data_17894 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17894 _Entry.PDB_ID 2LIJ 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 17894 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ILE N N 2 123.202 123.202 119.384 3.818 17894 2 1 1 . 1 1 2 2 ILE CB C 2 40.032 40.032 37.428 2.604 17894 3 1 1 . 1 1 2 2 ILE H H 2 9.148 9.148 8.305 0.843 17894 4 1 1 . 1 1 3 3 ILE N N 3 108.681 108.681 112.994 -4.313 17894 5 1 1 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.674 0.756 17894 6 1 1 . 1 1 3 3 ILE CA C 3 60.911 60.911 63.758 -2.847 17894 7 1 1 . 1 1 3 3 ILE CB C 3 39.555 39.555 35.776 3.779 17894 8 1 1 . 1 1 3 3 ILE H H 3 9.416 9.416 8.219 1.197 17894 9 1 1 . 1 1 4 4 ASN N N 4 123.966 123.966 116.178 7.788 17894 10 1 1 . 1 1 4 4 ASN H H 4 9.081 9.081 8.913 0.168 17894 11 1 1 . 1 1 5 5 ASN N N 5 120.745 120.745 116.005 4.740 17894 12 1 1 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.504 0.925 17894 13 1 1 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.705 -0.349 17894 14 1 1 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.609 4.104 17894 15 1 1 . 1 1 5 5 ASN H H 5 9.369 9.369 8.567 0.802 17894 16 1 1 . 1 1 6 6 LEU N N 6 120.594 120.594 122.828 -2.234 17894 17 1 1 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.875 -0.109 17894 18 1 1 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.162 2.437 17894 19 1 1 . 1 1 6 6 LEU H H 6 8.538 8.538 7.921 0.617 17894 20 1 1 . 1 1 7 7 LYS N N 7 118.177 118.177 117.797 0.380 17894 21 1 1 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.955 -0.047 17894 22 1 1 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.176 2.130 17894 23 1 1 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.184 2.019 17894 24 1 1 . 1 1 7 7 LYS H H 7 8.940 8.940 7.716 1.224 17894 25 1 1 . 1 1 8 8 LEU N N 8 116.356 116.356 119.778 -3.422 17894 26 1 1 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.075 0.097 17894 27 1 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.475 0.815 17894 28 1 1 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.620 2.308 17894 29 1 1 . 1 1 8 8 LEU H H 8 7.687 7.687 7.527 0.160 17894 30 1 1 . 1 1 9 9 ILE N N 9 119.134 119.134 118.795 0.339 17894 31 1 1 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.661 0.152 17894 32 1 1 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.719 -0.860 17894 33 1 1 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.381 0.449 17894 34 1 1 . 1 1 9 9 ILE H H 9 8.225 8.225 7.562 0.663 17894 35 1 1 . 1 1 10 10 ARG N N 10 120.162 120.162 121.423 -1.261 17894 36 1 1 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.871 0.008 17894 37 1 1 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.559 2.109 17894 38 1 1 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.903 -0.504 17894 39 1 1 . 1 1 10 10 ARG H H 10 9.259 9.259 8.518 0.740 17894 40 1 1 . 1 1 11 11 GLU N N 11 115.878 115.878 118.019 -2.141 17894 41 1 1 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.172 0.000 17894 42 1 1 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.708 1.578 17894 43 1 1 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.790 1.024 17894 44 1 1 . 1 1 11 11 GLU H H 11 8.703 8.703 8.916 -0.213 17894 45 1 1 . 1 1 12 12 LYS N N 12 122.935 122.935 122.131 0.804 17894 46 1 1 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.043 0.163 17894 47 1 1 . 1 1 12 12 LYS CA C 12 60.275 60.275 58.984 1.291 17894 48 1 1 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.422 0.476 17894 49 1 1 . 1 1 12 12 LYS H H 12 8.256 8.256 7.962 0.294 17894 50 1 1 . 1 1 13 13 LYS N N 13 116.350 116.350 115.860 0.490 17894 51 1 1 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.393 -0.097 17894 52 1 1 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.748 0.183 17894 53 1 1 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.611 -0.162 17894 54 1 1 . 1 1 13 13 LYS H H 13 7.813 7.813 7.748 0.065 17894 55 1 1 . 1 1 14 14 LYS N N 14 115.317 115.317 115.056 0.261 17894 56 1 1 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.967 -0.004 17894 57 1 1 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.771 1.017 17894 58 1 1 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.468 -0.420 17894 59 1 1 . 1 1 14 14 LYS H H 14 8.068 8.068 7.911 0.157 17894 60 1 1 . 1 1 15 15 ILE N N 15 118.373 118.373 119.243 -0.870 17894 61 1 1 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.068 0.544 17894 62 1 1 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.411 0.647 17894 63 1 1 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.900 3.896 17894 64 1 1 . 1 1 15 15 ILE H H 15 7.573 7.573 8.473 -0.900 17894 65 1 1 . 1 1 16 16 SER N N 16 125.057 125.057 121.656 3.401 17894 66 1 1 . 1 1 16 16 SER HA H 16 4.566 4.566 4.685 -0.119 17894 67 1 1 . 1 1 16 16 SER CA C 16 57.781 57.781 57.365 0.416 17894 68 1 1 . 1 1 16 16 SER H H 16 9.457 9.457 9.562 -0.105 17894 69 1 1 . 1 1 17 17 GLN N N 17 120.197 120.197 122.247 -2.050 17894 70 1 1 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.997 -0.219 17894 71 1 1 . 1 1 17 17 GLN CA C 17 62.662 62.662 58.981 3.681 17894 72 1 1 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.155 1.506 17894 73 1 1 . 1 1 17 17 GLN H H 17 9.544 9.544 8.959 0.585 17894 74 1 1 . 1 1 18 18 SER N N 18 112.998 112.998 114.843 -1.845 17894 75 1 1 . 1 1 18 18 SER H H 18 8.985 8.985 8.600 0.385 17894 76 1 1 . 1 1 19 19 GLU N N 19 124.112 124.112 122.150 1.962 17894 77 1 1 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.092 0.014 17894 78 1 1 . 1 1 19 19 GLU CA C 19 59.513 59.513 59.120 0.394 17894 79 1 1 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.961 1.478 17894 80 1 1 . 1 1 19 19 GLU H H 19 8.349 8.349 8.367 -0.018 17894 81 1 1 . 1 1 20 20 LEU N N 20 119.955 119.955 118.091 1.864 17894 82 1 1 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.152 -0.026 17894 83 1 1 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.465 0.927 17894 84 1 1 . 1 1 20 20 LEU H H 20 8.321 8.321 7.527 0.794 17894 85 1 1 . 1 1 21 21 ALA N N 21 119.830 119.830 122.869 -3.039 17894 86 1 1 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.873 -0.164 17894 87 1 1 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.077 1.195 17894 88 1 1 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.922 -0.187 17894 89 1 1 . 1 1 21 21 ALA H H 21 8.595 8.595 7.782 0.813 17894 90 1 1 . 1 1 22 22 ALA N N 22 117.258 117.258 121.429 -4.171 17894 91 1 1 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.009 0.254 17894 92 1 1 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.666 0.842 17894 93 1 1 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.538 -0.008 17894 94 1 1 . 1 1 22 22 ALA H H 22 7.818 7.818 7.804 0.014 17894 95 1 1 . 1 1 23 23 LEU N N 23 118.586 118.586 118.194 0.392 17894 96 1 1 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.889 0.071 17894 97 1 1 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.867 1.133 17894 98 1 1 . 1 1 23 23 LEU H H 23 7.537 7.537 7.931 -0.394 17894 99 1 1 . 1 1 24 24 LEU N N 24 114.488 114.488 114.603 -0.115 17894 100 1 1 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.054 0.209 17894 101 1 1 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.970 -0.276 17894 102 1 1 . 1 1 24 24 LEU H H 24 7.448 7.448 8.051 -0.603 17894 103 1 1 . 1 1 25 25 GLU N N 25 114.895 114.895 114.068 0.827 17894 104 1 1 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.009 -0.044 17894 105 1 1 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.072 0.976 17894 106 1 1 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.510 0.383 17894 107 1 1 . 1 1 25 25 GLU H H 25 8.028 8.028 7.817 0.211 17894 108 1 1 . 1 1 26 26 VAL N N 26 109.697 109.697 113.231 -3.534 17894 109 1 1 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.549 0.324 17894 110 1 1 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.759 -0.578 17894 111 1 1 . 1 1 26 26 VAL H H 26 7.990 7.990 7.831 0.159 17894 112 1 1 . 1 1 27 27 SER N N 27 114.369 114.369 116.530 -2.161 17894 113 1 1 . 1 1 27 27 SER HA H 27 4.643 4.643 4.480 0.163 17894 114 1 1 . 1 1 27 27 SER CA C 27 57.345 57.345 58.450 -1.105 17894 115 1 1 . 1 1 27 27 SER CB C 27 63.110 63.110 63.995 -0.885 17894 116 1 1 . 1 1 27 27 SER H H 27 8.633 8.633 8.332 0.301 17894 117 1 1 . 1 1 28 28 ARG N N 28 115.276 115.276 125.599 -10.323 17894 118 1 1 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.922 -0.194 17894 119 1 1 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.113 0.645 17894 120 1 1 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.020 -0.070 17894 121 1 1 . 1 1 28 28 ARG H H 28 8.236 8.236 8.954 -0.718 17894 122 1 1 . 1 1 29 29 GLN N N 29 117.309 117.309 118.405 -1.096 17894 123 1 1 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.281 -0.128 17894 124 1 1 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.952 1.061 17894 125 1 1 . 1 1 29 29 GLN CB C 29 28.468 28.468 26.962 1.506 17894 126 1 1 . 1 1 29 29 GLN H H 29 8.835 8.835 8.790 0.045 17894 127 1 1 . 1 1 30 30 THR N N 30 119.984 119.984 112.729 7.255 17894 128 1 1 . 1 1 30 30 THR HA H 30 4.418 4.418 4.026 0.392 17894 129 1 1 . 1 1 30 30 THR CA C 30 68.600 68.600 65.600 3.000 17894 130 1 1 . 1 1 30 30 THR CB C 30 67.556 67.556 68.560 -1.004 17894 131 1 1 . 1 1 30 30 THR H H 30 8.136 8.136 7.720 0.416 17894 132 1 1 . 1 1 31 31 ILE N N 31 118.828 118.828 122.388 -3.560 17894 133 1 1 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.787 -0.002 17894 134 1 1 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.804 -1.875 17894 135 1 1 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.934 -0.957 17894 136 1 1 . 1 1 31 31 ILE H H 31 7.162 7.162 8.004 -0.842 17894 137 1 1 . 1 1 32 32 ASN N N 32 118.028 118.028 116.918 1.110 17894 138 1 1 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.890 -0.560 17894 139 1 1 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.267 3.929 17894 140 1 1 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.657 2.488 17894 141 1 1 . 1 1 32 32 ASN H H 32 8.668 8.668 8.830 -0.162 17894 142 1 1 . 1 1 33 33 GLY N N 33 124.941 124.941 109.351 15.590 17894 143 1 1 . 1 1 33 33 GLY H H 33 8.656 8.656 7.437 1.219 17894 144 1 1 . 1 1 34 34 ILE N N 34 122.198 122.198 122.938 -0.740 17894 145 1 1 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.969 0.315 17894 146 1 1 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.393 1.147 17894 147 1 1 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.061 1.125 17894 148 1 1 . 1 1 34 34 ILE H H 34 8.205 8.205 8.082 0.123 17894 149 1 1 . 1 1 35 35 GLU N N 35 120.651 120.651 116.795 3.856 17894 150 1 1 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.235 -0.022 17894 151 1 1 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.439 2.153 17894 152 1 1 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.451 0.301 17894 153 1 1 . 1 1 35 35 GLU H H 35 8.592 8.592 7.681 0.911 17894 154 1 1 . 1 1 36 36 LYS N N 36 115.995 115.995 117.861 -1.866 17894 155 1 1 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.157 0.345 17894 156 1 1 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.582 -2.298 17894 157 1 1 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.372 -0.533 17894 158 1 1 . 1 1 36 36 LYS H H 36 8.111 8.111 7.354 0.757 17894 159 1 1 . 1 1 37 37 ASN N N 37 114.563 114.563 111.486 3.077 17894 160 1 1 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.700 0.048 17894 161 1 1 . 1 1 37 37 ASN CA C 37 55.688 55.688 52.944 2.744 17894 162 1 1 . 1 1 37 37 ASN CB C 37 37.804 37.804 40.242 -2.438 17894 163 1 1 . 1 1 37 37 ASN H H 37 8.223 8.223 8.386 -0.163 17894 164 1 1 . 1 1 38 38 LYS N N 38 115.051 115.051 122.426 -7.375 17894 165 1 1 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.883 0.538 17894 166 1 1 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.119 0.877 17894 167 1 1 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.723 1.413 17894 168 1 1 . 1 1 38 38 LYS H H 38 8.734 8.734 8.004 0.730 17894 169 1 1 . 1 1 39 39 TYR N N 39 116.976 116.976 122.016 -5.040 17894 170 1 1 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.264 0.345 17894 171 1 1 . 1 1 39 39 TYR CA C 39 56.377 56.377 58.189 -1.812 17894 172 1 1 . 1 1 39 39 TYR H H 39 7.089 7.089 7.880 -0.791 17894 173 1 1 . 1 1 40 40 ASN N N 40 123.607 123.607 121.633 1.974 17894 174 1 1 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.824 0.552 17894 175 1 1 . 1 1 40 40 ASN H H 40 8.862 8.862 8.465 0.397 17894 176 1 1 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.544 -0.755 17894 177 1 1 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.846 0.624 17894 178 1 1 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.448 0.013 17894 179 1 1 . 1 1 42 42 SER N N 42 125.650 125.650 116.645 9.005 17894 180 1 1 . 1 1 42 42 SER HA H 42 4.556 4.556 4.276 0.280 17894 181 1 1 . 1 1 42 42 SER CA C 42 58.198 58.198 58.775 -0.577 17894 182 1 1 . 1 1 42 42 SER H H 42 8.056 8.056 8.301 -0.245 17894 183 1 1 . 1 1 43 43 LEU N N 43 120.689 120.689 125.238 -4.549 17894 184 1 1 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.021 -0.108 17894 185 1 1 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.789 0.456 17894 186 1 1 . 1 1 43 43 LEU H H 43 9.296 9.296 8.804 0.492 17894 187 1 1 . 1 1 44 44 GLN N N 44 115.960 115.960 119.305 -3.345 17894 188 1 1 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.163 -0.466 17894 189 1 1 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.723 2.149 17894 190 1 1 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.637 0.513 17894 191 1 1 . 1 1 44 44 GLN H H 44 8.915 8.915 8.495 0.420 17894 192 1 1 . 1 1 45 45 LEU N N 45 119.431 119.431 120.536 -1.105 17894 193 1 1 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.061 -0.169 17894 194 1 1 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.826 -2.302 17894 195 1 1 . 1 1 45 45 LEU H H 45 8.093 8.093 8.085 0.008 17894 196 1 1 . 1 1 46 46 ALA N N 46 120.497 120.497 122.510 -2.013 17894 197 1 1 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.106 -0.072 17894 198 1 1 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.488 1.013 17894 199 1 1 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.180 2.473 17894 200 1 1 . 1 1 46 46 ALA H H 46 8.512 8.512 8.864 -0.352 17894 201 1 1 . 1 1 47 47 LEU N N 47 116.461 116.461 119.012 -2.551 17894 202 1 1 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.891 0.323 17894 203 1 1 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.201 0.200 17894 204 1 1 . 1 1 47 47 LEU H H 47 8.675 8.675 8.484 0.191 17894 205 1 1 . 1 1 48 48 LYS N N 48 120.970 120.970 120.418 0.552 17894 206 1 1 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.258 -0.678 17894 207 1 1 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.112 0.615 17894 208 1 1 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.419 0.749 17894 209 1 1 . 1 1 48 48 LYS H H 48 8.053 8.053 8.513 -0.460 17894 210 1 1 . 1 1 49 49 ILE N N 49 120.407 120.407 120.628 -0.221 17894 211 1 1 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.723 -0.125 17894 212 1 1 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.211 2.891 17894 213 1 1 . 1 1 49 49 ILE H H 49 8.783 8.783 8.688 0.095 17894 214 1 1 . 1 1 50 50 ALA N N 50 120.445 120.445 123.389 -2.944 17894 215 1 1 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.239 -0.169 17894 216 1 1 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.133 1.267 17894 217 1 1 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.499 0.406 17894 218 1 1 . 1 1 50 50 ALA H H 50 8.182 8.182 8.626 -0.444 17894 219 1 1 . 1 1 51 51 TYR N N 51 117.070 117.070 120.359 -3.289 17894 220 1 1 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.104 0.249 17894 221 1 1 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.899 0.454 17894 222 1 1 . 1 1 51 51 TYR H H 51 8.170 8.170 8.880 -0.710 17894 223 1 1 . 1 1 52 52 TYR N N 52 118.548 118.548 116.674 1.874 17894 224 1 1 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.056 0.248 17894 225 1 1 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.585 2.223 17894 226 1 1 . 1 1 52 52 TYR H H 52 9.079 9.079 8.597 0.482 17894 227 1 1 . 