . 1 1 64 64 HIS H H 64 8.250 8.250 7.354 0.896 18301 7878 1 20 . 1 1 65 65 VAL N N 65 119.590 119.590 118.671 0.919 18301 7879 1 20 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.681 0.041 18301 7880 1 20 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.072 0.868 18301 7881 1 20 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.304 0.509 18301 7882 1 20 . 1 1 65 65 VAL H H 65 7.638 7.638 7.885 -0.247 18301 7883 1 20 . 1 1 66 66 ASN N N 66 121.680 121.680 117.977 3.703 18301 7884 1 20 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.473 0.677 18301 7885 1 20 . 1 1 66 66 ASN C C 66 180.454 180.454 177.013 3.441 18301 7886 1 20 . 1 1 66 66 ASN CA C 66 55.683 55.683 56.221 -0.538 18301 7887 1 20 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.253 -0.267 18301 7888 1 20 . 1 1 66 66 ASN H H 66 8.461 8.461 7.673 0.788 18301 7889 1 20 . 1 1 67 67 ASP N N 67 120.750 120.750 121.183 -0.433 18301 7890 1 20 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.440 -0.000 18301 7891 1 20 . 1 1 67 67 ASP C C 67 177.537 177.537 177.567 -0.030 18301 7892 1 20 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.408 0.220 18301 7893 1 20 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.628 -0.145 18301 7894 1 20 . 1 1 67 67 ASP H H 67 8.385 8.385 7.780 0.605 18301 7895 1 20 . 1 1 68 68 MET N N 68 116.510 116.510 116.348 0.162 18301 7896 1 20 . 1 1 68 68 MET HA H 68 4.287 4.287 4.397 -0.110 18301 7897 1 20 . 1 1 68 68 MET C C 68 176.064 176.064 177.585 -1.521 18301 7898 1 20 . 1 1 68 68 MET CA C 68 56.672 56.672 56.612 0.060 18301 7899 1 20 . 1 1 68 68 MET CB C 68 33.933 33.933 33.351 0.582 18301 7900 1 20 . 1 1 68 68 MET H H 68 7.680 7.680 7.478 0.202 18301 7901 1 20 . 1 1 69 69 GLY N N 69 105.290 105.290 107.867 -2.577 18301 7902 1 20 . 1 1 69 69 GLY C C 69 173.640 173.640 173.884 -0.244 18301 7903 1 20 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.228 -0.472 18301 7904 1 20 . 1 1 69 69 GLY H H 69 8.049 8.049 8.227 -0.178 18301 7905 1 20 . 1 1 70 70 PHE N N 70 118.850 118.850 117.700 1.150 18301 7906 1 20 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.822 -0.086 18301 7907 1 20 . 1 1 70 70 PHE C C 70 172.772 172.772 175.473 -2.701 18301 7908 1 20 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.047 0.812 18301 7909 1 20 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.920 -0.351 18301 7910 1 20 . 1 1 70 70 PHE H H 70 6.689 6.689 7.548 -0.859 18301 7911 1 20 . 1 1 71 71 GLU N N 71 118.550 118.550 121.026 -2.476 18301 7912 1 20 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.397 0.313 18301 7913 1 20 . 1 1 71 71 GLU C C 71 175.370 175.370 175.965 -0.595 18301 7914 1 20 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.931 -0.032 18301 7915 1 20 . 1 1 71 71 GLU CB C 71 30.709 30.709 29.934 0.775 18301 7916 1 20 . 1 1 71 71 GLU H H 71 8.030 8.030 8.831 -0.801 18301 7917 1 20 . 1 1 72 72 ALA N N 72 129.745 129.745 122.123 7.622 18301 7918 1 20 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.280 1.636 18301 7919 1 20 . 1 1 72 72 ALA C C 72 176.245 176.245 176.765 -0.520 18301 7920 1 20 . 1 1 72 72 ALA CA C 72 49.669 49.669 53.062 -3.393 18301 7921 1 20 . 1 1 72 72 ALA CB C 72 22.495 22.495 19.242 3.253 18301 7922 1 20 . 1 1 72 72 ALA H H 72 9.580 9.580 7.825 1.755 18301 7923 1 20 . 1 1 73 73 ALA N N 73 121.581 121.581 126.267 -4.686 18301 7924 1 20 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.724 -0.203 18301 7925 1 20 . 1 1 73 73 ALA C C 73 176.162 176.162 176.001 0.161 18301 7926 1 20 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.386 0.357 18301 7927 1 20 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.246 0.383 18301 7928 1 20 . 1 1 73 73 ALA H H 73 8.633 8.633 7.997 0.636 18301 7929 1 20 . 1 1 74 74 ILE N N 74 123.360 123.360 121.786 1.574 18301 7930 1 20 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.787 0.207 18301 7931 1 20 . 1 1 74 74 ILE C C 74 176.217 176.217 176.746 -0.529 18301 7932 1 20 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.924 0.407 18301 7933 1 20 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.133 1.179 18301 7934 1 20 . 1 1 74 74 ILE H H 74 8.962 8.962 8.600 0.362 18301 7935 1 20 . 1 1 75 75 LYS N N 75 130.310 130.310 129.253 1.057 18301 7936 1 20 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.079 0.474 18301 7937 1 20 . 1 1 75 75 LYS C C 75 175.217 175.217 176.371 -1.154 18301 7938 1 20 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.451 -1.994 18301 7939 1 20 . 1 1 75 75 LYS CB C 75 33.272 33.272 33.319 -0.047 18301 7940 1 20 . 