1 1 53 53 LEU N N 53 115.427 115.427 118.278 -2.851 17894 228 1 1 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.129 0.407 17894 229 1 1 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.061 -1.017 17894 230 1 1 . 1 1 53 53 LEU H H 53 8.417 8.417 8.586 -0.169 17894 231 1 1 . 1 1 54 54 ASN N N 54 122.105 122.105 114.899 7.206 17894 232 1 1 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.362 0.087 17894 233 1 1 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.857 0.834 17894 234 1 1 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.918 1.713 17894 235 1 1 . 1 1 54 54 ASN H H 54 8.090 8.090 8.174 -0.084 17894 236 1 1 . 1 1 55 55 THR N N 55 114.929 114.929 113.657 1.272 17894 237 1 1 . 1 1 55 55 THR HA H 55 4.933 4.933 4.697 0.236 17894 238 1 1 . 1 1 55 55 THR CA C 55 60.962 60.962 60.766 0.196 17894 239 1 1 . 1 1 55 55 THR CB C 55 75.743 75.743 71.710 4.032 17894 240 1 1 . 1 1 55 55 THR H H 55 8.255 8.255 8.082 0.173 17894 241 1 1 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.674 -0.078 17894 242 1 1 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.955 0.649 17894 243 1 1 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.677 0.242 17894 244 1 1 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.200 -0.130 17894 245 1 1 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.501 2.121 17894 246 1 1 . 1 1 58 58 GLU N N 58 123.143 123.143 118.060 5.083 17894 247 1 1 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.550 0.324 17894 248 1 1 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.719 -0.220 17894 249 1 1 . 1 1 58 58 GLU H H 58 9.365 9.365 8.967 0.398 17894 250 1 1 . 1 1 59 59 ASP N N 59 117.681 117.681 118.724 -1.043 17894 251 1 1 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.518 0.105 17894 252 1 1 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.805 -0.343 17894 253 1 1 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.114 -0.223 17894 254 1 1 . 1 1 59 59 ASP H H 59 8.014 8.014 7.697 0.317 17894 255 1 1 . 1 1 60 60 ILE N N 60 119.519 119.519 113.689 5.830 17894 256 1 1 . 1 1 60 60 ILE H H 60 8.209 8.209 7.477 0.732 17894 257 1 1 . 1 1 61 61 PHE N N 61 115.960 115.960 120.592 -4.632 17894 258 1 1 . 1 1 61 61 PHE H H 61 8.532 8.532 8.538 -0.006 17894 259 1 1 . 1 1 62 62 GLN N N 62 116.724 116.724 123.779 -7.055 17894 260 1 1 . 1 1 62 62 GLN H H 62 8.752 8.752 8.850 -0.098 17894 261 1 1 . 1 1 63 63 TRP N N 63 125.611 125.611 125.498 0.113 17894 262 1 1 . 1 1 63 63 TRP H H 63 9.476 9.476 8.820 0.656 17894 263 1 1 . 1 1 64 64 GLN N N 64 127.087 127.087 125.933 1.154 17894 264 1 1 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.782 -0.603 17894 265 1 1 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.418 -1.016 17894 266 1 1 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.689 2.884 17894 267 1 1 . 1 1 64 64 GLN H H 64 7.989 7.989 8.097 -0.108 17894 268 1 1 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.373 0.309 17894 269 1 1 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.699 -2.185 17894 270 1 2 . 1 1 2 2 ILE N N 2 123.202 123.202 121.855 1.347 17894 271 1 2 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.404 1.628 17894 272 1 2 . 1 1 2 2 ILE H H 2 9.148 9.148 7.780 1.368 17894 273 1 2 . 1 1 3 3 ILE N N 3 108.681 108.681 127.734 -19.053 17894 274 1 2 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.292 0.138 17894 275 1 2 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.194 1.717 17894 276 1 2 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.819 1.736 17894 277 1 2 . 1 1 3 3 ILE H H 3 9.416 9.416 8.137 1.279 17894 278 1 2 . 1 1 4 4 ASN N N 4 123.966 123.966 127.564 -3.598 17894 279 1 2 . 1 1 4 4 ASN H H 4 9.081 9.081 9.014 0.067 17894 280 1 2 . 1 1 5 5 ASN N N 5 120.745 120.745 123.689 -2.944 17894 281 1 2 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.920 0.509 17894 282 1 2 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.667 -0.311 17894 283 1 2 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.984 1.729 17894 284 1 2 . 1 1 5 5 ASN H H 5 9.369 9.369 9.430 -0.061 17894 285 1 2 . 1 1 6 6 LEU N N 6 120.594 120.594 123.524 -2.930 17894 286 1 2 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.822 -0.056 17894 287 1 2 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.771 1.828 17894 288 1 2 . 1 1 6 6 LEU H H 6 8.538 8.538 8.187 0.351 17894 289 1 2 . 1 1 7 7 LYS N N 7 118.177 118.177 117.987 0.190 17894 290 1 2 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.004 -0.096 17894 291 1 2 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.160 2.146 17894 292 1 2 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.058 2.145 17894 293 1 2 . 1 1 7 7 LYS H H 7 8.940 8.940 8.377 0.563 17894 294 1 2 . 1 1 8 8 LEU N N 8 116.356 116.356 120.561 -4.205 17894 295 1 2 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.086 0.086 17894 296 1 2 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.081 1.209 17894 297 1 2 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.634 2.294 17894 298 1 2 . 1 1 8 8 LEU H H 8 7.687 7.687 7.343 0.344 17894 299 1 2 . 1 1 9 9 ILE N N 9 119.134 119.134 118.655 0.479 17894 300 1 2 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.656 0.157 17894 301 1 2 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.023 0.835 17894 302 1 2 . 1 1 9 9 ILE CB C 9 37.830 37.830 36.197 1.633 17894 303 1 2 . 1 1 9 9 ILE H H 9 8.225 8.225 7.973 0.252 17894 304 1 2 . 1 1 10 10 ARG N N 10 120.162 120.162 121.294 -1.132 17894 305 1 2 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.865 0.014 17894 306 1 2 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.648 2.020 17894 307 1 2 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.313 -0.914 17894 308 1 2 . 1 1 10 10 ARG H H 10 9.259 9.259 8.906 0.353 17894 309 1 2 . 1 1 11 11 GLU N N 11 115.878 115.878 117.957 -2.079 17894 310 1 2 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.088 0.084 17894 311 1 2 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.014 1.272 17894 312 1 2 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.747 1.067 17894 313 1 2 . 1 1 11 11 GLU H H 11 8.703 8.703 8.633 0.070 17894 314 1 2 . 1 1 12 12 LYS N N 12 122.935 122.935 121.675 1.260 17894 315 1 2 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.002 0.204 17894 316 1 2 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.419 0.856 17894 317 1 2 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.450 0.448 17894 318 1 2 . 1 1 12 12 LYS H H 12 8.256 8.256 8.064 0.192 17894 319 1 2 . 1 1 13 13 LYS N N 13 116.350 116.350 115.961 0.389 17894 320 1 2 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.262 0.034 17894 321 1 2 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.240 -0.309 17894 322 1 2 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.975 -0.526 17894 323 1 2 . 1 1 13 13 LYS H H 13 7.813 7.813 7.653 0.160 17894 324 1 2 . 1 1 14 14 LYS N N 14 115.317 115.317 115.422 -0.105 17894 325 1 2 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.958 0.005 17894 326 1 2 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.731 1.057 17894 327 1 2 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.992 -0.944 17894 328 1 2 . 1 1 14 14 LYS H H 14 8.068 8.068 7.767 0.301 17894 329 1 2 . 1 1 15 15 ILE N N 15 118.373 118.373 120.803 -2.430 17894 330 1 2 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.088 0.524 17894 331 1 2 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.222 0.836 17894 332 1 2 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.900 3.896 17894 333 1 2 . 1 1 15 15 ILE H H 15 7.573 7.573 8.455 -0.882 17894 334 1 2 . 1 1 16 16 SER N N 16 125.057 125.057 123.557 1.500 17894 335 1 2 . 1 1 16 16 SER HA H 16 4.566 4.566 4.564 0.002 17894 336 1 2 . 1 1 16 16 SER CA C 16 57.781 57.781 58.416 -0.635 17894 337 1 2 . 1 1 16 16 SER H H 16 9.457 9.457 8.568 0.889 17894 338 1 2 . 1 1 17 17 GLN N N 17 120.197 120.197 124.944 -4.747 17894 339 1 2 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.124 -0.346 17894 340 1 2 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.410 3.252 17894 341 1 2 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.305 1.356 17894 342 1 2 . 1 1 17 17 GLN H H 17 9.544 9.544 9.070 0.474 17894 343 1 2 . 1 1 18 18 SER N N 18 112.998 112.998 115.705 -2.707 17894 344 1 2 . 1 1 18 18 SER H H 18 8.985 8.985 8.712 0.273 17894 345 1 2 . 1 1 19 19 GLU N N 19 124.112 124.112 122.071 2.041 17894 346 1 2 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.085 0.021 17894 347 1 2 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.888 0.625 17894 348 1 2 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.565 1.874 17894 349 1 2 . 1 1 19 19 GLU H H 19 8.349 8.349 8.572 -0.223 17894 350 1 2 . 1 1 20 20 LEU N N 20 119.955 119.955 121.714 -1.759 17894 351 1 2 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.980 0.146 17894 352 1 2 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.924 0.468 17894 353 1 2 . 1 1 20 20 LEU H H 20 8.321 8.321 7.547 0.774 17894 354 1 2 . 1 1 21 21 ALA N N 21 119.830 119.830 121.029 -1.199 17894 355 1 2 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.883 -0.174 17894 356 1 2 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.013 1.259 17894 357 1 2 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.118 -0.383 17894 358 1 2 . 1 1 21 21 ALA H H 21 8.595 8.595 8.627 -0.032 17894 359 1 2 . 1 1 22 22 ALA N N 22 117.258 117.258 121.285 -4.027 17894 360 1 2 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.948 0.315 17894 361 1 2 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.692 0.817 17894 362 1 2 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.507 0.023 17894 363 1 2 . 1 1 22 22 ALA H H 22 7.818 7.818 7.951 -0.133 17894 364 1 2 . 1 1 23 23 LEU N N 23 118.586 118.586 118.479 0.107 17894 365 1 2 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.576 0.384 17894 366 1 2 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.123 0.877 17894 367 1 2 . 1 1 23 23 LEU H H 23 7.537 7.537 8.200 -0.663 17894 368 1 2 . 1 1 24 24 LEU N N 24 114.488 114.488 113.860 0.628 17894 369 1 2 . 1 1 24 24 LEU HA H 24 4.263 4.263 3.905 0.358 17894 370 1 2 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.084 -0.390 17894 371 1 2 . 1 1 24 24 LEU H H 24 7.448 7.448 7.914 -0.466 17894 372 1 2 . 1 1 25 25 GLU N N 25 114.895 114.895 112.990 1.905 17894 373 1 2 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.031 -0.066 17894 374 1 2 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.201 0.847 17894 375 1 2 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.829 0.064 17894 376 1 2 . 1 1 25 25 GLU H H 25 8.028 8.028 7.842 0.186 17894 377 1 2 . 1 1 26 26 VAL N N 26 109.697 109.697 112.708 -3.011 17894 378 1 2 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.467 0.406 17894 379 1 2 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.714 -0.533 17894 380 1 2 . 1 1 26 26 VAL H H 26 7.990 7.990 7.576 0.414 17894 381 1 2 . 1 1 27 27 SER N N 27 114.369 114.369 116.288 -1.919 17894 382 1 2 . 1 1 27 27 SER HA H 27 4.643 4.643 4.360 0.283 17894 383 1 2 . 1 1 27 27 SER CA C 27 57.345 57.345 58.599 -1.254 17894 384 1 2 . 1 1 27 27 SER CB C 27 63.110 63.110 64.016 -0.906 17894 385 1 2 . 1 1 27 27 SER H H 27 8.633 8.633 8.468 0.165 17894 386 1 2 . 1 1 28 28 ARG N N 28 115.276 115.276 126.855 -11.579 17894 387 1 2 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.934 -0.206 17894 388 1 2 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.288 0.470 17894 389 1 2 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.980 -0.030 17894 390 1 2 . 1 1 28 28 ARG H H 28 8.236 8.236 8.991 -0.754 17894 391 1 2 . 1 1 29 29 GLN N N 29 117.309 117.309 117.710 -0.401 17894 392 1 2 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.114 0.039 17894 393 1 2 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.029 0.984 17894 394 1 2 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.660 0.808 17894 395 1 2 . 1 1 29 29 GLN H H 29 8.835 8.835 8.834 0.001 17894 396 1 2 . 1 1 30 30 THR N N 30 119.984 119.984 116.851 3.133 17894 397 1 2 . 1 1 30 30 THR HA H 30 4.418 4.418 4.022 0.396 17894 398 1 2 . 1 1 30 30 THR CA C 30 68.600 68.600 65.734 2.866 17894 399 1 2 . 1 1 30 30 THR CB C 30 67.556 67.556 68.648 -1.092 17894 400 1 2 . 1 1 30 30 THR H H 30 8.136 8.136 7.749 0.387 17894 401 1 2 . 1 1 31 31 ILE N N 31 118.828 118.828 121.768 -2.940 17894 402 1 2 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.761 0.024 17894 403 1 2 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.889 -1.960 17894 404 1 2 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.008 -1.031 17894 405 1 2 . 1 1 31 31 ILE H H 31 7.162 7.162 8.434 -1.272 17894 406 1 2 . 1 1 32 32 ASN N N 32 118.028 118.028 117.354 0.674 17894 407 1 2 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.499 -0.169 17894 408 1 2 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.628 2.567 17894 409 1 2 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.940 2.205 17894 410 1 2 . 1 1 32 32 ASN H H 32 8.668 8.668 8.748 -0.080 17894 411 1 2 . 1 1 33 33 GLY N N 33 124.941 124.941 109.297 15.644 17894 412 1 2 . 1 1 33 33 GLY H H 33 8.656 8.656 8.072 0.584 17894 413 1 2 . 1 1 34 34 ILE N N 34 122.198 122.198 122.317 -0.119 17894 414 1 2 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.707 0.577 17894 415 1 2 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.615 0.925 17894 416 1 2 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.108 1.078 17894 417 1 2 . 1 1 34 34 ILE H H 34 8.205 8.205 8.283 -0.078 17894 418 1 2 . 1 1 35 35 GLU N N 35 120.651 120.651 117.037 3.614 17894 419 1 2 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.223 -0.010 17894 420 1 2 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.751 1.841 17894 421 1 2 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.536 0.216 17894 422 1 2 . 1 1 35 35 GLU H H 35 8.592 8.592 7.616 0.976 17894 423 1 2 . 1 1 36 36 LYS N N 36 115.995 115.995 119.876 -3.881 17894 424 1 2 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.063 0.439 17894 425 1 2 . 1 1 36 36 LYS CA C 36 56.284 56.284 59.051 -2.767 17894 426 1 2 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.919 -0.080 17894 427 1 2 . 1 1 36 36 LYS H H 36 8.111 8.111 7.772 0.339 17894 428 1 2 . 1 1 37 37 ASN N N 37 114.563 114.563 110.289 4.274 17894 429 1 2 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.658 0.090 17894 430 1 2 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.530 2.158 17894 431 1 2 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.499 -1.695 17894 432 1 2 . 1 1 37 37 ASN H H 37 8.223 8.223 8.382 -0.159 17894 433 1 2 . 1 1 38 38 LYS N N 38 115.051 115.051 122.010 -6.959 17894 434 1 2 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.905 0.516 17894 435 1 2 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.928 1.068 17894 436 1 2 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.969 1.167 17894 437 1 2 . 1 1 38 38 LYS H H 38 8.734 8.734 8.121 0.613 17894 438 1 2 . 1 1 39 39 TYR N N 39 116.976 116.976 118.713 -1.737 17894 439 1 2 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.230 0.379 17894 440 1 2 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.031 -0.654 17894 441 1 2 . 1 1 39 39 TYR H H 39 7.089 7.089 7.287 -0.198 17894 442 1 2 . 1 1 40 40 ASN N N 40 123.607 123.607 118.369 5.238 17894 443 1 2 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.669 0.707 17894 444 1 2 . 1 1 40 40 ASN H H 40 8.862 8.862 8.429 0.433 17894 445 1 2 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.611 -0.822 17894 446 1 2 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.509 0.961 17894 447 1 2 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.574 -0.113 17894 448 1 2 . 1 1 42 42 SER N N 42 125.650 125.650 115.036 10.614 17894 449 1 2 . 1 1 42 42 SER HA H 42 4.556 4.556 4.195 0.361 17894 450 1 2 . 1 1 42 42 SER CA C 42 58.198 58.198 58.237 -0.039 17894 451 1 2 . 1 1 42 42 SER H H 42 8.056 8.056 8.194 -0.138 17894 452 1 2 . 1 1 43 43 LEU N N 43 120.689 120.689 124.594 -3.905 17894 453 1 2 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.983 -0.070 17894 454 1 2 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.493 0.752 17894 455 1 2 . 1 1 43 43 LEU H H 43 9.296 9.296 8.759 0.537 17894 456 1 2 . 1 1 44 44 GLN N N 44 115.960 115.960 118.834 -2.874 17894 457 1 2 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.167 -0.470 17894 458 1 2 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.681 2.191 17894 459 1 2 . 1 1 44 44 GLN CB C 44 29.150 29.150 27.376 1.774 17894 460 1 2 . 1 1 44 44 GLN H H 44 8.915 8.915 8.630 0.285 17894 461 1 2 . 1 1 45 45 LEU N N 45 119.431 119.431 121.661 -2.230 17894 462 1 2 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.110 -0.218 17894 463 1 2 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.627 -2.103 17894 464 1 2 . 1 1 45 45 LEU H H 45 8.093 8.093 8.035 0.058 17894 465 1 2 . 1 1 46 46 ALA N N 46 120.497 120.497 122.483 -1.986 17894 466 1 2 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.169 -0.135 17894 467 1 2 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.567 0.934 17894 468 1 2 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.227 2.426 17894 469 1 2 . 1 1 46 46 ALA H H 46 8.512 8.512 8.806 -0.294 17894 470 1 2 . 1 1 47 47 LEU N N 47 116.461 116.461 118.562 -2.101 17894 471 1 2 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.734 0.480 17894 472 1 2 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.877 0.524 17894 473 1 2 . 1 1 47 47 LEU H H 47 8.675 8.675 7.927 0.748 17894 474 1 2 . 1 1 48 48 LYS N N 48 120.970 120.970 120.355 0.615 17894 475 1 2 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.173 -0.593 17894 476 1 2 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.105 0.622 17894 477 1 2 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.515 0.653 17894 478 1 2 . 1 1 48 48 LYS H H 48 8.053 8.053 8.301 -0.248 17894 479 1 2 . 1 1 49 49 ILE N N 49 120.407 120.407 120.842 -0.435 17894 480 1 2 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.762 -0.164 17894 481 1 2 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.765 2.337 17894 482 1 2 . 1 1 49 49 ILE H H 49 8.783 8.783 8.726 0.057 17894 483 1 2 . 1 1 50 50 ALA N N 50 120.445 120.445 123.384 -2.939 17894 484 1 2 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.182 -0.112 17894 485 1 2 . 1 1 50 50 ALA CA C 50 56.400 56.400 54.997 1.403 17894 486 1 2 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.361 0.544 17894 487 1 2 . 1 1 50 50 ALA H H 50 8.182 8.182 8.627 -0.445 17894 488 1 2 . 1 1 51 51 TYR N N 51 117.070 117.070 119.212 -2.142 17894 489 1 2 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.156 0.197 17894 490 1 2 . 1 1 51 51 TYR CA C 51 62.353 62.353 59.935 2.418 17894 491 1 2 . 1 1 51 51 TYR H H 51 8.170 8.170 8.372 -0.202 17894 492 1 2 . 1 1 52 52 TYR N N 52 118.548 118.548 116.494 2.054 17894 493 1 2 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.329 -0.025 17894 494 1 2 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.401 2.407 17894 495 1 2 . 1 1 52 52 TYR H H 52 9.079 9.079 8.593 0.486 17894 496 1 2 . 1 1 53 53 LEU N N 53 115.427 115.427 117.564 -2.137 17894 497 1 2 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.207 0.329 17894 498 1 2 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.182 -1.138 17894 499 1 2 . 1 1 53 53 LEU H H 53 8.417 8.417 8.736 -0.319 17894 500 1 2 . 1 1 54 54 ASN N N 54 122.105 122.105 115.875 6.230 17894 501 1 2 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.556 -0.107 17894 502 1 2 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.607 0.084 17894 503 1 2 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.698 1.933 17894 504 1 2 . 1 1 54 54 ASN H H 54 8.090 8.090 8.123 -0.033 17894 505 1 2 . 1 1 55 55 THR N N 55 114.929 114.929 114.127 0.802 17894 506 1 2 . 1 1 55 55 THR HA H 55 4.933 4.933 4.835 0.098 17894 507 1 2 . 1 1 55 55 THR CA C 55 60.962 60.962 60.142 0.820 17894 508 1 2 . 1 1 55 55 THR CB C 55 75.743 75.743 71.695 4.048 17894 509 1 2 . 1 1 55 55 THR H H 55 8.255 8.255 7.990 0.265 17894 510 1 2 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.561 0.035 17894 511 1 2 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.781 0.823 17894 512 1 2 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.565 0.354 17894 513 1 2 . 1 1 57 57 LEU HA H 57 4.070 4.070 3.944 0.126 17894 514 1 2 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.224 2.398 17894 515 1 2 . 1 1 58 58 GLU N N 58 123.143 123.143 118.708 4.435 17894 516 1 2 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.068 0.806 17894 517 1 2 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.368 0.131 17894 518 1 2 . 1 1 58 58 GLU H H 58 9.365 9.365 8.676 0.689 17894 519 1 2 . 1 1 59 59 ASP N N 59 117.681 117.681 118.847 -1.166 17894 520 1 2 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.390 0.233 17894 521 1 2 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.628 -0.166 17894 522 1 2 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.632 0.259 17894 523 1 2 . 1 1 59 59 ASP H H 59 8.014 8.014 7.628 0.386 17894 524 1 2 . 1 1 60 60 ILE N N 60 119.519 119.519 112.666 6.853 17894 525 1 2 . 1 1 60 60 ILE H H 60 8.209 8.209 7.118 1.091 17894 526 1 2 . 1 1 61 61 PHE N N 61 115.960 115.960 119.084 -3.124 17894 527 1 2 . 1 1 61 61 PHE H H 61 8.532 8.532 8.348 0.184 17894 528 1 2 . 1 1 62 62 GLN N N 62 116.724 116.724 122.565 -5.841 17894 529 1 2 . 1 1 62 62 GLN H H 62 8.752 8.752 8.718 0.034 17894 530 1 2 . 1 1 63 63 TRP N N 63 125.611 125.611 123.784 1.827 17894 531 1 2 . 1 1 63 63 TRP H H 63 9.476 9.476 8.513 0.963 17894 532 1 2 . 1 1 64 64 GLN N N 64 127.087 127.087 124.773 2.314 17894 533 1 2 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.814 -0.635 17894 534 1 2 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.689 -1.287 17894 535 1 2 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.610 2.963 17894 536 1 2 . 1 1 64 64 GLN H H 64 7.989 7.989 8.441 -0.452 17894 537 1 2 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.315 0.367 17894 538 1 2 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.745 -2.231 17894 539 1 3 . 1 1 2 2 ILE N N 2 123.202 123.202 120.181 3.021 17894 540 1 3 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.928 0.104 17894 541 1 3 . 1 1 2 2 ILE H H 2 9.148 9.148 8.338 0.810 17894 542 1 3 . 1 1 3 3 ILE N N 3 108.681 108.681 127.823 -19.142 17894 543 1 3 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.428 0.002 17894 544 1 3 . 1 1 3 3 ILE CA C 3 60.911 60.911 58.880 2.031 17894 545 1 3 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.038 1.517 17894 546 1 3 . 1 1 3 3 ILE H H 3 9.416 9.416 9.579 -0.163 17894 547 1 3 . 1 1 4 4 ASN N N 4 123.966 123.966 126.294 -2.328 17894 548 1 3 . 1 1 4 4 ASN H H 4 9.081 9.081 9.108 -0.027 17894 549 1 3 . 1 1 5 5 ASN N N 5 120.745 120.745 118.474 2.271 17894 550 1 3 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.438 0.991 17894 551 1 3 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.427 -1.071 17894 552 1 3 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.931 3.782 17894 553 1 3 . 1 1 5 5 ASN H H 5 9.369 9.369 8.091 1.278 17894 554 1 3 . 1 1 6 6 LEU N N 6 120.594 120.594 122.096 -1.502 17894 555 1 3 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.823 -0.057 17894 556 1 3 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.538 2.061 17894 557 1 3 . 1 1 6 6 LEU H H 6 8.538 8.538 8.207 0.331 17894 558 1 3 . 1 1 7 7 LYS N N 7 118.177 118.177 118.109 0.068 17894 559 1 3 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.918 -0.010 17894 560 1 3 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.045 2.261 17894 561 1 3 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.094 2.109 17894 562 1 3 . 1 1 7 7 LYS H H 7 8.940 8.940 7.729 1.211 17894 563 1 3 . 1 1 8 8 LEU N N 8 116.356 116.356 119.338 -2.982 17894 564 1 3 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.075 0.097 17894 565 1 3 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.404 0.886 17894 566 1 3 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.833 2.095 17894 567 1 3 . 1 1 8 8 LEU H H 8 7.687 7.687 7.516 0.171 17894 568 1 3 . 1 1 9 9 ILE N N 9 119.134 119.134 117.589 1.545 17894 569 1 3 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.691 0.122 17894 570 1 3 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.483 -0.625 17894 571 1 3 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.667 0.163 17894 572 1 3 . 1 1 9 9 ILE H H 9 8.225 8.225 7.483 0.742 17894 573 1 3 . 1 1 10 10 ARG N N 10 120.162 120.162 120.938 -0.776 17894 574 1 3 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.919 -0.040 17894 575 1 3 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.509 2.159 17894 576 1 3 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.241 -0.841 17894 577 1 3 . 1 1 10 10 ARG H H 10 9.259 9.259 8.923 0.336 17894 578 1 3 . 1 1 11 11 GLU N N 11 115.878 115.878 119.620 -3.742 17894 579 1 3 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.189 -0.017 17894 580 1 3 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.814 1.472 17894 581 1 3 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.738 1.076 17894 582 1 3 . 1 1 11 11 GLU H H 11 8.703 8.703 9.034 -0.331 17894 583 1 3 . 1 1 12 12 LYS N N 12 122.935 122.935 121.643 1.292 17894 584 1 3 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.018 0.188 17894 585 1 3 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.165 1.110 17894 586 1 3 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.405 0.493 17894 587 1 3 . 1 1 12 12 LYS H H 12 8.256 8.256 8.133 0.123 17894 588 1 3 . 1 1 13 13 LYS N N 13 116.350 116.350 115.972 0.378 17894 589 1 3 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.290 0.006 17894 590 1 3 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.029 -0.098 17894 591 1 3 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.832 -0.383 17894 592 1 3 . 1 1 13 13 LYS H H 13 7.813 7.813 7.536 0.277 17894 593 1 3 . 1 1 14 14 LYS N N 14 115.317 115.317 115.642 -0.325 17894 594 1 3 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.046 -0.083 17894 595 1 3 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.565 1.223 17894 596 1 3 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.720 -0.672 17894 597 1 3 . 1 1 14 14 LYS H H 14 8.068 8.068 7.564 0.504 17894 598 1 3 . 1 1 15 15 ILE N N 15 118.373 118.373 119.337 -0.964 17894 599 1 3 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.135 0.477 17894 600 1 3 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.784 1.274 17894 601 1 3 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.316 3.480 17894 602 1 3 . 1 1 15 15 ILE H H 15 7.573 7.573 8.612 -1.039 17894 603 1 3 . 1 1 16 16 SER N N 16 125.057 125.057 121.089 3.968 17894 604 1 3 . 1 1 16 16 SER HA H 16 4.566 4.566 4.715 -0.149 17894 605 1 3 . 1 1 16 16 SER CA C 16 57.781 57.781 57.494 0.287 17894 606 1 3 . 1 1 16 16 SER H H 16 9.457 9.457 8.191 1.266 17894 607 1 3 . 1 1 17 17 GLN N N 17 120.197 120.197 122.102 -1.905 17894 608 1 3 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.028 -0.250 17894 609 1 3 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.318 3.344 17894 610 1 3 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.050 1.611 17894 611 1 3 . 1 1 17 17 GLN H H 17 9.544 9.544 9.017 0.527 17894 612 1 3 . 1 1 18 18 SER N N 18 112.998 112.998 116.249 -3.251 17894 613 1 3 . 1 1 18 18 SER H H 18 8.985 8.985 8.620 0.365 17894 614 1 3 . 1 1 19 19 GLU N N 19 124.112 124.112 121.835 2.277 17894 615 1 3 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.060 0.046 17894 616 1 3 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.950 0.563 17894 617 1 3 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.768 1.671 17894 618 1 3 . 1 1 19 19 GLU H H 19 8.349 8.349 8.508 -0.159 17894 619 1 3 . 1 1 20 20 LEU N N 20 119.955 119.955 122.282 -2.327 17894 620 1 3 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.925 0.201 17894 621 1 3 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.461 -0.069 17894 622 1 3 . 1 1 20 20 LEU H H 20 8.321 8.321 7.553 0.768 17894 623 1 3 . 1 1 21 21 ALA N N 21 119.830 119.830 121.060 -1.230 17894 624 1 3 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.882 -0.173 17894 625 1 3 . 1 1 21 21 ALA CA C 21 56.272 56.272 54.999 1.273 17894 626 1 3 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.080 -0.345 17894 627 1 3 . 1 1 21 21 ALA H H 21 8.595 8.595 8.511 0.084 17894 628 1 3 . 1 1 22 22 ALA N N 22 117.258 117.258 121.304 -4.046 17894 629 1 3 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.958 0.305 17894 630 1 3 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.754 0.755 17894 631 1 3 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.550 -0.020 17894 632 1 3 . 1 1 22 22 ALA H H 22 7.818 7.818 8.134 -0.316 17894 633 1 3 . 1 1 23 23 LEU N N 23 118.586 118.586 117.876 0.710 17894 634 1 3 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.699 0.261 17894 635 1 3 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.758 1.242 17894 636 1 3 . 1 1 23 23 LEU H H 23 7.537 7.537 7.985 -0.448 17894 637 1 3 . 1 1 24 24 LEU N N 24 114.488 114.488 114.491 -0.003 17894 638 1 3 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.044 0.219 17894 639 1 3 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.856 -0.162 17894 640 1 3 . 1 1 24 24 LEU H H 24 7.448 7.448 7.818 -0.370 17894 641 1 3 . 1 1 25 25 GLU N N 25 114.895 114.895 113.517 1.378 17894 642 1 3 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.972 -0.007 17894 643 1 3 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.185 0.863 17894 644 1 3 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.622 0.271 17894 645 1 3 . 1 1 25 25 GLU H H 25 8.028 8.028 7.849 0.179 17894 646 1 3 . 1 1 26 26 VAL N N 26 109.697 109.697 111.778 -2.081 17894 647 1 3 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.399 0.474 17894 648 1 3 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.398 -0.217 17894 649 1 3 . 1 1 26 26 VAL H H 26 7.990 7.990 7.553 0.437 17894 650 1 3 . 1 1 27 27 SER N N 27 114.369 114.369 116.616 -2.247 17894 651 1 3 . 1 1 27 27 SER HA H 27 4.643 4.643 4.490 0.153 17894 652 1 3 . 1 1 27 27 SER CA C 27 57.345 57.345 59.280 -1.935 17894 653 1 3 . 1 1 27 27 SER CB C 27 63.110 63.110 63.638 -0.528 17894 654 1 3 . 1 1 27 27 SER H H 27 8.633 8.633 8.468 0.165 17894 655 1 3 . 1 1 28 28 ARG N N 28 115.276 115.276 127.610 -12.334 17894 656 1 3 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.906 -0.178 17894 657 1 3 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.358 0.399 17894 658 1 3 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.186 -0.236 17894 659 1 3 . 1 1 28 28 ARG H H 28 8.236 8.236 8.982 -0.746 17894 660 1 3 . 1 1 29 29 GLN N N 29 117.309 117.309 115.951 1.358 17894 661 1 3 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.096 0.057 17894 662 1 3 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.030 0.983 17894 663 1 3 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.542 0.926 17894 664 1 3 . 1 1 29 29 GLN H H 29 8.835 8.835 8.863 -0.028 17894 665 1 3 . 1 1 30 30 THR N N 30 119.984 119.984 116.194 3.790 17894 666 1 3 . 1 1 30 30 THR HA H 30 4.418 4.418 4.048 0.370 17894 667 1 3 . 1 1 30 30 THR CA C 30 68.600 68.600 66.250 2.350 17894 668 1 3 . 1 1 30 30 THR CB C 30 67.556 67.556 68.379 -0.823 17894 669 1 3 . 1 1 30 30 THR H H 30 8.136 8.136 7.410 0.726 17894 670 1 3 . 1 1 31 31 ILE N N 31 118.828 118.828 122.421 -3.593 17894 671 1 3 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.772 0.013 17894 672 1 3 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.881 -1.952 17894 673 1 3 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.819 -0.842 17894 674 1 3 . 1 1 31 31 ILE H H 31 7.162 7.162 7.557 -0.395 17894 675 1 3 . 1 1 32 32 ASN N N 32 118.028 118.028 118.450 -0.422 17894 676 1 3 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.452 -0.122 17894 677 1 3 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.875 2.320 17894 678 1 3 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.599 2.546 17894 679 1 3 . 1 1 32 32 ASN H H 32 8.668 8.668 8.855 -0.187 17894 680 1 3 . 1 1 33 33 GLY N N 33 124.941 124.941 109.278 15.663 17894 681 1 3 . 1 1 33 33 GLY H H 33 8.656 8.656 7.929 0.727 17894 682 1 3 . 