1 1 75 75 LYS H H 75 8.842 8.842 8.260 0.582 18301 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 68 2.729 -0.079 2.748 18301 2 1 1 "Average Difference" HA 71 0.369 -0.144 0.342 18301 3 1 1 "Average Difference" C 66 1.364 0.131 1.369 18301 4 1 1 "Average Difference" CA 70 1.138 -0.054 1.145 18301 5 1 1 "Average Difference" CB 62 1.057 -0.246 1.037 18301 6 1 1 "Average Difference" HN 68 0.596 -0.170 0.575 18301 7 1 2 "Average Difference" N 68 3.001 -0.322 3.006 18301 8 1 2 "Average Difference" HA 71 0.384 -0.132 0.364 18301 9 1 2 "Average Difference" C 66 1.237 0.118 1.241 18301 10 1 2 "Average Difference" CA 70 1.299 0.067 1.307 18301 11 1 2 "Average Difference" CB 62 1.058 -0.175 1.052 18301 12 1 2 "Average Difference" HN 68 0.571 -0.180 0.545 18301 13 1 3 "Average Difference" N 68 2.562 -0.269 2.567 18301 14 1 3 "Average Difference" HA 71 0.431 -0.184 0.392 18301 15 1 3 "Average Difference" C 66 1.332 0.087 1.339 18301 16 1 3 "Average Difference" CA 70 1.236 0.012 1.244 18301 17 1 3 "Average Difference" CB 62 1.133 -0.284 1.106 18301 18 1 3 "Average Difference" HN 68 0.617 -0.227 0.578 18301 19 1 4 "Average Difference" N 68 3.029 -0.599 2.991 18301 20 1 4 "Average Difference" HA 71 0.371 -0.130 0.350 18301 21 1 4 "Average Difference" C 66 1.273 0.056 1.282 18301 22 1 4 "Average Difference" CA 70 1.224 0.024 1.232 18301 23 1 4 "Average Difference" CB 62 0.991 -0.190 0.980 18301 24 1 4 "Average Difference" HN 68 0.600 -0.217 0.563 18301 25 1 5 "Average Difference" N 68 3.100 -0.717 3.039 18301 26 1 5 "Average Difference" HA 71 0.398 -0.146 0.373 18301 27 1 5 "Average Difference" C 66 1.360 0.178 1.359 18301 28 1 5 "Average Difference" CA 70 1.488 0.016 1.499 18301 29 1 5 "Average Difference" CB 62 1.056 -0.294 1.023 18301 30 1 5 "Average Difference" HN 68 0.622 -0.197 0.594 18301 31 1 6 "Average Difference" N 68 2.762 -0.358 2.759 18301 32 1 6 "Average Difference" HA 71 0.366 -0.151 0.336 18301 33 1 6 "Average Difference" C 66 1.284 0.046 1.293 18301 34 1 6 "Average Difference" CA 70 1.121 0.001 1.129 18301 35 1 6 "Average Difference" CB 62 1.106 -0.215 1.094 18301 36 1 6 "Average Difference" HN 68 0.581 -0.168 0.560 18301 37 1 7 "Average Difference" N 68 2.750 -0.482 2.728 18301 38 1 7 "Average Difference" HA 71 0.408 -0.161 0.377 18301 39 1 7 "Average Difference" C 66 1.272 0.071 1.280 18301 40 1 7 "Average Difference" CA 70 1.257 0.055 1.265 18301 41 1 7 "Average Difference" CB 62 1.073 -0.254 1.051 18301 42 1 7 "Average Difference" HN 68 0.674 -0.264 0.625 18301 43 1 8 "Average Difference" N 68 2.606 -0.269 2.612 18301 44 1 8 "Average Difference" HA 71 0.382 -0.148 0.355 18301 45 1 8 "Average Difference" C 66 1.258 0.058 1.266 18301 46 1 8 "Average Difference" CA 70 1.166 0.023 1.175 18301 47 1 8 "Average Difference" CB 62 0.998 -0.180 0.990 18301 48 1 8 "Average Difference" HN 68 0.596 -0.236 0.551 18301 49 1 9 "Average Difference" N 68 2.729 -0.390 2.721 18301 50 1 9 "Average Difference" HA 71 0.394 -0.142 0.371 18301 51 1 9 "Average Difference" C 66 1.320 0.042 1.329 18301 52 1 9 "Average Difference" CA 70 1.279 -0.011 1.288 18301 53 1 9 "Average Difference" CB 62 1.036 -0.291 1.003 18301 54 1 9 "Average Difference" HN 68 0.633 -0.265 0.579 18301 55 1 10 "Average Difference" N 68 2.444 -0.369 2.434 18301 56 1 10 "Average Difference" HA 71 0.429 -0.164 0.399 18301 57 1 10 "Average Difference" C 66 1.365 0.071 1.374 18301 58 1 10 "Average Difference" CA 70 1.287 -0.053 1.295 18301 59 1 10 "Average Difference" CB 62 1.183 -0.347 1.140 18301 60 1 10 "Average Difference" HN 68 0.625 -0.235 0.583 18301 61 1 11 "Average Difference" N 68 2.833 -0.330 2.834 18301 62 1 11 "Average Difference" HA 71 0.406 -0.134 0.385 18301 63 1 11 "Average Difference" C 66 1.279 0.087 1.286 18301 64 1 11 "Average Difference" CA 70 1.345 0.140 1.348 18301 65 1 11 "Average Difference" CB 62 1.180 -0.235 1.166 18301 66 1 11 "Average Difference" HN 68 0.632 -0.218 0.598 18301 67 1 12 "Average Difference" N 68 3.120 -0.606 3.084 18301 68 1 12 "Average Difference" HA 71 0.417 -0.171 0.383 18301 69 1 12 "Average Difference" C 66 1.323 0.063 1.331 18301 70 1 12 "Average Difference" CA 70 1.215 -0.027 1.223 18301 71 1 12 "Average Difference" CB 62 1.155 -0.315 1.121 18301 72 1 12 "Average Difference" HN 68 0.628 -0.246 0.583 18301 73 1 13 "Average Difference" N 68 2.784 -0.594 2.740 18301 74 1 13 "Average Difference" HA 71 0.382 -0.144 0.356 18301 75 1 13 "Average Difference" C 66 1.338 0.083 1.345 18301 76 1 13 "Average Difference" CA 70 1.205 0.042 1.213 18301 77 1 13 "Average Difference" CB 62 1.154 -0.216 1.142 18301 78 1 13 "Average