1 1 34 34 ILE N N 34 122.198 122.198 122.945 -0.747 17894 683 1 3 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.800 0.484 17894 684 1 3 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.429 1.111 17894 685 1 3 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.178 1.008 17894 686 1 3 . 1 1 34 34 ILE H H 34 8.205 8.205 8.586 -0.381 17894 687 1 3 . 1 1 35 35 GLU N N 35 120.651 120.651 117.130 3.521 17894 688 1 3 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.240 -0.027 17894 689 1 3 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.437 2.155 17894 690 1 3 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.791 -0.039 17894 691 1 3 . 1 1 35 35 GLU H H 35 8.592 8.592 8.289 0.303 17894 692 1 3 . 1 1 36 36 LYS N N 36 115.995 115.995 117.216 -1.221 17894 693 1 3 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.054 0.448 17894 694 1 3 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.574 -2.290 17894 695 1 3 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.160 -0.321 17894 696 1 3 . 1 1 36 36 LYS H H 36 8.111 8.111 7.885 0.226 17894 697 1 3 . 1 1 37 37 ASN N N 37 114.563 114.563 110.283 4.280 17894 698 1 3 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.693 0.055 17894 699 1 3 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.465 2.223 17894 700 1 3 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.753 -1.949 17894 701 1 3 . 1 1 37 37 ASN H H 37 8.223 8.223 8.288 -0.065 17894 702 1 3 . 1 1 38 38 LYS N N 38 115.051 115.051 121.960 -6.909 17894 703 1 3 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.977 0.444 17894 704 1 3 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.919 1.077 17894 705 1 3 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.086 1.050 17894 706 1 3 . 1 1 38 38 LYS H H 38 8.734 8.734 8.166 0.568 17894 707 1 3 . 1 1 39 39 TYR N N 39 116.976 116.976 120.003 -3.027 17894 708 1 3 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.320 0.289 17894 709 1 3 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.697 -1.320 17894 710 1 3 . 1 1 39 39 TYR H H 39 7.089 7.089 7.555 -0.466 17894 711 1 3 . 1 1 40 40 ASN N N 40 123.607 123.607 120.141 3.466 17894 712 1 3 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.880 0.496 17894 713 1 3 . 1 1 40 40 ASN H H 40 8.862 8.862 8.430 0.432 17894 714 1 3 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.485 -0.696 17894 715 1 3 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.400 1.070 17894 716 1 3 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.588 -0.127 17894 717 1 3 . 1 1 42 42 SER N N 42 125.650 125.650 114.876 10.774 17894 718 1 3 . 1 1 42 42 SER HA H 42 4.556 4.556 4.219 0.337 17894 719 1 3 . 1 1 42 42 SER CA C 42 58.198 58.198 58.544 -0.346 17894 720 1 3 . 1 1 42 42 SER H H 42 8.056 8.056 8.206 -0.150 17894 721 1 3 . 1 1 43 43 LEU N N 43 120.689 120.689 124.745 -4.056 17894 722 1 3 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.980 -0.067 17894 723 1 3 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.015 1.230 17894 724 1 3 . 1 1 43 43 LEU H H 43 9.296 9.296 8.714 0.582 17894 725 1 3 . 1 1 44 44 GLN N N 44 115.960 115.960 119.356 -3.396 17894 726 1 3 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.122 -0.425 17894 727 1 3 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.872 2.000 17894 728 1 3 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.571 0.579 17894 729 1 3 . 1 1 44 44 GLN H H 44 8.915 8.915 8.462 0.453 17894 730 1 3 . 1 1 45 45 LEU N N 45 119.431 119.431 120.200 -0.769 17894 731 1 3 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.088 -0.196 17894 732 1 3 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.868 -2.344 17894 733 1 3 . 1 1 45 45 LEU H H 45 8.093 8.093 8.149 -0.056 17894 734 1 3 . 1 1 46 46 ALA N N 46 120.497 120.497 122.489 -1.992 17894 735 1 3 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.139 -0.105 17894 736 1 3 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.431 1.069 17894 737 1 3 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.069 2.584 17894 738 1 3 . 1 1 46 46 ALA H H 46 8.512 8.512 8.385 0.127 17894 739 1 3 . 1 1 47 47 LEU N N 47 116.461 116.461 119.087 -2.626 17894 740 1 3 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.865 0.349 17894 741 1 3 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.215 0.186 17894 742 1 3 . 1 1 47 47 LEU H H 47 8.675 8.675 8.695 -0.020 17894 743 1 3 . 1 1 48 48 LYS N N 48 120.970 120.970 120.305 0.665 17894 744 1 3 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.221 -0.641 17894 745 1 3 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.157 0.570 17894 746 1 3 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.561 0.607 17894 747 1 3 . 1 1 48 48 LYS H H 48 8.053 8.053 8.564 -0.511 17894 748 1 3 . 1 1 49 49 ILE N N 49 120.407 120.407 120.687 -0.280 17894 749 1 3 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.792 -0.194 17894 750 1 3 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.647 2.454 17894 751 1 3 . 1 1 49 49 ILE H H 49 8.783 8.783 8.681 0.102 17894 752 1 3 . 1 1 50 50 ALA N N 50 120.445 120.445 123.250 -2.805 17894 753 1 3 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.156 -0.086 17894 754 1 3 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.242 1.158 17894 755 1 3 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.389 0.516 17894 756 1 3 . 1 1 50 50 ALA H H 50 8.182 8.182 8.707 -0.525 17894 757 1 3 . 1 1 51 51 TYR N N 51 117.070 117.070 120.323 -3.253 17894 758 1 3 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.065 0.288 17894 759 1 3 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.991 0.362 17894 760 1 3 . 1 1 51 51 TYR H H 51 8.170 8.170 8.771 -0.601 17894 761 1 3 . 1 1 52 52 TYR N N 52 118.548 118.548 116.048 2.500 17894 762 1 3 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.169 0.135 17894 763 1 3 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.544 2.264 17894 764 1 3 . 1 1 52 52 TYR H H 52 9.079 9.079 8.569 0.510 17894 765 1 3 . 1 1 53 53 LEU N N 53 115.427 115.427 117.713 -2.286 17894 766 1 3 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.169 0.367 17894 767 1 3 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.078 -1.034 17894 768 1 3 . 1 1 53 53 LEU H H 53 8.417 8.417 8.219 0.198 17894 769 1 3 . 1 1 54 54 ASN N N 54 122.105 122.105 116.298 5.807 17894 770 1 3 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.396 0.053 17894 771 1 3 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.465 0.226 17894 772 1 3 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.800 1.831 17894 773 1 3 . 1 1 54 54 ASN H H 54 8.090 8.090 8.337 -0.247 17894 774 1 3 . 1 1 55 55 THR N N 55 114.929 114.929 115.212 -0.283 17894 775 1 3 . 1 1 55 55 THR HA H 55 4.933 4.933 4.627 0.306 17894 776 1 3 . 1 1 55 55 THR CA C 55 60.962 60.962 60.862 0.100 17894 777 1 3 . 1 1 55 55 THR CB C 55 75.743 75.743 71.737 4.006 17894 778 1 3 . 1 1 55 55 THR H H 55 8.255 8.255 8.266 -0.011 17894 779 1 3 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.571 0.025 17894 780 1 3 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.590 1.014 17894 781 1 3 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.442 0.477 17894 782 1 3 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.190 -0.120 17894 783 1 3 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.572 2.050 17894 784 1 3 . 1 1 58 58 GLU N N 58 123.143 123.143 118.857 4.286 17894 785 1 3 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.556 0.318 17894 786 1 3 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.985 -0.486 17894 787 1 3 . 1 1 58 58 GLU H H 58 9.365 9.365 8.755 0.610 17894 788 1 3 . 1 1 59 59 ASP N N 59 117.681 117.681 117.464 0.217 17894 789 1 3 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.439 0.184 17894 790 1 3 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.895 -0.433 17894 791 1 3 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.712 0.179 17894 792 1 3 . 1 1 59 59 ASP H H 59 8.014 8.014 8.077 -0.063 17894 793 1 3 . 1 1 60 60 ILE N N 60 119.519 119.519 113.501 6.018 17894 794 1 3 . 1 1 60 60 ILE H H 60 8.209 8.209 7.515 0.694 17894 795 1 3 . 1 1 61 61 PHE N N 61 115.960 115.960 120.217 -4.257 17894 796 1 3 . 1 1 61 61 PHE H H 61 8.532 8.532 8.302 0.230 17894 797 1 3 . 1 1 62 62 GLN N N 62 116.724 116.724 123.415 -6.691 17894 798 1 3 . 1 1 62 62 GLN H H 62 8.752 8.752 8.911 -0.159 17894 799 1 3 . 1 1 63 63 TRP N N 63 125.611 125.611 122.620 2.991 17894 800 1 3 . 1 1 63 63 TRP H H 63 9.476 9.476 8.195 1.281 17894 801 1 3 . 1 1 64 64 GLN N N 64 127.087 127.087 118.643 8.444 17894 802 1 3 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.802 -0.623 17894 803 1 3 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.385 0.017 17894 804 1 3 . 1 1 64 64 GLN CB C 64 31.573 31.573 31.038 0.535 17894 805 1 3 . 1 1 64 64 GLN H H 64 7.989 7.989 8.882 -0.893 17894 806 1 3 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.431 0.251 17894 807 1 3 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.138 -1.624 17894 808 1 4 . 1 1 2 2 ILE N N 2 123.202 123.202 121.791 1.411 17894 809 1 4 . 1 1 2 2 ILE CB C 2 40.032 40.032 35.205 4.827 17894 810 1 4 . 1 1 2 2 ILE H H 2 9.148 9.148 8.415 0.733 17894 811 1 4 . 1 1 3 3 ILE N N 3 108.681 108.681 115.853 -7.172 17894 812 1 4 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.648 0.782 17894 813 1 4 . 1 1 3 3 ILE CA C 3 60.911 60.911 63.539 -2.628 17894 814 1 4 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.448 3.107 17894 815 1 4 . 1 1 3 3 ILE H H 3 9.416 9.416 8.008 1.408 17894 816 1 4 . 1 1 4 4 ASN N N 4 123.966 123.966 115.907 8.059 17894 817 1 4 . 1 1 4 4 ASN H H 4 9.081 9.081 8.973 0.108 17894 818 1 4 . 1 1 5 5 ASN N N 5 120.745 120.745 117.164 3.581 17894 819 1 4 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.564 0.865 17894 820 1 4 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.849 -1.493 17894 821 1 4 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.722 2.991 17894 822 1 4 . 1 1 5 5 ASN H H 5 9.369 9.369 8.907 0.462 17894 823 1 4 . 1 1 6 6 LEU N N 6 120.594 120.594 122.817 -2.223 17894 824 1 4 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.850 -0.084 17894 825 1 4 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.375 2.224 17894 826 1 4 . 1 1 6 6 LEU H H 6 8.538 8.538 8.015 0.523 17894 827 1 4 . 1 1 7 7 LYS N N 7 118.177 118.177 117.594 0.583 17894 828 1 4 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.052 -0.144 17894 829 1 4 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.154 2.152 17894 830 1 4 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.362 1.841 17894 831 1 4 . 1 1 7 7 LYS H H 7 8.940 8.940 7.431 1.509 17894 832 1 4 . 1 1 8 8 LEU N N 8 116.356 116.356 121.008 -4.652 17894 833 1 4 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.127 0.045 17894 834 1 4 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.204 1.086 17894 835 1 4 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.713 2.215 17894 836 1 4 . 1 1 8 8 LEU H H 8 7.687 7.687 7.801 -0.114 17894 837 1 4 . 1 1 9 9 ILE N N 9 119.134 119.134 118.764 0.370 17894 838 1 4 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.666 0.147 17894 839 1 4 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.236 0.622 17894 840 1 4 . 1 1 9 9 ILE CB C 9 37.830 37.830 36.086 1.744 17894 841 1 4 . 1 1 9 9 ILE H H 9 8.225 8.225 8.335 -0.110 17894 842 1 4 . 1 1 10 10 ARG N N 10 120.162 120.162 121.344 -1.182 17894 843 1 4 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.866 0.013 17894 844 1 4 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.755 1.913 17894 845 1 4 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.300 -0.901 17894 846 1 4 . 1 1 10 10 ARG H H 10 9.259 9.259 8.934 0.326 17894 847 1 4 . 1 1 11 11 GLU N N 11 115.878 115.878 118.802 -2.924 17894 848 1 4 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.091 0.081 17894 849 1 4 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.122 1.164 17894 850 1 4 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.886 0.928 17894 851 1 4 . 1 1 11 11 GLU H H 11 8.703 8.703 8.805 -0.102 17894 852 1 4 . 1 1 12 12 LYS N N 12 122.935 122.935 122.098 0.837 17894 853 1 4 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.972 0.234 17894 854 1 4 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.469 0.806 17894 855 1 4 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.614 0.284 17894 856 1 4 . 1 1 12 12 LYS H H 12 8.256 8.256 8.416 -0.160 17894 857 1 4 . 1 1 13 13 LYS N N 13 116.350 116.350 114.600 1.750 17894 858 1 4 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.356 -0.060 17894 859 1 4 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.561 0.370 17894 860 1 4 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.529 -0.080 17894 861 1 4 . 1 1 13 13 LYS H H 13 7.813 7.813 7.696 0.117 17894 862 1 4 . 1 1 14 14 LYS N N 14 115.317 115.317 116.803 -1.486 17894 863 1 4 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.998 -0.035 17894 864 1 4 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.724 1.064 17894 865 1 4 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.879 -0.831 17894 866 1 4 . 1 1 14 14 LYS H H 14 8.068 8.068 7.628 0.440 17894 867 1 4 . 1 1 15 15 ILE N N 15 118.373 118.373 119.466 -1.093 17894 868 1 4 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.004 0.608 17894 869 1 4 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.837 1.221 17894 870 1 4 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.893 3.903 17894 871 1 4 . 1 1 15 15 ILE H H 15 7.573 7.573 8.477 -0.904 17894 872 1 4 . 1 1 16 16 SER N N 16 125.057 125.057 122.289 2.768 17894 873 1 4 . 1 1 16 16 SER HA H 16 4.566 4.566 4.550 0.016 17894 874 1 4 . 1 1 16 16 SER CA C 16 57.781 57.781 58.508 -0.728 17894 875 1 4 . 1 1 16 16 SER H H 16 9.457 9.457 9.293 0.164 17894 876 1 4 . 1 1 17 17 GLN N N 17 120.197 120.197 124.749 -4.552 17894 877 1 4 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.983 -0.205 17894 878 1 4 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.035 2.627 17894 879 1 4 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.351 1.310 17894 880 1 4 . 1 1 17 17 GLN H H 17 9.544 9.544 9.021 0.523 17894 881 1 4 . 1 1 18 18 SER N N 18 112.998 112.998 115.304 -2.306 17894 882 1 4 . 1 1 18 18 SER H H 18 8.985 8.985 8.631 0.354 17894 883 1 4 . 1 1 19 19 GLU N N 19 124.112 124.112 121.876 2.236 17894 884 1 4 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.073 0.033 17894 885 1 4 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.877 0.636 17894 886 1 4 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.958 1.481 17894 887 1 4 . 1 1 19 19 GLU H H 19 8.349 8.349 8.400 -0.051 17894 888 1 4 . 1 1 20 20 LEU N N 20 119.955 119.955 121.865 -1.910 17894 889 1 4 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.906 0.220 17894 890 1 4 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.379 0.013 17894 891 1 4 . 1 1 20 20 LEU H H 20 8.321 8.321 7.917 0.404 17894 892 1 4 . 1 1 21 21 ALA N N 21 119.830 119.830 121.015 -1.185 17894 893 1 4 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.901 -0.192 17894 894 1 4 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.081 1.191 17894 895 1 4 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.000 -0.265 17894 896 1 4 . 1 1 21 21 ALA H H 21 8.595 8.595 8.408 0.187 17894 897 1 4 . 1 1 22 22 ALA N N 22 117.258 117.258 121.359 -4.101 17894 898 1 4 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.975 0.288 17894 899 1 4 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.803 0.706 17894 900 1 4 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.455 0.075 17894 901 1 4 . 1 1 22 22 ALA H H 22 7.818 7.818 7.725 0.093 17894 902 1 4 . 1 1 23 23 LEU N N 23 118.586 118.586 118.040 0.546 17894 903 1 4 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.692 0.268 17894 904 1 4 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.949 1.051 17894 905 1 4 . 1 1 23 23 LEU H H 23 7.537 7.537 7.762 -0.225 17894 906 1 4 . 1 1 24 24 LEU N N 24 114.488 114.488 115.121 -0.633 17894 907 1 4 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.180 0.083 17894 908 1 4 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.331 -0.637 17894 909 1 4 . 1 1 24 24 LEU H H 24 7.448 7.448 7.958 -0.510 17894 910 1 4 . 1 1 25 25 GLU N N 25 114.895 114.895 113.062 1.833 17894 911 1 4 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.993 -0.028 17894 912 1 4 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.101 0.947 17894 913 1 4 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.605 0.288 17894 914 1 4 . 1 1 25 25 GLU H H 25 8.028 8.028 8.068 -0.040 17894 915 1 4 . 1 1 26 26 VAL N N 26 109.697 109.697 112.975 -3.278 17894 916 1 4 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.577 0.296 17894 917 1 4 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.538 -0.357 17894 918 1 4 . 1 1 26 26 VAL H H 26 7.990 7.990 7.808 0.182 17894 919 1 4 . 1 1 27 27 SER N N 27 114.369 114.369 116.499 -2.130 17894 920 1 4 . 1 1 27 27 SER HA H 27 4.643 4.643 4.610 0.033 17894 921 1 4 . 1 1 27 27 SER CA C 27 57.345 57.345 57.139 0.206 17894 922 1 4 . 1 1 27 27 SER CB C 27 63.110 63.110 64.611 -1.501 17894 923 1 4 . 1 1 27 27 SER H H 27 8.633 8.633 8.472 0.161 17894 924 1 4 . 1 1 28 28 ARG N N 28 115.276 115.276 125.224 -9.948 17894 925 1 4 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.918 -0.190 17894 926 1 4 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.271 0.487 17894 927 1 4 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.900 0.050 17894 928 1 4 . 1 1 28 28 ARG H H 28 8.236 8.236 9.044 -0.808 17894 929 1 4 . 1 1 29 29 GLN N N 29 117.309 117.309 117.066 0.243 17894 930 1 4 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.298 -0.145 17894 931 1 4 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.043 0.970 17894 932 1 4 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.229 1.239 17894 933 1 4 . 1 1 29 29 GLN H H 29 8.835 8.835 8.856 -0.021 17894 934 1 4 . 1 1 30 30 THR N N 30 119.984 119.984 116.665 3.319 17894 935 1 4 . 1 1 30 30 THR HA H 30 4.418 4.418 4.039 0.379 17894 936 1 4 . 1 1 30 30 THR CA C 30 68.600 68.600 66.118 2.482 17894 937 1 4 . 1 1 30 30 THR CB C 30 67.556 67.556 68.523 -0.967 17894 938 1 4 . 1 1 30 30 THR H H 30 8.136 8.136 7.584 0.552 17894 939 1 4 . 1 1 31 31 ILE N N 31 118.828 118.828 122.755 -3.927 17894 940 1 4 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.830 -0.045 17894 941 1 4 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.439 -1.510 17894 942 1 4 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.976 -0.999 17894 943 1 4 . 1 1 31 31 ILE H H 31 7.162 7.162 7.444 -0.282 17894 944 1 4 . 1 1 32 32 ASN N N 32 118.028 118.028 117.819 0.209 17894 945 1 4 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.562 -0.232 17894 946 1 4 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.414 2.781 17894 947 1 4 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.433 2.712 17894 948 1 4 . 1 1 32 32 ASN H H 32 8.668 8.668 8.933 -0.265 17894 949 1 4 . 1 1 33 33 GLY N N 33 124.941 124.941 109.764 15.177 17894 950 1 4 . 1 1 33 33 GLY H H 33 8.656 8.656 8.054 0.602 17894 951 1 4 . 1 1 34 34 ILE N N 34 122.198 122.198 123.412 -1.214 17894 952 1 4 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.612 0.672 17894 953 1 4 . 1 1 34 34 ILE CA C 34 65.540 65.540 65.224 0.316 17894 954 1 4 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.079 1.107 17894 955 1 4 . 1 1 34 34 ILE H H 34 8.205 8.205 8.723 -0.518 17894 956 1 4 . 1 1 35 35 GLU N N 35 120.651 120.651 118.772 1.879 17894 957 1 4 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.306 -0.093 17894 958 1 4 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.985 1.607 17894 959 1 4 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.201 0.551 17894 960 1 4 . 1 1 35 35 GLU H H 35 8.592 8.592 8.611 -0.019 17894 961 1 4 . 1 1 36 36 LYS N N 36 115.995 115.995 119.553 -3.558 17894 962 1 4 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.086 0.416 17894 963 1 4 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.681 -1.397 17894 964 1 4 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.134 -0.295 17894 965 1 4 . 1 1 36 36 LYS H H 36 8.111 8.111 7.621 0.490 17894 966 1 4 . 1 1 37 37 ASN N N 37 114.563 114.563 114.173 0.390 17894 967 1 4 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.604 0.144 17894 968 1 4 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.079 2.609 17894 969 1 4 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.381 -0.577 17894 970 1 4 . 1 1 37 37 ASN H H 37 8.223 8.223 8.430 -0.207 17894 971 1 4 . 1 1 38 38 LYS N N 38 115.051 115.051 121.705 -6.654 17894 972 1 4 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.256 0.165 17894 973 1 4 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.336 2.660 17894 974 1 4 . 1 1 38 38 LYS CB C 38 34.136 34.136 35.380 -1.244 17894 975 1 4 . 1 1 38 38 LYS H H 38 8.734 8.734 7.970 0.764 17894 976 1 4 . 1 1 39 39 TYR N N 39 116.976 116.976 118.305 -1.329 17894 977 1 4 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.306 0.303 17894 978 1 4 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.106 -0.729 17894 979 1 4 . 1 1 39 39 TYR H H 39 7.089 7.089 7.487 -0.398 17894 980 1 4 . 1 1 40 40 ASN N N 40 123.607 123.607 121.249 2.358 17894 981 1 4 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.409 0.967 17894 982 1 4 . 1 1 40 40 ASN H H 40 8.862 8.862 8.589 0.273 17894 983 1 4 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.492 -0.703 17894 984 1 4 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.792 0.678 17894 985 1 4 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.576 -0.115 17894 986 1 4 . 1 1 42 42 SER N N 42 125.650 125.650 116.731 8.919 17894 987 1 4 . 1 1 42 42 SER HA H 42 4.556 4.556 4.390 0.166 17894 988 1 4 . 1 1 42 42 SER CA C 42 58.198 58.198 58.080 0.118 17894 989 1 4 . 1 1 42 42 SER H H 42 8.056 8.056 8.239 -0.183 17894 990 1 4 . 1 1 43 43 LEU N N 43 120.689 120.689 123.304 -2.615 17894 991 1 4 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.010 -0.097 17894 992 1 4 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.538 0.707 17894 993 1 4 . 1 1 43 43 LEU H H 43 9.296 9.296 8.673 0.623 17894 994 1 4 . 1 1 44 44 GLN N N 44 115.960 115.960 120.197 -4.237 17894 995 1 4 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.157 -0.460 17894 996 1 4 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.932 1.940 17894 997 1 4 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.445 0.705 17894 998 1 4 . 1 1 44 44 GLN H H 44 8.915 8.915 8.547 0.368 17894 999 1 4 . 1 1 45 45 LEU N N 45 119.431 119.431 120.181 -0.750 17894 1000 1 4 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.161 -0.269 17894 1001 1 4 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.799 -2.275 17894 1002 1 4 . 1 1 45 45 LEU H H 45 8.093 8.093 8.139 -0.046 17894 1003 1 4 . 1 1 46 46 ALA N N 46 120.497 120.497 122.549 -2.052 17894 1004 1 4 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.166 -0.132 17894 1005 1 4 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.498 1.003 17894 1006 1 4 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.452 2.201 17894 1007 1 4 . 1 1 46 46 ALA H H 46 8.512 8.512 8.511 0.001 17894 1008 1 4 . 1 1 47 47 LEU N N 47 116.461 116.461 118.954 -2.493 17894 1009 1 4 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.915 0.299 17894 1010 1 4 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.298 0.103 17894 1011 1 4 . 1 1 47 47 LEU H H 47 8.675 8.675 8.940 -0.265 17894 1012 1 4 . 1 1 48 48 LYS N N 48 120.970 120.970 119.850 1.120 17894 1013 1 4 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.121 -0.541 17894 1014 1 4 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.111 0.616 17894 1015 1 4 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.459 0.709 17894 1016 1 4 . 1 1 48 48 LYS H H 48 8.053 8.053 8.285 -0.232 17894 1017 1 4 . 1 1 49 49 ILE N N 49 120.407 120.407 120.365 0.042 17894 1018 1 4 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.720 -0.122 17894 1019 1 4 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.528 2.575 17894 1020 1 4 . 1 1 49 49 ILE H H 49 8.783 8.783 8.423 0.360 17894 1021 1 4 . 1 1 50 50 ALA N N 50 120.445 120.445 123.145 -2.700 17894 1022 1 4 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.103 -0.033 17894 1023 1 4 . 1 1 50 50 ALA CA C 50 56.400 56.400 54.998 1.402 17894 1024 1 4 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.369 0.536 17894 1025 1 4 . 1 1 50 50 ALA H H 50 8.182 8.182 8.503 -0.321 17894 1026 1 4 . 1 1 51 51 TYR N N 51 117.070 117.070 118.752 -1.682 17894 1027 1 4 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.004 0.349 17894 1028 1 4 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.608 -0.255 17894 1029 1 4 . 1 1 51 51 TYR H H 51 8.170 8.170 8.647 -0.477 17894 1030 1 4 . 1 1 52 52 TYR N N 52 118.548 118.548 115.791 2.757 17894 1031 1 4 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.336 -0.032 17894 1032 1 4 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.064 2.744 17894 1033 1 4 . 1 1 52 52 TYR H H 52 9.079 9.079 7.957 1.122 17894 1034 1 4 . 1 1 53 53 LEU N N 53 115.427 115.427 119.070 -3.643 17894 1035 1 4 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.148 0.388 17894 1036 1 4 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.300 -1.256 17894 1037 1 4 . 1 1 53 53 LEU H H 53 8.417 8.417 8.673 -0.256 17894 1038 1 4 . 1 1 54 54 ASN N N 54 122.105 122.105 112.299 9.806 17894 1039 1 4 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.370 0.079 17894 1040 1 4 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.154 0.537 17894 1041 1 4 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.074 1.557 17894 1042 1 4 . 1 1 54 54 ASN H H 54 8.090 8.090 8.955 -0.865 17894 1043 1 4 . 1 1 55 55 THR N N 55 114.929 114.929 114.877 0.052 17894 1044 1 4 . 1 1 55 55 THR HA H 55 4.933 4.933 4.749 0.184 17894 1045 1 4 . 1 1 55 55 THR CA C 55 60.962 60.962 60.001 0.961 17894 1046 1 4 . 1 1 55 55 THR CB C 55 75.743 75.743 70.892 4.851 17894 1047 1 4 . 1 1 55 55 THR H H 55 8.255 8.255 7.426 0.829 17894 1048 1 4 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.470 0.126 17894 1049 1 4 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.578 1.026 17894 1050 1 4 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.487 0.432 17894 1051 1 4 . 1 1 57 57 LEU HA H 57 4.070 4.070 3.976 0.094 17894 1052 1 4 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.676 1.946 17894 1053 1 4 . 1 1 58 58 GLU N N 58 123.143 123.143 118.554 4.589 17894 1054 1 4 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.354 0.520 17894 1055 1 4 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.793 -0.294 17894 1056 1 4 . 1 1 58 58 GLU H H 58 9.365 9.365 8.849 0.516 17894 1057 1 4 . 1 1 59 59 ASP N N 59 117.681 117.681 118.412 -0.731 17894 1058 1 4 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.422 0.201 17894 1059 1 4 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.764 -0.302 17894 1060 1 4 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.459 0.432 17894 1061 1 4 . 1 1 59 59 ASP H H 59 8.014 8.014 7.831 0.183 17894 1062 1 4 . 1 1 60 60 ILE N N 60 119.519 119.519 111.023 8.496 17894 1063 1 4 . 1 1 60 60 ILE H H 60 8.209 8.209 6.971 1.238 17894 1064 1 4 . 1 1 61 61 PHE N N 61 115.960 115.960 119.044 -3.084 17894 1065 1 4 . 1 1 61 61 PHE H H 61 8.532 8.532 8.234 0.298 17894 1066 1 4 . 1 1 62 62 GLN N N 62 116.724 116.724 123.685 -6.961 17894 1067 1 4 . 1 1 62 62 GLN H H 62 8.752 8.752 8.510 0.242 17894 1068 1 4 . 1 1 63 63 TRP N N 63 125.611 125.611 122.030 3.581 17894 1069 1 4 . 1 1 63 63 TRP H H 63 9.476 9.476 8.736 0.740 17894 1070 1 4 . 1 1 64 64 GLN N N 64 127.087 127.087 127.644 -0.557 17894 1071 1 4 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.868 -0.689 17894 1072 1 4 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.029 -0.627 17894 1073 1 4 . 1 1 64 64 GLN CB C 64 31.573 31.573 30.411 1.162 17894 1074 1 4 . 1 1 64 64 GLN H H 64 7.989 7.989 8.004 -0.015 17894 1075 1 4 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.485 0.197 17894 1076 1 4 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.579 -1.065 17894 1077 1 5 . 1 1 2 2 ILE N N 2 123.202 123.202 121.507 1.695 17894 1078 1 5 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.057 0.975 17894 1079 1 5 . 1 1 2 2 ILE H H 2 9.148 9.148 7.907 1.242 17894 1080 1 5 . 1 1 3 3 ILE N N 3 108.681 108.681 127.867 -19.186 17894 1081 1 5 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.218 0.212 17894 1082 1 5 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.546 1.365 17894 1083 1 5 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.530 3.025 17894 1084 1 5 . 1 1 3 3 ILE H H 3 9.416 9.416 8.129 1.287 17894 1085 1 5 . 1 1 4 4 ASN N N 4 123.966 123.966 124.716 -0.750 17894 1086 1 5 . 1 1 4 4 ASN H H 4 9.081 9.081 8.836 0.245 17894 1087 1 5 . 1 1 5 5 ASN N N 5 120.745 120.745 118.023 2.722 17894 1088 1 5 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.457 0.972 17894 1089 1 5 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.124 -0.768 17894 1090 1 5 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.814 3.899 17894 1091 1 5 . 1 1 5 5 ASN H H 5 9.369 9.369 8.280 1.089 17894 1092 1 5 . 1 1 6 6 LEU N N 6 120.594 120.594 122.312 -1.718 17894 1093 1 5 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.795 -0.029 17894 1094 1 5 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.990 2.609 17894 1095 1 5 . 1 1 6 6 LEU H H 6 8.538 8.538 8.317 0.221 17894 1096 1 5 . 1 1 7 7 LYS N N 7 118.177 118.177 118.674 -0.497 17894 1097 1 5 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.970 -0.062 17894 1098 1 5 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.282 2.024 17894 1099 1 5 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.894 2.309 17894 1100 1 5 . 1 1 7 7 LYS H H 7 8.940 8.940 7.479 1.461 17894 1101 1 5 . 1 1 8 8 LEU N N 8 116.356 116.356 119.040 -2.684 17894 1102 1 5 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.102 0.070 17894 1103 1 5 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.324 0.966 17894 1104 1 5 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.649 2.279 17894 1105 1 5 . 1 1 8 8 LEU H H 8 7.687 7.687 7.735 -0.048 17894 1106 1 5 . 1 1 9 9 ILE N N 9 119.134 119.134 118.527 0.607 17894 1107 1 5 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.671 0.142 17894 1108 1 5 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.306 -1.448 17894 1109 1 5 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.584 0.246 17894 1110 1 5 . 1 1 9 9 ILE H H 9 8.225 8.225 7.583 0.642 17894 1111 1 5 . 1 1 10 10 ARG N N 10 120.162 120.162 120.600 -0.438 17894 1112 1 5 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.926 -0.047 17894 1113 1 5 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.704 1.964 17894 1114 1 5 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.898 -0.499 17894 1115 1 5 . 1 1 10 10 ARG H H 10 9.259 9.259 8.837 0.422 17894 1116 1 5 . 1 1 11 11 GLU N N 11 115.878 115.878 118.795 -2.917 17894 1117 1 5 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.007 0.165 17894 1118 1 5 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.068 1.218 17894 1119 1 5 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.238 0.576 17894 1120 1 5 . 1 1 11 11 GLU H H 11 8.703 8.703 8.868 -0.165 17894 1121 1 5 . 1 1 12 12 LYS N N 12 122.935 122.935 120.345 2.590 17894 1122 1 5 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.999 0.207 17894 1123 1 5 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.107 1.168 17894 1124 1 5 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.640 0.258 17894 1125 1 5 . 1 1 12 12 LYS H H 12 8.256 8.256 8.345 -0.089 17894 1126 1 5 . 1 1 13 13 LYS N N 13 116.350 116.350 114.996 1.354 17894 1127 1 5 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.411 -0.115 17894 1128 1 5 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.522 0.409 17894 1129 1 5 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.456 -0.007 17894 1130 1 5 . 1 1 13 13 LYS H H 13 7.813 7.813 7.768 0.045 17894 1131 1 5 . 1 1 14 14 LYS N N 14 115.317 115.317 116.085 -0.768 17894 1132 1 5 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.902 0.061 17894 1133 1 5 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.813 0.975 17894 1134 1 5 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.721 -0.673 17894 1135 1 5 . 