Difference" HN 68 0.628 -0.211 0.596 18301 79 1 14 "Average Difference" N 68 2.909 -0.597 2.868 18301 80 1 14 "Average Difference" HA 71 0.404 -0.164 0.372 18301 81 1 14 "Average Difference" C 66 1.320 0.135 1.323 18301 82 1 14 "Average Difference" CA 70 1.216 0.002 1.225 18301 83 1 14 "Average Difference" CB 62 1.070 -0.275 1.043 18301 84 1 14 "Average Difference" HN 68 0.624 -0.227 0.586 18301 85 1 15 "Average Difference" N 68 2.900 -0.432 2.889 18301 86 1 15 "Average Difference" HA 71 0.402 -0.150 0.376 18301 87 1 15 "Average Difference" C 66 1.258 0.125 1.262 18301 88 1 15 "Average Difference" CA 70 1.361 0.046 1.370 18301 89 1 15 "Average Difference" CB 62 1.083 -0.269 1.058 18301 90 1 15 "Average Difference" HN 68 0.616 -0.206 0.584 18301 91 1 16 "Average Difference" N 68 3.463 -0.826 3.388 18301 92 1 16 "Average Difference" HA 71 0.418 -0.171 0.384 18301 93 1 16 "Average Difference" C 66 1.317 0.069 1.326 18301 94 1 16 "Average Difference" CA 70 1.274 0.128 1.276 18301 95 1 16 "Average Difference" CB 62 1.246 -0.307 1.218 18301 96 1 16 "Average Difference" HN 68 0.621 -0.220 0.585 18301 97 1 17 "Average Difference" N 68 3.134 -0.705 3.076 18301 98 1 17 "Average Difference" HA 71 0.415 -0.168 0.382 18301 99 1 17 "Average Difference" C 66 1.300 0.066 1.308 18301 100 1 17 "Average Difference" CA 70 1.269 0.023 1.278 18301 101 1 17 "Average Difference" CB 62 1.237 -0.313 1.206 18301 102 1 17 "Average Difference" HN 68 0.615 -0.204 0.585 18301 103 1 18 "Average Difference" N 68 3.176 -0.647 3.133 18301 104 1 18 "Average Difference" HA 71 0.381 -0.122 0.363 18301 105 1 18 "Average Difference" C 66 1.290 0.125 1.294 18301 106 1 18 "Average Difference" CA 70 1.452 -0.046 1.462 18301 107 1 18 "Average Difference" CB 62 1.035 -0.236 1.016 18301 108 1 18 "Average Difference" HN 68 0.642 -0.239 0.601 18301 109 1 19 "Average Difference" N 68 2.812 -0.456 2.795 18301 110 1 19 "Average Difference" HA 71 0.384 -0.139 0.361 18301 111 1 19 "Average Difference" C 66 1.255 0.094 1.261 18301 112 1 19 "Average Difference" CA 70 1.432 0.080 1.440 18301 113 1 19 "Average Difference" CB 62 0.989 -0.194 0.977 18301 114 1 19 "Average Difference" HN 68 0.672 -0.260 0.625 18301 115 1 20 "Average Difference" N 68 3.143 -0.716 3.083 18301 116 1 20 "Average Difference" HA 71 0.413 -0.151 0.387 18301 117 1 20 "Average Difference" C 66 1.315 0.082 1.322 18301 118 1 20 "Average Difference" CA 70 1.420 0.028 1.430 18301 119 1 20 "Average Difference" CB 62 1.033 -0.228 1.016 18301 120 1 20 "Average Difference" HN 68 0.618 -0.253 0.568 18301 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 18301 _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 4 4 MET N N 4 121.245 121.245 118.617 2.628 18301 2 1 . 1 1 4 4 MET HA H 4 4.302 4.302 4.501 -0.199 18301 3 1 . 1 1 4 4 MET C C 4 175.828 175.828 175.924 -0.096 18301 4 1 . 1 1 4 4 MET CA C 4 56.414 56.414 55.482 0.932 18301 5 1 . 1 1 4 4 MET CB C 4 32.361 32.361 32.662 -0.301 18301 6 1 . 1 1 4 4 MET H H 4 8.363 8.363 8.103 0.260 18301 7 1 . 1 1 5 5 GLN N N 5 121.670 121.670 119.499 2.171 18301 8 1 . 1 1 5 5 GLN HA H 5 4.250 4.250 4.300 -0.050 18301 9 1 . 1 1 5 5 GLN C C 5 175.245 175.245 175.612 -0.367 18301 10 1 . 1 1 5 5 GLN CA C 5 56.500 56.500 56.129 0.370 18301 11 1 . 1 1 5 5 GLN CB C 5 29.319 29.319 29.105 0.213 18301 12 1 . 1 1 5 5 GLN H H 5 8.266 8.266 8.284 -0.018 18301 13 1 . 1 1 6 6 GLU N N 6 120.500 120.500 118.813 1.687 18301 14 1 . 1 1 6 6 GLU HA H 6 4.777 4.777 4.068 0.709 18301 15 1 . 1 1 6 6 GLU C C 6 174.619 174.619 175.163 -0.544 18301 16 1 . 1 1 6 6 GLU CA C 6 55.039 55.039 56.223 -1.184 18301 17 1 . 1 1 6 6 GLU CB C 6 32.664 32.664 29.836 2.828 18301 18 1 . 1 1 6 6 GLU H H 6 8.238 8.238 7.780 0.458 18301 19 1 . 1 1 7 7 ALA N N 7 125.790 125.790 126.456 -0.666 18301 20 1 . 1 1 7 7 ALA HA H 7 4.562 4.562 4.733 -0.171 18301 21 1 . 1 1 7 7 ALA C C 7 173.633 173.633 175.385 -1.752 18301 22 1 . 1 1 7 7 ALA CA C 7 50.270 50.270 50.784 -0.514 18301 23 1 . 1 1 7 7 ALA CB C 7 22.412 22.412 21.672 0.740 18301 24 1 . 1 1 7 7 ALA H H 7 8.838 8.838 8.215 0.623 18301 25 1 . 1 1 8 8 VAL N N 8 117.770 117.770 120.934 -3.164 18301 26 1 . 1 1 8 8 VAL HA H 8 5.366 5.366 5.026 0.340 18301 27 1 . 1 1 8 8 VAL C C 8 176.717 176.717 175.349 1.368 18301 28 1 . 1 1 8 8 VAL CA C 8 60.582 60.582 60.743 -0.161 18301 29 1 . 1 1 8 8 VAL CB C 8 34.923 34.923 34.622 0.301 18301 30 1 . 1 1 8 8 VAL H H 8 8.340 8.340 8.410 -0.070 18301 31 1 . 1 1 9 9 VAL N N 9 128.140 128.140 125.579 2.561 18301 32 1 . 1 1 9 9 VAL HA H 9 4.825 4.825 4.483 0.342 18301 33 1 . 