1 1 14 14 LYS H H 14 8.068 8.068 7.728 0.340 17894 1136 1 5 . 1 1 15 15 ILE N N 15 118.373 118.373 121.286 -2.913 17894 1137 1 5 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.250 0.362 17894 1138 1 5 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.568 0.490 17894 1139 1 5 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.303 3.493 17894 1140 1 5 . 1 1 15 15 ILE H H 15 7.573 7.573 8.472 -0.899 17894 1141 1 5 . 1 1 16 16 SER N N 16 125.057 125.057 124.476 0.581 17894 1142 1 5 . 1 1 16 16 SER HA H 16 4.566 4.566 4.469 0.097 17894 1143 1 5 . 1 1 16 16 SER CA C 16 57.781 57.781 59.071 -1.290 17894 1144 1 5 . 1 1 16 16 SER H H 16 9.457 9.457 9.057 0.400 17894 1145 1 5 . 1 1 17 17 GLN N N 17 120.197 120.197 124.090 -3.893 17894 1146 1 5 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.968 -0.190 17894 1147 1 5 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.839 2.823 17894 1148 1 5 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.421 1.240 17894 1149 1 5 . 1 1 17 17 GLN H H 17 9.544 9.544 9.001 0.543 17894 1150 1 5 . 1 1 18 18 SER N N 18 112.998 112.998 114.447 -1.449 17894 1151 1 5 . 1 1 18 18 SER H H 18 8.985 8.985 8.524 0.461 17894 1152 1 5 . 1 1 19 19 GLU N N 19 124.112 124.112 122.079 2.033 17894 1153 1 5 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.080 0.026 17894 1154 1 5 . 1 1 19 19 GLU CA C 19 59.513 59.513 59.026 0.487 17894 1155 1 5 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.998 1.441 17894 1156 1 5 . 1 1 19 19 GLU H H 19 8.349 8.349 8.365 -0.016 17894 1157 1 5 . 1 1 20 20 LEU N N 20 119.955 119.955 117.799 2.156 17894 1158 1 5 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.091 0.035 17894 1159 1 5 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.323 1.069 17894 1160 1 5 . 1 1 20 20 LEU H H 20 8.321 8.321 7.483 0.838 17894 1161 1 5 . 1 1 21 21 ALA N N 21 119.830 119.830 122.857 -3.027 17894 1162 1 5 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.875 -0.166 17894 1163 1 5 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.079 1.193 17894 1164 1 5 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.902 -0.167 17894 1165 1 5 . 1 1 21 21 ALA H H 21 8.595 8.595 7.673 0.922 17894 1166 1 5 . 1 1 22 22 ALA N N 22 117.258 117.258 121.101 -3.843 17894 1167 1 5 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.968 0.295 17894 1168 1 5 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.802 0.707 17894 1169 1 5 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.471 0.059 17894 1170 1 5 . 1 1 22 22 ALA H H 22 7.818 7.818 7.570 0.248 17894 1171 1 5 . 1 1 23 23 LEU N N 23 118.586 118.586 117.782 0.804 17894 1172 1 5 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.680 0.280 17894 1173 1 5 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.947 1.053 17894 1174 1 5 . 1 1 23 23 LEU H H 23 7.537 7.537 7.727 -0.190 17894 1175 1 5 . 1 1 24 24 LEU N N 24 114.488 114.488 115.372 -0.884 17894 1176 1 5 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.204 0.059 17894 1177 1 5 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.237 -0.543 17894 1178 1 5 . 1 1 24 24 LEU H H 24 7.448 7.448 8.095 -0.647 17894 1179 1 5 . 1 1 25 25 GLU N N 25 114.895 114.895 112.841 2.054 17894 1180 1 5 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.998 -0.033 17894 1181 1 5 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.152 0.896 17894 1182 1 5 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.678 0.215 17894 1183 1 5 . 1 1 25 25 GLU H H 25 8.028 8.028 7.744 0.284 17894 1184 1 5 . 1 1 26 26 VAL N N 26 109.697 109.697 112.461 -2.764 17894 1185 1 5 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.536 0.337 17894 1186 1 5 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.502 -0.321 17894 1187 1 5 . 1 1 26 26 VAL H H 26 7.990 7.990 7.579 0.411 17894 1188 1 5 . 1 1 27 27 SER N N 27 114.369 114.369 117.371 -3.002 17894 1189 1 5 . 1 1 27 27 SER HA H 27 4.643 4.643 4.589 0.054 17894 1190 1 5 . 1 1 27 27 SER CA C 27 57.345 57.345 57.671 -0.326 17894 1191 1 5 . 1 1 27 27 SER CB C 27 63.110 63.110 64.070 -0.960 17894 1192 1 5 . 1 1 27 27 SER H H 27 8.633 8.633 8.500 0.133 17894 1193 1 5 . 1 1 28 28 ARG N N 28 115.276 115.276 126.534 -11.258 17894 1194 1 5 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.905 -0.177 17894 1195 1 5 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.348 0.410 17894 1196 1 5 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.976 -0.026 17894 1197 1 5 . 1 1 28 28 ARG H H 28 8.236 8.236 8.996 -0.760 17894 1198 1 5 . 1 1 29 29 GLN N N 29 117.309 117.309 115.997 1.312 17894 1199 1 5 . 1 1 29 29 GLN HA H 29 4.153 4.153 3.998 0.155 17894 1200 1 5 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.848 1.165 17894 1201 1 5 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.727 0.742 17894 1202 1 5 . 1 1 29 29 GLN H H 29 8.835 8.835 8.834 0.001 17894 1203 1 5 . 1 1 30 30 THR N N 30 119.984 119.984 116.843 3.141 17894 1204 1 5 . 1 1 30 30 THR HA H 30 4.418 4.418 4.010 0.408 17894 1205 1 5 . 1 1 30 30 THR CA C 30 68.600 68.600 65.482 3.118 17894 1206 1 5 . 1 1 30 30 THR CB C 30 67.556 67.556 68.493 -0.937 17894 1207 1 5 . 1 1 30 30 THR H H 30 8.136 8.136 7.554 0.582 17894 1208 1 5 . 1 1 31 31 ILE N N 31 118.828 118.828 122.619 -3.791 17894 1209 1 5 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.765 0.020 17894 1210 1 5 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.801 -1.872 17894 1211 1 5 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.742 -0.765 17894 1212 1 5 . 1 1 31 31 ILE H H 31 7.162 7.162 7.750 -0.588 17894 1213 1 5 . 1 1 32 32 ASN N N 32 118.028 118.028 118.135 -0.107 17894 1214 1 5 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.596 -0.266 17894 1215 1 5 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.900 2.295 17894 1216 1 5 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.802 2.343 17894 1217 1 5 . 1 1 32 32 ASN H H 32 8.668 8.668 8.955 -0.287 17894 1218 1 5 . 1 1 33 33 GLY N N 33 124.941 124.941 109.388 15.553 17894 1219 1 5 . 1 1 33 33 GLY H H 33 8.656 8.656 8.012 0.644 17894 1220 1 5 . 1 1 34 34 ILE N N 34 122.198 122.198 122.182 0.016 17894 1221 1 5 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.808 0.476 17894 1222 1 5 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.286 1.254 17894 1223 1 5 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.126 1.060 17894 1224 1 5 . 1 1 34 34 ILE H H 34 8.205 8.205 8.465 -0.260 17894 1225 1 5 . 1 1 35 35 GLU N N 35 120.651 120.651 116.858 3.793 17894 1226 1 5 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.216 -0.003 17894 1227 1 5 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.745 1.847 17894 1228 1 5 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.629 0.123 17894 1229 1 5 . 1 1 35 35 GLU H H 35 8.592 8.592 7.887 0.705 17894 1230 1 5 . 1 1 36 36 LYS N N 36 115.995 115.995 119.756 -3.761 17894 1231 1 5 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.094 0.408 17894 1232 1 5 . 1 1 36 36 LYS CA C 36 56.284 56.284 59.085 -2.801 17894 1233 1 5 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.950 -0.111 17894 1234 1 5 . 1 1 36 36 LYS H H 36 8.111 8.111 8.067 0.044 17894 1235 1 5 . 1 1 37 37 ASN N N 37 114.563 114.563 110.756 3.807 17894 1236 1 5 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.688 0.060 17894 1237 1 5 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.457 2.231 17894 1238 1 5 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.947 -2.143 17894 1239 1 5 . 1 1 37 37 ASN H H 37 8.223 8.223 8.480 -0.257 17894 1240 1 5 . 1 1 38 38 LYS N N 38 115.051 115.051 121.926 -6.875 17894 1241 1 5 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.881 0.540 17894 1242 1 5 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.411 0.585 17894 1243 1 5 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.962 1.174 17894 1244 1 5 . 1 1 38 38 LYS H H 38 8.734 8.734 8.153 0.581 17894 1245 1 5 . 1 1 39 39 TYR N N 39 116.976 116.976 120.059 -3.083 17894 1246 1 5 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.290 0.320 17894 1247 1 5 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.898 -1.521 17894 1248 1 5 . 1 1 39 39 TYR H H 39 7.089 7.089 7.684 -0.595 17894 1249 1 5 . 1 1 40 40 ASN N N 40 123.607 123.607 120.018 3.589 17894 1250 1 5 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.698 0.678 17894 1251 1 5 . 1 1 40 40 ASN H H 40 8.862 8.862 8.451 0.411 17894 1252 1 5 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.530 -0.741 17894 1253 1 5 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.514 0.956 17894 1254 1 5 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.380 0.080 17894 1255 1 5 . 1 1 42 42 SER N N 42 125.650 125.650 114.359 11.291 17894 1256 1 5 . 1 1 42 42 SER HA H 42 4.556 4.556 4.389 0.167 17894 1257 1 5 . 1 1 42 42 SER CA C 42 58.198 58.198 57.759 0.439 17894 1258 1 5 . 1 1 42 42 SER H H 42 8.056 8.056 8.161 -0.105 17894 1259 1 5 . 1 1 43 43 LEU N N 43 120.689 120.689 122.634 -1.945 17894 1260 1 5 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.921 -0.008 17894 1261 1 5 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.552 0.693 17894 1262 1 5 . 1 1 43 43 LEU H H 43 9.296 9.296 8.671 0.625 17894 1263 1 5 . 1 1 44 44 GLN N N 44 115.960 115.960 118.739 -2.779 17894 1264 1 5 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.099 -0.402 17894 1265 1 5 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.069 1.802 17894 1266 1 5 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.404 0.747 17894 1267 1 5 . 1 1 44 44 GLN H H 44 8.915 8.915 8.564 0.351 17894 1268 1 5 . 1 1 45 45 LEU N N 45 119.431 119.431 121.129 -1.698 17894 1269 1 5 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.117 -0.225 17894 1270 1 5 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.642 -2.118 17894 1271 1 5 . 1 1 45 45 LEU H H 45 8.093 8.093 7.572 0.521 17894 1272 1 5 . 1 1 46 46 ALA N N 46 120.497 120.497 122.340 -1.843 17894 1273 1 5 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.975 0.059 17894 1274 1 5 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.313 1.188 17894 1275 1 5 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.082 2.571 17894 1276 1 5 . 1 1 46 46 ALA H H 46 8.512 8.512 8.521 -0.009 17894 1277 1 5 . 1 1 47 47 LEU N N 47 116.461 116.461 118.996 -2.535 17894 1278 1 5 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.806 0.408 17894 1279 1 5 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.203 0.198 17894 1280 1 5 . 1 1 47 47 LEU H H 47 8.675 8.675 8.707 -0.032 17894 1281 1 5 . 1 1 48 48 LYS N N 48 120.970 120.970 119.646 1.324 17894 1282 1 5 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.030 -0.450 17894 1283 1 5 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.044 0.683 17894 1284 1 5 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.480 0.688 17894 1285 1 5 . 1 1 48 48 LYS H H 48 8.053 8.053 8.402 -0.349 17894 1286 1 5 . 1 1 49 49 ILE N N 49 120.407 120.407 120.362 0.045 17894 1287 1 5 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.780 -0.182 17894 1288 1 5 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.069 3.033 17894 1289 1 5 . 1 1 49 49 ILE H H 49 8.783 8.783 8.430 0.353 17894 1290 1 5 . 1 1 50 50 ALA N N 50 120.445 120.445 123.632 -3.187 17894 1291 1 5 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.088 -0.018 17894 1292 1 5 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.027 1.373 17894 1293 1 5 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.258 0.647 17894 1294 1 5 . 1 1 50 50 ALA H H 50 8.182 8.182 8.649 -0.467 17894 1295 1 5 . 1 1 51 51 TYR N N 51 117.070 117.070 117.794 -0.724 17894 1296 1 5 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.070 0.283 17894 1297 1 5 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.096 0.258 17894 1298 1 5 . 1 1 51 51 TYR H H 51 8.170 8.170 8.305 -0.135 17894 1299 1 5 . 1 1 52 52 TYR N N 52 118.548 118.548 116.341 2.207 17894 1300 1 5 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.374 -0.070 17894 1301 1 5 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.789 3.019 17894 1302 1 5 . 1 1 52 52 TYR H H 52 9.079 9.079 7.774 1.305 17894 1303 1 5 . 1 1 53 53 LEU N N 53 115.427 115.427 118.262 -2.835 17894 1304 1 5 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.174 0.362 17894 1305 1 5 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.368 -1.324 17894 1306 1 5 . 1 1 53 53 LEU H H 53 8.417 8.417 8.688 -0.271 17894 1307 1 5 . 1 1 54 54 ASN N N 54 122.105 122.105 114.729 7.376 17894 1308 1 5 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.424 0.025 17894 1309 1 5 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.647 0.044 17894 1310 1 5 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.640 1.991 17894 1311 1 5 . 1 1 54 54 ASN H H 54 8.090 8.090 8.454 -0.364 17894 1312 1 5 . 1 1 55 55 THR N N 55 114.929 114.929 114.502 0.427 17894 1313 1 5 . 1 1 55 55 THR HA H 55 4.933 4.933 4.781 0.152 17894 1314 1 5 . 1 1 55 55 THR CA C 55 60.962 60.962 60.516 0.446 17894 1315 1 5 . 1 1 55 55 THR CB C 55 75.743 75.743 71.762 3.981 17894 1316 1 5 . 1 1 55 55 THR H H 55 8.255 8.255 7.982 0.273 17894 1317 1 5 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.444 0.152 17894 1318 1 5 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.679 0.925 17894 1319 1 5 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.422 0.497 17894 1320 1 5 . 1 1 57 57 LEU HA H 57 4.070 4.070 3.978 0.092 17894 1321 1 5 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.414 2.208 17894 1322 1 5 . 1 1 58 58 GLU N N 58 123.143 123.143 119.178 3.965 17894 1323 1 5 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.842 1.032 17894 1324 1 5 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.231 0.268 17894 1325 1 5 . 1 1 58 58 GLU H H 58 9.365 9.365 8.785 0.580 17894 1326 1 5 . 1 1 59 59 ASP N N 59 117.681 117.681 117.292 0.389 17894 1327 1 5 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.431 0.192 17894 1328 1 5 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.438 0.024 17894 1329 1 5 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.971 -0.080 17894 1330 1 5 . 1 1 59 59 ASP H H 59 8.014 8.014 7.752 0.262 17894 1331 1 5 . 1 1 60 60 ILE N N 60 119.519 119.519 112.998 6.521 17894 1332 1 5 . 1 1 60 60 ILE H H 60 8.209 8.209 7.274 0.935 17894 1333 1 5 . 1 1 61 61 PHE N N 61 115.960 115.960 120.559 -4.599 17894 1334 1 5 . 1 1 61 61 PHE H H 61 8.532 8.532 8.287 0.245 17894 1335 1 5 . 1 1 62 62 GLN N N 62 116.724 116.724 121.812 -5.088 17894 1336 1 5 . 1 1 62 62 GLN H H 62 8.752 8.752 8.238 0.514 17894 1337 1 5 . 1 1 63 63 TRP N N 63 125.611 125.611 120.805 4.806 17894 1338 1 5 . 1 1 63 63 TRP H H 63 9.476 9.476 8.685 0.791 17894 1339 1 5 . 1 1 64 64 GLN N N 64 127.087 127.087 122.258 4.829 17894 1340 1 5 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.825 -0.646 17894 1341 1 5 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.789 -0.388 17894 1342 1 5 . 1 1 64 64 GLN CB C 64 31.573 31.573 30.904 0.669 17894 1343 1 5 . 1 1 64 64 GLN H H 64 7.989 7.989 8.454 -0.465 17894 1344 1 5 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.337 0.345 17894 1345 1 5 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.426 -1.912 17894 1346 1 6 . 1 1 2 2 ILE N N 2 123.202 123.202 118.139 5.063 17894 1347 1 6 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.891 1.141 17894 1348 1 6 . 1 1 2 2 ILE H H 2 9.148 9.148 8.186 0.962 17894 1349 1 6 . 1 1 3 3 ILE N N 3 108.681 108.681 117.739 -9.058 17894 1350 1 6 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.665 0.765 17894 1351 1 6 . 1 1 3 3 ILE CA C 3 60.911 60.911 63.907 -2.996 17894 1352 1 6 . 1 1 3 3 ILE CB C 3 39.555 39.555 35.670 3.885 17894 1353 1 6 . 1 1 3 3 ILE H H 3 9.416 9.416 8.213 1.203 17894 1354 1 6 . 1 1 4 4 ASN N N 4 123.966 123.966 115.264 8.702 17894 1355 1 6 . 1 1 4 4 ASN H H 4 9.081 9.081 8.932 0.149 17894 1356 1 6 . 1 1 5 5 ASN N N 5 120.745 120.745 115.579 5.166 17894 1357 1 6 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.470 0.959 17894 1358 1 6 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.146 -0.790 17894 1359 1 6 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.681 4.032 17894 1360 1 6 . 