1 1 9 9 VAL C C 9 170.910 170.910 174.241 -3.331 18301 34 1 . 1 1 9 9 VAL CA C 9 59.121 59.121 60.136 -1.015 18301 35 1 . 1 1 9 9 VAL CB C 9 34.879 34.879 34.639 0.240 18301 36 1 . 1 1 9 9 VAL H H 9 9.560 9.560 9.114 0.446 18301 37 1 . 1 1 10 10 LYS N N 10 126.441 126.441 126.259 0.182 18301 38 1 . 1 1 10 10 LYS HA H 10 5.396 5.396 4.987 0.409 18301 39 1 . 1 1 10 10 LYS C C 10 175.078 175.078 175.095 -0.017 18301 40 1 . 1 1 10 10 LYS CA C 10 54.395 54.395 54.835 -0.440 18301 41 1 . 1 1 10 10 LYS CB C 10 34.184 34.184 33.465 0.719 18301 42 1 . 1 1 10 10 LYS H H 10 8.821 8.821 8.378 0.443 18301 43 1 . 1 1 11 11 LEU N N 11 119.930 119.930 123.563 -3.633 18301 44 1 . 1 1 11 11 LEU HA H 11 5.371 5.371 4.879 0.492 18301 45 1 . 1 1 11 11 LEU C C 11 177.801 177.801 175.712 2.089 18301 46 1 . 1 1 11 11 LEU CA C 11 51.903 51.903 53.802 -1.899 18301 47 1 . 1 1 11 11 LEU CB C 11 43.914 43.914 46.059 -2.145 18301 48 1 . 1 1 11 11 LEU H H 11 9.277 9.277 9.085 0.192 18301 49 1 . 1 1 12 12 ARG N N 12 125.200 125.200 121.763 3.437 18301 50 1 . 1 1 12 12 ARG HA H 12 4.904 4.904 4.465 0.439 18301 51 1 . 1 1 12 12 ARG C C 12 175.773 175.773 175.397 0.376 18301 52 1 . 1 1 12 12 ARG CA C 12 55.641 55.641 55.587 0.053 18301 53 1 . 1 1 12 12 ARG CB C 12 31.013 31.013 31.144 -0.131 18301 54 1 . 1 1 12 12 ARG H H 12 9.300 9.300 8.580 0.720 18301 55 1 . 1 1 13 13 VAL N N 13 126.780 126.780 126.672 0.108 18301 56 1 . 1 1 13 13 VAL HA H 13 4.511 4.511 4.287 0.224 18301 57 1 . 1 1 13 13 VAL C C 13 174.564 174.564 175.782 -1.218 18301 58 1 . 1 1 13 13 VAL CA C 13 61.785 61.785 62.348 -0.563 18301 59 1 . 1 1 13 13 VAL CB C 13 33.706 33.706 32.407 1.299 18301 60 1 . 1 1 13 13 VAL H H 13 8.110 8.110 8.156 -0.046 18301 61 1 . 1 1 14 14 GLU N N 14 126.510 126.510 126.434 0.076 18301 62 1 . 1 1 14 14 GLU HA H 14 4.665 4.665 4.428 0.237 18301 63 1 . 1 1 14 14 GLU C C 14 176.426 176.426 177.293 -0.867 18301 64 1 . 1 1 14 14 GLU CA C 14 55.383 55.383 56.391 -1.008 18301 65 1 . 1 1 14 14 GLU CB C 14 31.621 31.621 30.587 1.034 18301 66 1 . 1 1 14 14 GLU H H 14 9.100 9.100 8.683 0.417 18301 67 1 . 1 1 15 15 GLY N N 15 108.020 108.020 107.912 0.108 18301 68 1 . 1 1 15 15 GLY C C 15 175.884 175.884 174.650 1.234 18301 69 1 . 1 1 15 15 GLY CA C 15 44.900 44.900 45.114 -0.214 18301 70 1 . 1 1 15 15 GLY H H 15 8.680 8.680 8.145 0.535 18301 71 1 . 1 1 16 16 MET N N 16 120.590 120.590 119.050 1.540 18301 72 1 . 1 1 16 16 MET HA H 16 4.880 4.880 4.248 0.632 18301 73 1 . 1 1 16 16 MET C C 16 177.342 177.342 175.900 1.442 18301 74 1 . 1 1 16 16 MET CA C 16 56.672 56.672 56.459 0.213 18301 75 1 . 1 1 16 16 MET H H 16 9.033 9.033 7.904 1.129 18301 76 1 . 1 1 17 17 THR N N 17 123.321 123.321 114.220 9.101 18301 77 1 . 1 1 17 17 THR C C 17 176.231 176.231 174.555 1.676 18301 78 1 . 1 1 17 17 THR CA C 17 57.114 57.114 62.389 -5.275 18301 79 1 . 1 1 17 17 THR H H 17 8.591 8.591 8.217 0.374 18301 80 1 . 1 1 18 18 CYS N N 18 120.560 120.560 119.500 1.060 18301 81 1 . 1 1 18 18 CYS HA H 18 5.060 5.060 4.389 0.671 18301 82 1 . 1 1 18 18 CYS C C 18 174.467 174.467 174.765 -0.298 18301 83 1 . 1 1 18 18 CYS CA C 18 57.500 57.500 59.402 -1.902 18301 84 1 . 1 1 18 18 CYS CB C 18 30.996 30.996 28.259 2.737 18301 85 1 . 1 1 18 18 CYS H H 18 8.809 8.809 8.232 0.577 18301 86 1 . 1 1 20 20 SER N N 20 123.434 123.434 117.446 5.988 18301 87 1 . 1 1 20 20 SER HA H 20 4.461 4.461 4.451 0.010 18301 88 1 . 1 1 20 20 SER C C 20 177.009 177.009 175.253 1.756 18301 89 1 . 1 1 20 20 SER CA C 20 62.214 62.214 58.177 4.037 18301 90 1 . 1 1 20 20 SER H H 20 8.297 8.297 8.637 -0.340 18301 91 1 . 1 1 21 21 CYS N N 21 125.740 125.740 121.305 4.435 18301 92 1 . 1 1 21 21 CYS HA H 21 4.060 4.060 4.265 -0.205 18301 93 1 . 1 1 21 21 CYS C C 21 177.495 177.495 176.158 1.337 18301 94 1 . 1 1 21 21 CYS CA C 21 63.546 63.546 61.472 2.074 18301 95 1 . 1 1 21 21 CYS CB C 21 28.800 28.800 27.164 1.636 18301 96 1 . 1 1 21 21 CYS H H 21 7.861 7.861 8.380 -0.519 18301 97 1 . 1 1 22 22 VAL N N 22 118.130 118.130 120.423 -2.293 18301 98 1 . 1 1 22 22 VAL HA H 22 3.210 3.210 3.510 -0.300 18301 99 1 . 1 1 22 22 VAL C C 22 177.843 177.843 177.955 -0.112 18301 100 1 . 1 1 22 22 VAL CA C 22 66.425 66.425 66.716 -0.291 18301 101 1 . 1 1 22 22 VAL CB C 22 31.534 31.534 31.362 0.172 18301 102 1 . 1 1 22 22 VAL H H 22 6.860 6.860 8.121 -1.261 18301 103 1 . 1 1 23 23 SER N N 23 112.820 112.820 114.051 -1.231 18301 104 1 . 1 1 23 23 SER HA H 23 4.220 4.220 4.151 0.069 18301 105 1 . 1 1 23 23 SER C C 23 178.162 178.162 176.636 1.526 18301 106 1 . 1 1 23 23 SER CA C 23 61.398 61.398 61.754 -0.357 18301 107 1 . 1 1 23 23 SER CB C 23 62.550 62.550 62.757 -0.207 18301 108 1 . 1 1 23 23 SER H H 23 8.341 8.341 7.845 0.496 18301 109 1 . 1 1 24 24 SER N N 24 119.341 119.341 117.695 1.646 18301 110 1 . 1 1 24 24 SER HA H 24 4.859 4.859 4.279 0.580 18301 111 1 . 1 1 24 24 SER C C 24 176.856 176.856 176.667 0.189 18301 112 1 . 1 1 24 24 SER CA C 24 61.570 61.570 61.348 0.222 18301 113 1 . 1 1 24 24 SER CB C 24 62.506 62.506 63.118 -0.612 18301 114 1 . 1 1 24 24 SER H H 24 8.286 8.286 7.538 0.748 18301 115 1 . 1 1 25 25 ILE N N 25 122.340 122.340 122.027 0.313 18301 116 1 . 1 1 25 25 ILE HA H 25 3.592 3.592 3.811 -0.219 18301 117 1 . 1 1 25 25 ILE C C 25 177.912 177.912 177.710 0.202 18301 118 1 . 1 1 25 25 ILE CA C 25 66.038 66.038 64.662 1.376 18301 119 1 . 1 1 25 25 ILE CB C 25 38.485 38.485 37.658 0.827 18301 120 1 . 1 1 25 25 ILE H H 25 8.057 8.057 8.168 -0.111 18301 121 1 . 1 1 26 26 GLU N N 26 117.081 117.081 119.950 -2.869 18301 122 1 . 1 1 26 26 GLU HA H 26 3.555 3.555 4.001 -0.446 18301 123 1 . 1 1 26 26 GLU C C 26 178.523 178.523 179.224 -0.701 18301 124 1 . 1 1 26 26 GLU CA C 26 60.625 60.625 59.474 1.151 18301 125 1 . 1 1 26 26 GLU CB C 26 29.821 29.821 29.386 0.435 18301 126 1 . 1 1 26 26 GLU H H 26 8.504 8.504 7.863 0.641 18301 127 1 . 1 1 27 27 GLY N N 27 102.731 102.731 106.741 -4.010 18301 128 1 . 1 1 27 27 GLY C C 27 175.925 175.925 176.217 -0.292 18301 129 1 . 1 1 27 27 GLY CA C 27 46.833 46.833 46.649 0.184 18301 130 1 . 1 1 27 27 GLY H H 27 8.231 8.231 7.842 0.389 18301 131 1 . 1 1 28 28 LYS N N 28 119.316 119.316 121.573 -2.257 18301 132 1 . 1 1 28 28 LYS HA H 28 4.110 4.110 4.120 -0.010 18301 133 1 . 1 1 28 28 LYS CA C 28 59.029 59.029 58.540 0.489 18301 134 1 . 1 1 28 28 LYS CB C 28 32.916 32.916 32.016 0.900 18301 135 1 . 1 1 28 28 LYS H H 28 7.640 7.640 7.519 0.121 18301 136 1 . 1 1 29 29 VAL N N 29 118.845 118.845 118.799 0.046 18301 137 1 . 1 1 29 29 VAL HA H 29 3.450 3.450 3.720 -0.270 18301 138 1 . 1 1 29 29 VAL C C 29 177.259 177.259 178.078 -0.819 18301 139 1 . 1 1 29 29 VAL CA C 29 65.737 65.737 65.842 -0.105 18301 140 1 . 1 1 29 29 VAL CB C 29 31.317 31.317 31.590 -0.273 18301 141 1 . 1 1 29 29 VAL H H 29 8.577 8.577 7.611 0.966 18301 142 1 . 1 1 30 30 ARG N N 30 115.480 115.480 117.772 -2.292 18301 143 1 . 1 1 30 30 ARG HA H 30 3.820 3.820 4.091 -0.271 18301 144 1 . 1 1 30 30 ARG C C 30 176.717 176.717 177.288 -0.571 18301 145 1 . 1 1 30 30 ARG CA C 30 58.648 58.648 58.298 0.350 18301 146 1 . 1 1 30 30 ARG CB C 30 30.101 30.101 29.970 0.132 18301 147 1 . 1 1 30 30 ARG H H 30 8.083 8.083 7.659 0.424 18301 148 1 . 1 1 31 31 LYS N N 31 114.395 114.395 116.216 -1.821 18301 149 1 . 1 1 31 31 LYS HA H 31 4.191 4.191 4.280 -0.089 18301 150 1 . 1 1 31 31 LYS C C 31 176.870 176.870 176.863 0.007 18301 151 1 . 1 1 31 31 LYS CA C 31 56.242 56.242 55.691 0.552 18301 152 1 . 1 1 31 31 LYS CB C 31 32.924 32.924 32.857 0.067 18301 153 1 . 1 1 31 31 LYS H H 31 6.757 6.757 7.801 -1.044 18301 154 1 . 1 1 32 32 LEU N N 32 121.290 121.290 121.898 -0.608 18301 155 1 . 1 1 32 32 LEU HA H 32 4.095 4.095 4.191 -0.096 18301 156 1 . 1 1 32 32 LEU C C 32 177.398 177.398 177.397 0.001 18301 157 1 . 1 1 32 32 LEU CA C 32 54.653 54.653 54.886 -0.233 18301 158 1 . 1 1 32 32 LEU CB C 32 41.308 41.308 41.963 -0.655 18301 159 1 . 1 1 32 32 LEU H H 32 7.386 7.386 7.497 -0.111 18301 160 1 . 1 1 33 33 GLN N N 33 124.330 124.330 123.765 0.565 18301 161 1 . 1 1 33 33 GLN HA H 33 4.090 4.090 4.236 -0.146 18301 162 1 . 1 1 33 33 GLN C C 33 175.661 175.661 177.054 -1.393 18301 163 1 . 1 1 33 33 GLN CA C 33 56.895 56.895 57.521 -0.626 18301 164 1 . 1 1 33 33 GLN CB C 33 28.077 28.077 28.980 -0.903 18301 165 1 . 1 1 33 33 GLN H H 33 8.650 8.650 8.533 0.117 18301 166 1 . 1 1 34 34 GLY N N 34 109.990 109.990 107.929 2.061 18301 167 1 . 1 1 34 34 GLY C C 34 173.911 173.911 175.085 -1.174 18301 168 1 . 1 1 34 34 GLY CA C 34 45.544 45.544 45.163 0.381 18301 169 1 . 1 1 34 34 GLY H H 34 8.759 8.759 8.044 0.715 18301 170 1 . 1 1 35 35 VAL N N 35 119.540 119.540 121.430 -1.890 18301 171 1 . 1 1 35 35 VAL HA H 35 3.850 3.850 3.953 -0.103 18301 172 1 . 1 1 35 35 VAL C C 35 175.759 175.759 176.194 -0.435 18301 173 1 . 1 1 35 35 VAL CA C 35 63.803 63.803 63.867 -0.064 18301 174 1 . 1 1 35 35 VAL CB C 35 31.426 31.426 32.628 -1.202 18301 175 1 . 1 1 35 35 VAL H H 35 7.600 7.600 7.845 -0.245 18301 176 1 . 1 1 36 36 VAL N N 36 130.030 130.030 125.910 4.120 18301 177 1 . 1 1 36 36 VAL HA H 36 3.912 3.912 4.081 -0.169 18301 178 1 . 1 1 36 36 VAL C C 36 176.023 176.023 175.712 0.311 18301 179 1 . 1 1 36 36 VAL CA C 36 64.200 64.200 63.912 0.288 18301 180 1 . 