1 1 5 5 ASN H H 5 9.369 9.369 8.518 0.851 17894 1361 1 6 . 1 1 6 6 LEU N N 6 120.594 120.594 122.597 -2.003 17894 1362 1 6 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.837 -0.071 17894 1363 1 6 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.044 2.555 17894 1364 1 6 . 1 1 6 6 LEU H H 6 8.538 8.538 7.944 0.594 17894 1365 1 6 . 1 1 7 7 LYS N N 7 118.177 118.177 118.190 -0.013 17894 1366 1 6 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.899 0.009 17894 1367 1 6 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.242 2.064 17894 1368 1 6 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.023 2.180 17894 1369 1 6 . 1 1 7 7 LYS H H 7 8.940 8.940 7.523 1.417 17894 1370 1 6 . 1 1 8 8 LEU N N 8 116.356 116.356 119.684 -3.328 17894 1371 1 6 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.314 -0.142 17894 1372 1 6 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.919 1.371 17894 1373 1 6 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.792 2.136 17894 1374 1 6 . 1 1 8 8 LEU H H 8 7.687 7.687 7.695 -0.008 17894 1375 1 6 . 1 1 9 9 ILE N N 9 119.134 119.134 118.526 0.608 17894 1376 1 6 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.554 0.259 17894 1377 1 6 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.506 -1.648 17894 1378 1 6 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.533 0.297 17894 1379 1 6 . 1 1 9 9 ILE H H 9 8.225 8.225 7.264 0.961 17894 1380 1 6 . 1 1 10 10 ARG N N 10 120.162 120.162 121.025 -0.863 17894 1381 1 6 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.858 0.021 17894 1382 1 6 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.575 2.093 17894 1383 1 6 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.015 -0.616 17894 1384 1 6 . 1 1 10 10 ARG H H 10 9.259 9.259 8.602 0.657 17894 1385 1 6 . 1 1 11 11 GLU N N 11 115.878 115.878 118.393 -2.515 17894 1386 1 6 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.099 0.073 17894 1387 1 6 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.437 1.849 17894 1388 1 6 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.115 0.699 17894 1389 1 6 . 1 1 11 11 GLU H H 11 8.703 8.703 8.834 -0.131 17894 1390 1 6 . 1 1 12 12 LYS N N 12 122.935 122.935 121.825 1.110 17894 1391 1 6 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.060 0.146 17894 1392 1 6 . 1 1 12 12 LYS CA C 12 60.275 60.275 58.935 1.340 17894 1393 1 6 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.512 0.386 17894 1394 1 6 . 1 1 12 12 LYS H H 12 8.256 8.256 8.109 0.147 17894 1395 1 6 . 1 1 13 13 LYS N N 13 116.350 116.350 115.614 0.736 17894 1396 1 6 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.255 0.041 17894 1397 1 6 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.546 -0.615 17894 1398 1 6 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.855 -0.406 17894 1399 1 6 . 1 1 13 13 LYS H H 13 7.813 7.813 7.704 0.109 17894 1400 1 6 . 1 1 14 14 LYS N N 14 115.317 115.317 114.161 1.156 17894 1401 1 6 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.028 -0.065 17894 1402 1 6 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.633 1.155 17894 1403 1 6 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.442 -0.394 17894 1404 1 6 . 1 1 14 14 LYS H H 14 8.068 8.068 7.507 0.561 17894 1405 1 6 . 1 1 15 15 ILE N N 15 118.373 118.373 120.050 -1.677 17894 1406 1 6 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.220 0.392 17894 1407 1 6 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.489 0.569 17894 1408 1 6 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.720 4.076 17894 1409 1 6 . 1 1 15 15 ILE H H 15 7.573 7.573 8.545 -0.972 17894 1410 1 6 . 1 1 16 16 SER N N 16 125.057 125.057 122.914 2.143 17894 1411 1 6 . 1 1 16 16 SER HA H 16 4.566 4.566 4.675 -0.109 17894 1412 1 6 . 1 1 16 16 SER CA C 16 57.781 57.781 58.126 -0.345 17894 1413 1 6 . 1 1 16 16 SER H H 16 9.457 9.457 9.909 -0.452 17894 1414 1 6 . 1 1 17 17 GLN N N 17 120.197 120.197 124.942 -4.745 17894 1415 1 6 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.963 -0.185 17894 1416 1 6 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.044 2.618 17894 1417 1 6 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.270 1.391 17894 1418 1 6 . 1 1 17 17 GLN H H 17 9.544 9.544 9.063 0.480 17894 1419 1 6 . 1 1 18 18 SER N N 18 112.998 112.998 115.925 -2.927 17894 1420 1 6 . 1 1 18 18 SER H H 18 8.985 8.985 8.591 0.394 17894 1421 1 6 . 1 1 19 19 GLU N N 19 124.112 124.112 122.293 1.819 17894 1422 1 6 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.004 0.102 17894 1423 1 6 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.955 0.559 17894 1424 1 6 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.320 1.119 17894 1425 1 6 . 1 1 19 19 GLU H H 19 8.349 8.349 8.346 0.003 17894 1426 1 6 . 1 1 20 20 LEU N N 20 119.955 119.955 121.848 -1.893 17894 1427 1 6 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.904 0.222 17894 1428 1 6 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.517 -0.124 17894 1429 1 6 . 1 1 20 20 LEU H H 20 8.321 8.321 7.934 0.387 17894 1430 1 6 . 1 1 21 21 ALA N N 21 119.830 119.830 121.004 -1.174 17894 1431 1 6 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.894 -0.185 17894 1432 1 6 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.073 1.199 17894 1433 1 6 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.039 -0.304 17894 1434 1 6 . 1 1 21 21 ALA H H 21 8.595 8.595 8.677 -0.082 17894 1435 1 6 . 1 1 22 22 ALA N N 22 117.258 117.258 121.532 -4.274 17894 1436 1 6 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.955 0.308 17894 1437 1 6 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.774 0.735 17894 1438 1 6 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.520 0.010 17894 1439 1 6 . 1 1 22 22 ALA H H 22 7.818 7.818 8.068 -0.250 17894 1440 1 6 . 1 1 23 23 LEU N N 23 118.586 118.586 118.432 0.154 17894 1441 1 6 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.514 0.446 17894 1442 1 6 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.978 1.022 17894 1443 1 6 . 1 1 23 23 LEU H H 23 7.537 7.537 8.082 -0.545 17894 1444 1 6 . 1 1 24 24 LEU N N 24 114.488 114.488 114.892 -0.404 17894 1445 1 6 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.126 0.137 17894 1446 1 6 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.272 -0.578 17894 1447 1 6 . 1 1 24 24 LEU H H 24 7.448 7.448 7.972 -0.524 17894 1448 1 6 . 1 1 25 25 GLU N N 25 114.895 114.895 113.630 1.265 17894 1449 1 6 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.042 -0.077 17894 1450 1 6 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.243 0.805 17894 1451 1 6 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.637 0.255 17894 1452 1 6 . 1 1 25 25 GLU H H 25 8.028 8.028 7.893 0.135 17894 1453 1 6 . 1 1 26 26 VAL N N 26 109.697 109.697 112.837 -3.140 17894 1454 1 6 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.486 0.387 17894 1455 1 6 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.981 -0.800 17894 1456 1 6 . 1 1 26 26 VAL H H 26 7.990 7.990 7.757 0.233 17894 1457 1 6 . 1 1 27 27 SER N N 27 114.369 114.369 117.215 -2.846 17894 1458 1 6 . 1 1 27 27 SER HA H 27 4.643 4.643 4.441 0.202 17894 1459 1 6 . 1 1 27 27 SER CA C 27 57.345 57.345 58.684 -1.339 17894 1460 1 6 . 1 1 27 27 SER CB C 27 63.110 63.110 64.019 -0.909 17894 1461 1 6 . 1 1 27 27 SER H H 27 8.633 8.633 8.421 0.212 17894 1462 1 6 . 1 1 28 28 ARG N N 28 115.276 115.276 126.284 -11.008 17894 1463 1 6 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.976 -0.248 17894 1464 1 6 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.244 0.514 17894 1465 1 6 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.980 -0.030 17894 1466 1 6 . 1 1 28 28 ARG H H 28 8.236 8.236 9.002 -0.766 17894 1467 1 6 . 1 1 29 29 GLN N N 29 117.309 117.309 116.217 1.092 17894 1468 1 6 . 1 1 29 29 GLN HA H 29 4.153 4.153 3.990 0.163 17894 1469 1 6 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.026 0.987 17894 1470 1 6 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.679 0.789 17894 1471 1 6 . 1 1 29 29 GLN H H 29 8.835 8.835 8.843 -0.008 17894 1472 1 6 . 1 1 30 30 THR N N 30 119.984 119.984 115.482 4.502 17894 1473 1 6 . 1 1 30 30 THR HA H 30 4.418 4.418 4.018 0.400 17894 1474 1 6 . 1 1 30 30 THR CA C 30 68.600 68.600 65.176 3.424 17894 1475 1 6 . 1 1 30 30 THR CB C 30 67.556 67.556 68.504 -0.948 17894 1476 1 6 . 1 1 30 30 THR H H 30 8.136 8.136 7.416 0.720 17894 1477 1 6 . 1 1 31 31 ILE N N 31 118.828 118.828 122.454 -3.626 17894 1478 1 6 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.771 0.014 17894 1479 1 6 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.530 -1.601 17894 1480 1 6 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.947 -0.970 17894 1481 1 6 . 1 1 31 31 ILE H H 31 7.162 7.162 7.635 -0.473 17894 1482 1 6 . 1 1 32 32 ASN N N 32 118.028 118.028 118.237 -0.209 17894 1483 1 6 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.477 -0.147 17894 1484 1 6 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.703 2.492 17894 1485 1 6 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.803 2.342 17894 1486 1 6 . 1 1 32 32 ASN H H 32 8.668 8.668 8.991 -0.323 17894 1487 1 6 . 1 1 33 33 GLY N N 33 124.941 124.941 109.272 15.669 17894 1488 1 6 . 1 1 33 33 GLY H H 33 8.656 8.656 8.181 0.475 17894 1489 1 6 . 1 1 34 34 ILE N N 34 122.198 122.198 121.884 0.314 17894 1490 1 6 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.729 0.555 17894 1491 1 6 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.534 1.006 17894 1492 1 6 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.072 1.114 17894 1493 1 6 . 1 1 34 34 ILE H H 34 8.205 8.205 8.141 0.064 17894 1494 1 6 . 1 1 35 35 GLU N N 35 120.651 120.651 117.168 3.483 17894 1495 1 6 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.268 -0.055 17894 1496 1 6 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.728 1.864 17894 1497 1 6 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.714 0.038 17894 1498 1 6 . 1 1 35 35 GLU H H 35 8.592 8.592 7.842 0.750 17894 1499 1 6 . 1 1 36 36 LYS N N 36 115.995 115.995 118.902 -2.907 17894 1500 1 6 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.025 0.477 17894 1501 1 6 . 1 1 36 36 LYS CA C 36 56.284 56.284 59.096 -2.812 17894 1502 1 6 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.975 -0.136 17894 1503 1 6 . 1 1 36 36 LYS H H 36 8.111 8.111 8.173 -0.062 17894 1504 1 6 . 1 1 37 37 ASN N N 37 114.563 114.563 110.087 4.476 17894 1505 1 6 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.671 0.077 17894 1506 1 6 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.453 2.235 17894 1507 1 6 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.630 -1.826 17894 1508 1 6 . 1 1 37 37 ASN H H 37 8.223 8.223 8.244 -0.021 17894 1509 1 6 . 1 1 38 38 LYS N N 38 115.051 115.051 122.362 -7.311 17894 1510 1 6 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.902 0.519 17894 1511 1 6 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.219 0.777 17894 1512 1 6 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.132 1.004 17894 1513 1 6 . 1 1 38 38 LYS H H 38 8.734 8.734 8.127 0.607 17894 1514 1 6 . 1 1 39 39 TYR N N 39 116.976 116.976 118.475 -1.499 17894 1515 1 6 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.427 0.182 17894 1516 1 6 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.613 -0.236 17894 1517 1 6 . 1 1 39 39 TYR H H 39 7.089 7.089 7.160 -0.071 17894 1518 1 6 . 1 1 40 40 ASN N N 40 123.607 123.607 119.189 4.418 17894 1519 1 6 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.527 0.849 17894 1520 1 6 . 1 1 40 40 ASN H H 40 8.862 8.862 8.423 0.439 17894 1521 1 6 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.455 -0.666 17894 1522 1 6 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.774 0.696 17894 1523 1 6 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.085 0.376 17894 1524 1 6 . 1 1 42 42 SER N N 42 125.650 125.650 114.433 11.217 17894 1525 1 6 . 1 1 42 42 SER HA H 42 4.556 4.556 4.324 0.232 17894 1526 1 6 . 1 1 42 42 SER CA C 42 58.198 58.198 57.758 0.440 17894 1527 1 6 . 1 1 42 42 SER H H 42 8.056 8.056 8.269 -0.213 17894 1528 1 6 . 1 1 43 43 LEU N N 43 120.689 120.689 124.889 -4.200 17894 1529 1 6 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.908 0.005 17894 1530 1 6 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.541 0.704 17894 1531 1 6 . 1 1 43 43 LEU H H 43 9.296 9.296 8.647 0.649 17894 1532 1 6 . 1 1 44 44 GLN N N 44 115.960 115.960 119.768 -3.808 17894 1533 1 6 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.113 -0.416 17894 1534 1 6 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.798 2.074 17894 1535 1 6 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.456 0.694 17894 1536 1 6 . 1 1 44 44 GLN H H 44 8.915 8.915 8.476 0.439 17894 1537 1 6 . 1 1 45 45 LEU N N 45 119.431 119.431 120.291 -0.860 17894 1538 1 6 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.111 -0.219 17894 1539 1 6 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.727 -2.203 17894 1540 1 6 . 1 1 45 45 LEU H H 45 8.093 8.093 8.064 0.029 17894 1541 1 6 . 1 1 46 46 ALA N N 46 120.497 120.497 122.353 -1.856 17894 1542 1 6 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.994 0.040 17894 1543 1 6 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.315 1.186 17894 1544 1 6 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.133 2.520 17894 1545 1 6 . 1 1 46 46 ALA H H 46 8.512 8.512 8.698 -0.186 17894 1546 1 6 . 1 1 47 47 LEU N N 47 116.461 116.461 118.601 -2.140 17894 1547 1 6 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.903 0.311 17894 1548 1 6 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.122 0.279 17894 1549 1 6 . 1 1 47 47 LEU H H 47 8.675 8.675 8.647 0.028 17894 1550 1 6 . 1 1 48 48 LYS N N 48 120.970 120.970 120.171 0.799 17894 1551 1 6 . 1 1 48 48 LYS HA H 48 3.580 3.580 3.978 -0.398 17894 1552 1 6 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.953 0.774 17894 1553 1 6 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.410 0.758 17894 1554 1 6 . 1 1 48 48 LYS H H 48 8.053 8.053 7.828 0.225 17894 1555 1 6 . 1 1 49 49 ILE N N 49 120.407 120.407 120.465 -0.058 17894 1556 1 6 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.812 -0.214 17894 1557 1 6 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.652 2.450 17894 1558 1 6 . 1 1 49 49 ILE H H 49 8.783 8.783 8.417 0.366 17894 1559 1 6 . 1 1 50 50 ALA N N 50 120.445 120.445 123.317 -2.872 17894 1560 1 6 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.047 0.023 17894 1561 1 6 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.321 1.079 17894 1562 1 6 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.320 0.585 17894 1563 1 6 . 1 1 50 50 ALA H H 50 8.182 8.182 8.451 -0.269 17894 1564 1 6 . 1 1 51 51 TYR N N 51 117.070 117.070 118.447 -1.377 17894 1565 1 6 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.116 0.237 17894 1566 1 6 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.066 0.288 17894 1567 1 6 . 1 1 51 51 TYR H H 51 8.170 8.170 8.830 -0.660 17894 1568 1 6 . 1 1 52 52 TYR N N 52 118.548 118.548 115.801 2.747 17894 1569 1 6 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.364 -0.060 17894 1570 1 6 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.949 2.859 17894 1571 1 6 . 1 1 52 52 TYR H H 52 9.079 9.079 8.325 0.754 17894 1572 1 6 . 1 1 53 53 LEU N N 53 115.427 115.427 118.026 -2.599 17894 1573 1 6 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.182 0.354 17894 1574 1 6 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.425 -1.381 17894 1575 1 6 . 1 1 53 53 LEU H H 53 8.417 8.417 8.427 -0.010 17894 1576 1 6 . 1 1 54 54 ASN N N 54 122.105 122.105 116.649 5.456 17894 1577 1 6 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.382 0.067 17894 1578 1 6 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.414 0.277 17894 1579 1 6 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.806 1.825 17894 1580 1 6 . 1 1 54 54 ASN H H 54 8.090 8.090 8.690 -0.600 17894 1581 1 6 . 1 1 55 55 THR N N 55 114.929 114.929 115.085 -0.156 17894 1582 1 6 . 1 1 55 55 THR HA H 55 4.933 4.933 4.607 0.326 17894 1583 1 6 . 