1 1 36 36 VAL CB C 36 33.680 33.680 32.645 1.035 18301 181 1 . 1 1 36 36 VAL H H 36 9.141 9.141 8.862 0.279 18301 182 1 . 1 1 37 37 ARG N N 37 116.750 116.750 115.263 1.487 18301 183 1 . 1 1 37 37 ARG HA H 37 4.641 4.641 4.534 0.107 18301 184 1 . 1 1 37 37 ARG C C 37 173.230 173.230 173.379 -0.149 18301 185 1 . 1 1 37 37 ARG CA C 37 55.581 55.581 55.149 0.432 18301 186 1 . 1 1 37 37 ARG CB C 37 33.937 33.937 33.968 -0.031 18301 187 1 . 1 1 37 37 ARG H H 37 7.859 7.859 7.699 0.160 18301 188 1 . 1 1 38 38 VAL N N 38 119.900 119.900 120.277 -0.377 18301 189 1 . 1 1 38 38 VAL HA H 38 4.979 4.979 4.724 0.255 18301 190 1 . 1 1 38 38 VAL C C 38 171.841 171.841 174.488 -2.647 18301 191 1 . 1 1 38 38 VAL CA C 38 59.637 59.637 60.612 -0.975 18301 192 1 . 1 1 38 38 VAL CB C 38 33.359 33.359 34.168 -0.809 18301 193 1 . 1 1 38 38 VAL H H 38 8.785 8.785 8.498 0.287 18301 194 1 . 1 1 39 39 LYS N N 39 126.750 126.750 128.815 -2.065 18301 195 1 . 1 1 39 39 LYS HA H 39 4.810 4.810 4.631 0.179 18301 196 1 . 1 1 39 39 LYS C C 39 175.634 175.634 174.962 0.672 18301 197 1 . 1 1 39 39 LYS CA C 39 54.438 54.438 54.623 -0.185 18301 198 1 . 1 1 39 39 LYS CB C 39 35.357 35.357 34.250 1.107 18301 199 1 . 1 1 39 39 LYS H H 39 8.360 8.360 8.590 -0.230 18301 200 1 . 1 1 40 40 VAL N N 40 131.410 131.410 124.881 6.529 18301 201 1 . 1 1 40 40 VAL HA H 40 4.787 4.787 4.213 0.574 18301 202 1 . 1 1 40 40 VAL C C 40 173.522 173.522 175.126 -1.604 18301 203 1 . 1 1 40 40 VAL CA C 40 60.968 60.968 61.897 -0.929 18301 204 1 . 1 1 40 40 VAL CB C 40 32.403 32.403 33.371 -0.968 18301 205 1 . 1 1 40 40 VAL H H 40 10.183 10.183 8.434 1.749 18301 206 1 . 1 1 41 41 SER N N 41 120.470 120.470 121.852 -1.382 18301 207 1 . 1 1 41 41 SER HA H 41 4.852 4.852 4.796 0.056 18301 208 1 . 1 1 41 41 SER C C 41 175.217 175.217 174.773 0.444 18301 209 1 . 1 1 41 41 SER CA C 41 55.039 55.039 55.897 -0.858 18301 210 1 . 1 1 41 41 SER CB C 41 64.710 64.710 63.516 1.194 18301 211 1 . 1 1 41 41 SER H H 41 8.868 8.868 8.246 0.622 18301 212 1 . 1 1 42 42 LEU N N 42 130.390 130.390 127.743 2.647 18301 213 1 . 1 1 42 42 LEU HA H 42 4.810 4.810 4.405 0.405 18301 214 1 . 1 1 42 42 LEU C C 42 179.982 179.982 177.611 2.371 18301 215 1 . 1 1 42 42 LEU CA C 42 57.875 57.875 56.962 0.913 18301 216 1 . 1 1 42 42 LEU CB C 42 42.030 42.030 41.673 0.357 18301 217 1 . 1 1 42 42 LEU H H 42 8.998 8.998 8.846 0.152 18301 218 1 . 1 1 44 44 ASN N N 44 116.079 116.079 118.071 -1.992 18301 219 1 . 1 1 44 44 ASN HA H 44 4.844 4.844 4.859 -0.015 18301 220 1 . 1 1 44 44 ASN C C 44 173.786 173.786 174.267 -0.481 18301 221 1 . 1 1 44 44 ASN CA C 44 52.290 52.290 52.627 -0.337 18301 222 1 . 1 1 44 44 ASN CB C 44 38.180 38.180 39.122 -0.943 18301 223 1 . 1 1 44 44 ASN H H 44 7.812 7.812 7.520 0.292 18301 224 1 . 1 1 45 45 GLN N N 45 117.658 117.658 114.537 3.121 18301 225 1 . 1 1 45 45 GLN HA H 45 3.601 3.601 3.920 -0.318 18301 226 1 . 1 1 45 45 GLN C C 45 175.314 175.314 173.932 1.382 18301 227 1 . 1 1 45 45 GLN CA C 45 56.930 56.930 57.167 -0.237 18301 228 1 . 1 1 45 45 GLN CB C 45 26.061 26.061 26.349 -0.287 18301 229 1 . 1 1 45 45 GLN H H 45 7.679 7.679 7.709 -0.030 18301 230 1 . 1 1 46 46 GLU N N 46 116.510 116.510 116.219 0.291 18301 231 1 . 1 1 46 46 GLU HA H 46 5.694 5.694 4.831 0.863 18301 232 1 . 1 1 46 46 GLU C C 46 173.869 173.869 173.846 0.023 18301 233 1 . 1 1 46 46 GLU CA C 46 54.395 54.395 53.942 0.453 18301 234 1 . 1 1 46 46 GLU CB C 46 35.531 35.531 34.171 1.360 18301 235 1 . 1 1 46 46 GLU H H 46 7.780 7.780 7.808 -0.028 18301 236 1 . 1 1 47 47 ALA N N 47 124.870 124.870 122.810 2.060 18301 237 1 . 1 1 47 47 ALA HA H 47 5.107 5.107 4.702 0.405 18301 238 1 . 1 1 47 47 ALA C C 47 174.758 174.758 175.055 -0.297 18301 239 1 . 1 1 47 47 ALA CA C 47 49.798 49.798 50.786 -0.988 18301 240 1 . 1 1 47 47 ALA CB C 47 22.076 22.076 21.602 0.474 18301 241 1 . 1 1 47 47 ALA H H 47 9.170 9.170 8.879 0.291 18301 242 1 . 1 1 48 48 VAL N N 48 123.890 123.890 124.646 -0.756 18301 243 1 . 1 1 48 48 VAL HA H 48 4.572 4.572 4.638 -0.066 18301 244 1 . 1 1 48 48 VAL C C 48 176.217 176.217 174.773 1.444 18301 245 1 . 1 1 48 48 VAL CA C 48 62.644 62.644 61.245 1.399 18301 246 1 . 1 1 48 48 VAL CB C 48 32.533 32.533 33.573 -1.040 18301 247 1 . 1 1 48 48 VAL H H 48 8.930 8.930 8.892 0.038 18301 248 1 . 1 1 49 49 ILE N N 49 129.890 129.890 128.949 0.941 18301 249 1 . 1 1 49 49 ILE HA H 49 4.840 4.840 4.446 0.394 18301 250 1 . 1 1 49 49 ILE C C 49 174.619 174.619 174.925 -0.306 18301 251 1 . 1 1 49 49 ILE CA C 49 60.410 60.410 60.480 -0.070 18301 252 1 . 1 1 49 49 ILE CB C 49 40.917 40.917 40.051 0.866 18301 253 1 . 1 1 49 49 ILE H H 49 9.340 9.340 9.249 0.091 18301 254 1 . 1 1 50 50 THR N N 50 125.910 125.910 124.724 1.186 18301 255 1 . 1 1 50 50 THR HA H 50 5.486 5.486 4.789 0.697 18301 256 1 . 1 1 50 50 THR C C 50 174.286 174.286 173.788 0.498 18301 257 1 . 1 1 50 50 THR CA C 50 61.871 61.871 62.289 -0.418 18301 258 1 . 1 1 50 50 THR CB C 50 68.762 68.762 69.230 -0.468 18301 259 1 . 1 1 50 50 THR H H 50 9.225 9.225 8.908 0.317 18301 260 1 . 1 1 51 51 TYR N N 51 127.720 127.720 125.664 2.056 18301 261 1 . 1 1 51 51 TYR HA H 51 5.665 5.665 5.009 0.656 18301 262 1 . 1 1 51 51 TYR C C 51 171.758 171.758 172.776 -1.018 18301 263 1 . 1 1 51 51 TYR CA C 51 55.125 55.125 55.467 -0.342 18301 264 1 . 1 1 51 51 TYR CB C 51 41.544 41.544 40.677 0.867 18301 265 1 . 1 1 51 51 TYR H H 51 9.846 9.846 9.358 0.488 18301 266 1 . 1 1 52 52 GLN N N 52 120.470 120.470 118.100 2.370 18301 267 1 . 1 1 52 52 GLN HA H 52 5.023 5.023 4.575 0.448 18301 268 1 . 1 1 52 52 GLN C C 52 175.286 175.286 174.010 1.276 18301 269 1 . 1 1 52 52 GLN CA C 52 51.989 51.989 51.425 0.564 18301 270 1 . 1 1 52 52 GLN H H 52 9.072 9.072 8.509 0.563 18301 271 1 . 1 1 53 53 PRO CA C 53 63.718 63.718 64.510 -0.792 18301 272 1 . 1 1 53 53 PRO CB C 53 32.403 32.403 32.061 0.342 18301 273 1 . 1 1 54 54 TYR N N 54 114.650 114.650 116.958 -2.308 18301 274 1 . 1 1 54 54 TYR HA H 54 4.401 4.401 4.460 -0.059 18301 275 1 . 1 1 54 54 TYR C C 54 175.689 175.689 175.279 0.410 18301 276 1 . 1 1 54 54 TYR CA C 54 58.734 58.734 59.117 -0.383 18301 277 1 . 1 1 54 54 TYR CB C 54 37.572 37.572 38.777 -1.205 18301 278 1 . 1 1 54 54 TYR H H 54 8.158 8.158 8.122 0.036 18301 279 1 . 1 1 55 55 LEU N N 55 117.788 117.788 117.793 -0.005 18301 280 1 . 1 1 55 55 LEU HA H 55 4.412 4.412 4.407 0.005 18301 281 1 . 1 1 55 55 LEU C C 55 175.786 175.786 176.847 -1.061 18301 282 1 . 1 1 55 55 LEU CA C 55 55.039 55.039 54.973 0.066 18301 283 1 . 1 1 55 55 LEU CB C 55 45.869 45.869 43.403 2.466 18301 284 1 . 1 1 55 55 LEU H H 55 7.968 7.968 7.296 0.672 18301 285 1 . 1 1 56 56 ILE N N 56 121.565 121.565 117.883 3.682 18301 286 1 . 1 1 56 56 ILE HA H 56 4.421 4.421 4.379 0.042 18301 287 1 . 1 1 56 56 ILE C C 56 170.396 170.396 174.237 -3.841 18301 288 1 . 1 1 56 56 ILE CA C 56 61.355 61.355 59.154 2.201 18301 289 1 . 1 1 56 56 ILE CB C 56 40.787 40.787 41.574 -0.787 18301 290 1 . 1 1 56 56 ILE H H 56 8.211 8.211 7.844 0.367 18301 291 1 . 1 1 57 57 GLN N N 57 119.400 119.400 124.528 -5.128 18301 292 1 . 1 1 57 57 GLN HA H 57 4.993 4.993 4.856 0.137 18301 293 1 . 1 1 57 57 GLN C C 57 175.911 175.911 174.856 1.055 18301 294 1 . 1 1 57 57 GLN CA C 57 52.247 52.247 54.566 -2.319 18301 295 1 . 1 1 57 57 GLN CB C 57 29.884 29.884 29.071 0.812 18301 296 1 . 1 1 57 57 GLN H H 57 7.953 7.953 8.683 -0.730 18301 297 1 . 1 1 58 58 PRO CA C 58 66.080 66.080 65.593 0.487 18301 298 1 . 1 1 58 58 PRO CB C 58 31.800 31.800 31.878 -0.078 18301 299 1 . 1 1 59 59 GLU N N 59 116.700 116.700 118.581 -1.881 18301 300 1 . 1 1 59 59 GLU HA H 59 3.577 3.577 3.968 -0.391 18301 301 1 . 1 1 59 59 GLU C C 59 177.634 177.634 178.359 -0.725 18301 302 1 . 1 1 59 59 GLU CA C 59 61.355 61.355 59.921 1.434 18301 303 1 . 1 1 59 59 GLU CB C 59 28.407 28.407 28.878 -0.471 18301 304 1 . 1 1 59 59 GLU H H 59 9.588 9.588 8.620 0.968 18301 305 1 . 1 1 60 60 ASP N N 60 116.670 116.670 118.413 -1.743 18301 306 1 . 1 1 60 60 ASP HA H 60 4.271 4.271 4.455 -0.184 18301 307 1 . 1 1 60 60 ASP C C 60 178.898 178.898 178.661 0.237 18301 308 1 . 1 1 60 60 ASP CA C 60 56.887 56.887 57.115 -0.228 18301 309 1 . 1 1 60 60 ASP CB C 60 40.726 40.726 40.611 0.115 18301 310 1 . 1 1 60 60 ASP H H 60 6.994 6.994 8.308 -1.314 18301 311 1 . 1 1 61 61 LEU N N 61 120.023 120.023 118.353 1.670 18301 312 1 . 1 1 61 61 LEU HA H 61 3.759 3.759 4.214 -0.455 18301 313 1 . 1 1 61 61 LEU C C 61 177.009 177.009 178.187 -1.178 18301 314 1 . 1 1 61 61 LEU CA C 61 58.219 58.219 57.508 0.711 18301 315 1 . 1 1 61 61 LEU CB C 61 41.565 41.565 41.305 0.260 18301 316 1 . 1 1 61 61 LEU H H 61 7.220 7.220 7.493 -0.273 18301 317 1 . 1 1 62 62 ARG N N 62 117.758 117.758 119.561 -1.803 18301 318 1 . 1 1 62 62 ARG HA H 62 4.710 4.710 3.871 0.839 18301 319 1 . 1 1 62 62 ARG C C 62 177.676 177.676 177.998 -0.322 18301 320 1 . 1 1 62 62 ARG CA C 62 59.422 59.422 59.595 -0.173 18301 321 1 . 1 1 62 62 ARG CB C 62 28.971 28.971 29.573 -0.602 18301 322 1 . 1 1 62 62 ARG H H 62 8.034 8.034 7.739 0.296 18301 323 1 . 1 1 63 63 ASP N N 63 119.490 119.490 117.825 1.665 18301 324 1 . 1 1 63 63 ASP HA H 63 4.388 4.388 4.410 -0.022 18301 325 1 . 1 1 63 63 ASP C C 63 178.190 178.190 178.251 -0.061 18301 326 1 . 1 1 63 63 ASP CA C 63 57.660 57.660 57.130 0.530 18301 327 1 . 1 1 63 63 ASP CB C 63 39.093 39.093 40.637 -1.545 18301 328 1 . 1 1 63 63 ASP H H 63 8.187 8.187 7.821 0.366 18301 329 1 . 1 1 64 64 HIS N N 64 119.289 119.289 119.326 -0.037 18301 330 1 . 1 1 64 64 HIS HA H 64 4.359 4.359 4.297 0.062 18301 331 1 . 1 1 64 64 HIS C C 64 178.607 178.607 177.567 1.040 18301 332 1 . 1 1 64 64 HIS CA C 64 60.324 60.324 58.941 1.383 18301 333 1 . 1 1 64 64 HIS CB C 64 30.400 30.400 29.818 0.582 18301 334 1 . 1 1 64 64 HIS H H 64 8.250 8.250 7.440 0.810 18301 335 1 . 1 1 65 65 VAL N N 65 119.590 119.590 118.706 0.884 18301 336 1 . 1 1 65 65 VAL HA H 65 3.722 3.722 3.530 0.192 18301 337 1 . 1 1 65 65 VAL CA C 65 66.940 66.940 66.214 0.726 18301 338 1 . 1 1 65 65 VAL CB C 65 31.813 31.813 31.224 0.589 18301 339 1 . 1 1 65 65 VAL H H 65 7.638 7.638 7.750 -0.112 18301 340 1 . 1 1 66 66 ASN N N 66 121.680 121.680 117.621 4.059 18301 341 1 . 1 1 66 66 ASN HA H 66 5.150 5.150 4.552 0.598 18301 342 1 . 1 1 66 66 ASN C C 66 180.454 180.454 177.194 3.260 18301 343 1 . 1 1 66 66 ASN CA C 66 55.683 55.683 55.841 -0.158 18301 344 1 . 1 1 66 66 ASN CB C 66 37.986 37.986 38.275 -0.289 18301 345 1 . 1 1 66 66 ASN H H 66 8.461 8.461 7.821 0.640 18301 346 1 . 1 1 67 67 ASP N N 67 120.750 120.750 120.531 0.219 18301 347 1 . 1 1 67 67 ASP HA H 67 4.440 4.440 4.460 -0.020 18301 348 1 . 1 1 67 67 ASP C C 67 177.537 177.537 177.348 0.189 18301 349 1 . 1 1 67 67 ASP CA C 67 56.628 56.628 56.173 0.455 18301 350 1 . 1 1 67 67 ASP CB C 67 40.483 40.483 40.606 -0.123 18301 351 1 . 1 1 67 67 ASP H H 67 8.385 8.385 7.827 0.558 18301 352 1 . 1 1 68 68 MET N N 68 116.510 116.510 116.122 0.388 18301 353 1 . 1 1 68 68 MET HA H 68 4.287 4.287 4.358 -0.071 18301 354 1 . 1 1 68 68 MET C C 68 176.064 176.064 177.108 -1.044 18301 355 1 . 1 1 68 68 MET CA C 68 56.672 56.672 56.009 0.663 18301 356 1 . 1 1 68 68 MET CB C 68 33.933 33.933 33.105 0.828 18301 357 1 . 1 1 68 68 MET H H 68 7.680 7.680 7.568 0.112 18301 358 1 . 1 1 69 69 GLY N N 69 105.290 105.290 106.574 -1.284 18301 359 1 . 1 1 69 69 GLY C C 69 173.640 173.640 174.159 -0.519 18301 360 1 . 1 1 69 69 GLY CA C 69 44.756 44.756 45.223 -0.467 18301 361 1 . 1 1 69 69 GLY H H 69 8.049 8.049 8.025 0.024 18301 362 1 . 1 1 70 70 PHE N N 70 118.850 118.850 119.365 -0.515 18301 363 1 . 1 1 70 70 PHE HA H 70 4.736 4.736 4.705 0.031 18301 364 1 . 1 1 70 70 PHE C C 70 172.772 172.772 175.159 -2.387 18301 365 1 . 1 1 70 70 PHE CA C 70 56.859 56.859 56.169 0.690 18301 366 1 . 1 1 70 70 PHE CB C 70 40.570 40.570 40.557 0.013 18301 367 1 . 1 1 70 70 PHE H H 70 6.689 6.689 7.639 -0.950 18301 368 1 . 1 1 71 71 GLU N N 71 118.550 118.550 120.049 -1.499 18301 369 1 . 1 1 71 71 GLU HA H 71 4.710 4.710 4.523 0.187 18301 370 1 . 1 1 71 71 GLU C C 71 175.370 175.370 175.479 -0.109 18301 371 1 . 1 1 71 71 GLU CA C 71 55.899 55.899 55.285 0.614 18301 372 1 . 1 1 71 71 GLU CB C 71 30.709 30.709 30.401 0.308 18301 373 1 . 1 1 71 71 GLU H H 71 8.030 8.030 8.840 -0.810 18301 374 1 . 1 1 72 72 ALA N N 72 129.745 129.745 124.970 4.775 18301 375 1 . 1 1 72 72 ALA HA H 72 5.916 5.916 4.889 1.027 18301 376 1 . 1 1 72 72 ALA C C 72 176.245 176.245 176.292 -0.047 18301 377 1 . 1 1 72 72 ALA CA C 72 49.669 49.669 51.581 -1.912 18301 378 1 . 1 1 72 72 ALA CB C 72 22.495 22.495 20.605 1.890 18301 379 1 . 1 1 72 72 ALA H H 72 9.580 9.580 8.230 1.350 18301 380 1 . 1 1 73 73 ALA N N 73 121.581 121.581 125.618 -4.037 18301 381 1 . 1 1 73 73 ALA HA H 73 4.521 4.521 4.774 -0.253 18301 382 1 . 1 1 73 73 ALA C C 73 176.162 176.162 176.047 0.115 18301 383 1 . 1 1 73 73 ALA CA C 73 50.743 50.743 50.309 0.434 18301 384 1 . 1 1 73 73 ALA CB C 73 22.629 22.629 22.107 0.522 18301 385 1 . 1 1 73 73 ALA H H 73 8.633 8.633 8.276 0.357 18301 386 1 . 1 1 74 74 ILE N N 74 123.360 123.360 122.532 0.828 18301 387 1 . 1 1 74 74 ILE HA H 74 3.994 3.994 3.821 0.173 18301 388 1 . 1 1 74 74 ILE C C 74 176.217 176.217 176.969 -0.753 18301 389 1 . 1 1 74 74 ILE CA C 74 63.331 63.331 62.373 0.958 18301 390 1 . 1 1 74 74 ILE CB C 74 38.311 38.311 37.249 1.062 18301 391 1 . 1 1 74 74 ILE H H 74 8.962 8.962 8.616 0.346 18301 392 1 . 1 1 75 75 LYS N N 75 130.310 130.310 128.268 2.042 18301 393 1 . 1 1 75 75 LYS HA H 75 4.553 4.553 4.036 0.517 18301 394 1 . 1 1 75 75 LYS C C 75 175.217 175.217 176.513 -1.296 18301 395 1 . 1 1 75 75 LYS CA C 75 56.457 56.457 58.350 -1.893 18301 396 1 . 1 1 75 75 LYS CB C 75 33.272 33.272 32.831 0.441 18301 397 1 . 1 1 75 75 LYS H H 75 8.842 8.842 8.505 0.338 18301 stop_ save_