1 1 55 55 THR CA C 55 60.962 60.962 59.985 0.977 17894 1584 1 6 . 1 1 55 55 THR CB C 55 75.743 75.743 71.070 4.673 17894 1585 1 6 . 1 1 55 55 THR H H 55 8.255 8.255 7.646 0.609 17894 1586 1 6 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.583 0.013 17894 1587 1 6 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.536 1.068 17894 1588 1 6 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.381 0.538 17894 1589 1 6 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.118 -0.048 17894 1590 1 6 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.738 1.884 17894 1591 1 6 . 1 1 58 58 GLU N N 58 123.143 123.143 117.791 5.352 17894 1592 1 6 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.325 0.549 17894 1593 1 6 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.205 0.294 17894 1594 1 6 . 1 1 58 58 GLU H H 58 9.365 9.365 8.620 0.745 17894 1595 1 6 . 1 1 59 59 ASP N N 59 117.681 117.681 117.376 0.305 17894 1596 1 6 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.419 0.204 17894 1597 1 6 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.581 -0.119 17894 1598 1 6 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.793 0.098 17894 1599 1 6 . 1 1 59 59 ASP H H 59 8.014 8.014 7.658 0.356 17894 1600 1 6 . 1 1 60 60 ILE N N 60 119.519 119.519 112.611 6.908 17894 1601 1 6 . 1 1 60 60 ILE H H 60 8.209 8.209 7.154 1.055 17894 1602 1 6 . 1 1 61 61 PHE N N 61 115.960 115.960 119.093 -3.133 17894 1603 1 6 . 1 1 61 61 PHE H H 61 8.532 8.532 8.354 0.178 17894 1604 1 6 . 1 1 62 62 GLN N N 62 116.724 116.724 122.147 -5.423 17894 1605 1 6 . 1 1 62 62 GLN H H 62 8.752 8.752 8.442 0.310 17894 1606 1 6 . 1 1 63 63 TRP N N 63 125.611 125.611 125.187 0.424 17894 1607 1 6 . 1 1 63 63 TRP H H 63 9.476 9.476 8.844 0.632 17894 1608 1 6 . 1 1 64 64 GLN N N 64 127.087 127.087 128.052 -0.965 17894 1609 1 6 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.856 -0.677 17894 1610 1 6 . 1 1 64 64 GLN CA C 64 52.402 52.402 56.033 -3.631 17894 1611 1 6 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.923 3.650 17894 1612 1 6 . 1 1 64 64 GLN H H 64 7.989 7.989 8.880 -0.891 17894 1613 1 6 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.508 0.174 17894 1614 1 6 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.061 -0.547 17894 1615 1 7 . 1 1 2 2 ILE N N 2 123.202 123.202 118.848 4.354 17894 1616 1 7 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.915 0.117 17894 1617 1 7 . 1 1 2 2 ILE H H 2 9.148 9.148 7.958 1.190 17894 1618 1 7 . 1 1 3 3 ILE N N 3 108.681 108.681 112.882 -4.201 17894 1619 1 7 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.834 0.596 17894 1620 1 7 . 1 1 3 3 ILE CA C 3 60.911 60.911 62.153 -1.242 17894 1621 1 7 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.748 2.808 17894 1622 1 7 . 1 1 3 3 ILE H H 3 9.416 9.416 8.058 1.358 17894 1623 1 7 . 1 1 4 4 ASN N N 4 123.966 123.966 123.724 0.242 17894 1624 1 7 . 1 1 4 4 ASN H H 4 9.081 9.081 8.903 0.178 17894 1625 1 7 . 1 1 5 5 ASN N N 5 120.745 120.745 124.071 -3.326 17894 1626 1 7 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.731 0.698 17894 1627 1 7 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.824 -0.468 17894 1628 1 7 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.619 4.094 17894 1629 1 7 . 1 1 5 5 ASN H H 5 9.369 9.369 8.535 0.834 17894 1630 1 7 . 1 1 6 6 LEU N N 6 120.594 120.594 123.574 -2.980 17894 1631 1 7 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.942 -0.176 17894 1632 1 7 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.501 2.098 17894 1633 1 7 . 1 1 6 6 LEU H H 6 8.538 8.538 8.459 0.079 17894 1634 1 7 . 1 1 7 7 LYS N N 7 118.177 118.177 118.764 -0.587 17894 1635 1 7 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.980 -0.072 17894 1636 1 7 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.069 2.237 17894 1637 1 7 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.528 2.675 17894 1638 1 7 . 1 1 7 7 LYS H H 7 8.940 8.940 8.123 0.817 17894 1639 1 7 . 1 1 8 8 LEU N N 8 116.356 116.356 120.262 -3.906 17894 1640 1 7 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.102 0.070 17894 1641 1 7 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.873 1.417 17894 1642 1 7 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.589 2.340 17894 1643 1 7 . 1 1 8 8 LEU H H 8 7.687 7.687 7.473 0.214 17894 1644 1 7 . 1 1 9 9 ILE N N 9 119.134 119.134 119.437 -0.303 17894 1645 1 7 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.542 0.271 17894 1646 1 7 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.873 -2.015 17894 1647 1 7 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.596 0.234 17894 1648 1 7 . 1 1 9 9 ILE H H 9 8.225 8.225 7.458 0.767 17894 1649 1 7 . 1 1 10 10 ARG N N 10 120.162 120.162 120.579 -0.417 17894 1650 1 7 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.833 0.046 17894 1651 1 7 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.878 1.790 17894 1652 1 7 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.051 -0.652 17894 1653 1 7 . 1 1 10 10 ARG H H 10 9.259 9.259 8.608 0.651 17894 1654 1 7 . 1 1 11 11 GLU N N 11 115.878 115.878 119.824 -3.946 17894 1655 1 7 . 1 1 11 11 GLU HA H 11 4.172 4.172 3.952 0.220 17894 1656 1 7 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.637 0.649 17894 1657 1 7 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.270 0.544 17894 1658 1 7 . 1 1 11 11 GLU H H 11 8.703 8.703 8.932 -0.229 17894 1659 1 7 . 1 1 12 12 LYS N N 12 122.935 122.935 120.621 2.314 17894 1660 1 7 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.967 0.239 17894 1661 1 7 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.384 0.891 17894 1662 1 7 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.568 0.330 17894 1663 1 7 . 1 1 12 12 LYS H H 12 8.256 8.256 8.532 -0.276 17894 1664 1 7 . 1 1 13 13 LYS N N 13 116.350 116.350 116.073 0.277 17894 1665 1 7 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.325 -0.029 17894 1666 1 7 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.623 0.308 17894 1667 1 7 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.698 -0.249 17894 1668 1 7 . 1 1 13 13 LYS H H 13 7.813 7.813 7.631 0.182 17894 1669 1 7 . 1 1 14 14 LYS N N 14 115.317 115.317 116.288 -0.971 17894 1670 1 7 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.995 -0.032 17894 1671 1 7 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.741 1.047 17894 1672 1 7 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.908 -0.860 17894 1673 1 7 . 1 1 14 14 LYS H H 14 8.068 8.068 7.303 0.765 17894 1674 1 7 . 1 1 15 15 ILE N N 15 118.373 118.373 119.468 -1.095 17894 1675 1 7 . 1 1 15 15 ILE HA H 15 4.612 4.612 3.951 0.661 17894 1676 1 7 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.376 0.682 17894 1677 1 7 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.793 4.003 17894 1678 1 7 . 1 1 15 15 ILE H H 15 7.573 7.573 8.490 -0.917 17894 1679 1 7 . 1 1 16 16 SER N N 16 125.057 125.057 122.657 2.400 17894 1680 1 7 . 1 1 16 16 SER HA H 16 4.566 4.566 4.551 0.015 17894 1681 1 7 . 1 1 16 16 SER CA C 16 57.781 57.781 58.202 -0.421 17894 1682 1 7 . 1 1 16 16 SER H H 16 9.457 9.457 9.368 0.089 17894 1683 1 7 . 1 1 17 17 GLN N N 17 120.197 120.197 124.589 -4.392 17894 1684 1 7 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.081 -0.303 17894 1685 1 7 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.316 3.346 17894 1686 1 7 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.379 1.282 17894 1687 1 7 . 1 1 17 17 GLN H H 17 9.544 9.544 9.007 0.537 17894 1688 1 7 . 1 1 18 18 SER N N 18 112.998 112.998 114.607 -1.609 17894 1689 1 7 . 1 1 18 18 SER H H 18 8.985 8.985 8.599 0.386 17894 1690 1 7 . 1 1 19 19 GLU N N 19 124.112 124.112 122.151 1.961 17894 1691 1 7 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.095 0.011 17894 1692 1 7 . 1 1 19 19 GLU CA C 19 59.513 59.513 59.124 0.389 17894 1693 1 7 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.025 1.414 17894 1694 1 7 . 1 1 19 19 GLU H H 19 8.349 8.349 8.337 0.012 17894 1695 1 7 . 1 1 20 20 LEU N N 20 119.955 119.955 117.921 2.034 17894 1696 1 7 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.124 0.002 17894 1697 1 7 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.396 0.996 17894 1698 1 7 . 1 1 20 20 LEU H H 20 8.321 8.321 7.496 0.825 17894 1699 1 7 . 1 1 21 21 ALA N N 21 119.830 119.830 123.044 -3.214 17894 1700 1 7 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.855 -0.146 17894 1701 1 7 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.127 1.145 17894 1702 1 7 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.919 -0.184 17894 1703 1 7 . 1 1 21 21 ALA H H 21 8.595 8.595 7.800 0.795 17894 1704 1 7 . 1 1 22 22 ALA N N 22 117.258 117.258 121.067 -3.809 17894 1705 1 7 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.957 0.306 17894 1706 1 7 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.744 0.765 17894 1707 1 7 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.493 0.037 17894 1708 1 7 . 1 1 22 22 ALA H H 22 7.818 7.818 7.613 0.205 17894 1709 1 7 . 1 1 23 23 LEU N N 23 118.586 118.586 118.208 0.378 17894 1710 1 7 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.550 0.410 17894 1711 1 7 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.979 1.021 17894 1712 1 7 . 1 1 23 23 LEU H H 23 7.537 7.537 7.790 -0.253 17894 1713 1 7 . 1 1 24 24 LEU N N 24 114.488 114.488 114.324 0.164 17894 1714 1 7 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.027 0.236 17894 1715 1 7 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.259 -0.565 17894 1716 1 7 . 1 1 24 24 LEU H H 24 7.448 7.448 8.095 -0.647 17894 1717 1 7 . 1 1 25 25 GLU N N 25 114.895 114.895 112.405 2.490 17894 1718 1 7 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.966 -0.001 17894 1719 1 7 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.221 0.827 17894 1720 1 7 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.670 0.223 17894 1721 1 7 . 1 1 25 25 GLU H H 25 8.028 8.028 7.831 0.197 17894 1722 1 7 . 1 1 26 26 VAL N N 26 109.697 109.697 113.129 -3.432 17894 1723 1 7 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.537 0.336 17894 1724 1 7 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.285 -0.104 17894 1725 1 7 . 1 1 26 26 VAL H H 26 7.990 7.990 7.579 0.411 17894 1726 1 7 . 1 1 27 27 SER N N 27 114.369 114.369 116.323 -1.954 17894 1727 1 7 . 1 1 27 27 SER HA H 27 4.643 4.643 4.527 0.116 17894 1728 1 7 . 1 1 27 27 SER CA C 27 57.345 57.345 58.275 -0.930 17894 1729 1 7 . 1 1 27 27 SER CB C 27 63.110 63.110 64.021 -0.911 17894 1730 1 7 . 1 1 27 27 SER H H 27 8.633 8.633 8.493 0.140 17894 1731 1 7 . 1 1 28 28 ARG N N 28 115.276 115.276 126.349 -11.073 17894 1732 1 7 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.902 -0.174 17894 1733 1 7 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.354 0.404 17894 1734 1 7 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.178 -0.228 17894 1735 1 7 . 1 1 28 28 ARG H H 28 8.236 8.236 8.986 -0.750 17894 1736 1 7 . 1 1 29 29 GLN N N 29 117.309 117.309 116.923 0.386 17894 1737 1 7 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.128 0.025 17894 1738 1 7 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.954 1.059 17894 1739 1 7 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.280 1.188 17894 1740 1 7 . 1 1 29 29 GLN H H 29 8.835 8.835 8.758 0.077 17894 1741 1 7 . 1 1 30 30 THR N N 30 119.984 119.984 116.378 3.606 17894 1742 1 7 . 1 1 30 30 THR HA H 30 4.418 4.418 4.045 0.373 17894 1743 1 7 . 1 1 30 30 THR CA C 30 68.600 68.600 66.027 2.573 17894 1744 1 7 . 1 1 30 30 THR CB C 30 67.556 67.556 68.382 -0.826 17894 1745 1 7 . 1 1 30 30 THR H H 30 8.136 8.136 7.362 0.774 17894 1746 1 7 . 1 1 31 31 ILE N N 31 118.828 118.828 121.164 -2.336 17894 1747 1 7 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.793 -0.008 17894 1748 1 7 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.697 -1.768 17894 1749 1 7 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.961 -0.984 17894 1750 1 7 . 1 1 31 31 ILE H H 31 7.162 7.162 8.016 -0.854 17894 1751 1 7 . 1 1 32 32 ASN N N 32 118.028 118.028 116.735 1.293 17894 1752 1 7 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.804 -0.474 17894 1753 1 7 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.705 3.490 17894 1754 1 7 . 1 1 32 32 ASN CB C 32 40.145 40.145 38.345 1.800 17894 1755 1 7 . 1 1 32 32 ASN H H 32 8.668 8.668 8.592 0.076 17894 1756 1 7 . 1 1 33 33 GLY N N 33 124.941 124.941 109.649 15.292 17894 1757 1 7 . 1 1 33 33 GLY H H 33 8.656 8.656 7.435 1.221 17894 1758 1 7 . 1 1 34 34 ILE N N 34 122.198 122.198 122.579 -0.381 17894 1759 1 7 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.497 0.787 17894 1760 1 7 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.975 0.565 17894 1761 1 7 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.005 1.181 17894 1762 1 7 . 1 1 34 34 ILE H H 34 8.205 8.205 8.253 -0.048 17894 1763 1 7 . 1 1 35 35 GLU N N 35 120.651 120.651 119.267 1.384 17894 1764 1 7 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.210 0.003 17894 1765 1 7 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.843 1.749 17894 1766 1 7 . 1 1 35 35 GLU CB C 35 29.752 29.752 28.920 0.832 17894 1767 1 7 . 1 1 35 35 GLU H H 35 8.592 8.592 7.985 0.607 17894 1768 1 7 . 1 1 36 36 LYS N N 36 115.995 115.995 118.276 -2.281 17894 1769 1 7 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.086 0.416 17894 1770 1 7 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.776 -1.492 17894 1771 1 7 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.633 0.206 17894 1772 1 7 . 1 1 36 36 LYS H H 36 8.111 8.111 7.736 0.375 17894 1773 1 7 . 1 1 37 37 ASN N N 37 114.563 114.563 111.171 3.392 17894 1774 1 7 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.646 0.102 17894 1775 1 7 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.053 2.635 17894 1776 1 7 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.464 0.340 17894 1777 1 7 . 1 1 37 37 ASN H H 37 8.223 8.223 7.897 0.326 17894 1778 1 7 . 1 1 38 38 LYS N N 38 115.051 115.051 120.246 -5.195 17894 1779 1 7 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.455 -0.034 17894 1780 1 7 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.511 2.485 17894 1781 1 7 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.715 0.421 17894 1782 1 7 . 1 1 38 38 LYS H H 38 8.734 8.734 7.970 0.764 17894 1783 1 7 . 1 1 39 39 TYR N N 39 116.976 116.976 118.280 -1.304 17894 1784 1 7 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.494 0.115 17894 1785 1 7 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.752 -0.375 17894 1786 1 7 . 1 1 39 39 TYR H H 39 7.089 7.089 7.118 -0.029 17894 1787 1 7 . 1 1 40 40 ASN N N 40 123.607 123.607 120.185 3.422 17894 1788 1 7 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.691 0.685 17894 1789 1 7 . 1 1 40 40 ASN H H 40 8.862 8.862 8.419 0.443 17894 1790 1 7 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.445 -0.656 17894 1791 1 7 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.575 0.895 17894 1792 1 7 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.446 0.015 17894 1793 1 7 . 1 1 42 42 SER N N 42 125.650 125.650 115.002 10.648 17894 1794 1 7 . 1 1 42 42 SER HA H 42 4.556 4.556 4.244 0.312 17894 1795 1 7 . 1 1 42 42 SER CA C 42 58.198 58.198 58.443 -0.245 17894 1796 1 7 . 1 1 42 42 SER H H 42 8.056 8.056 8.164 -0.108 17894 1797 1 7 . 1 1 43 43 LEU N N 43 120.689 120.689 124.889 -4.200 17894 1798 1 7 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.039 -0.126 17894 1799 1 7 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.768 0.477 17894 1800 1 7 . 1 1 43 43 LEU H H 43 9.296 9.296 8.760 0.536 17894 1801 1 7 . 1 1 44 44 GLN N N 44 115.960 115.960 119.707 -3.747 17894 1802 1 7 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.185 -0.488 17894 1803 1 7 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.105 1.767 17894 1804 1 7 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.477 0.673 17894 1805 1 7 . 1 1 44 44 GLN H H 44 8.915 8.915 8.593 0.322 17894 1806 1 7 . 1 1 45 45 LEU N N 45 119.431 119.431 120.385 -0.954 17894 1807 1 7 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.144 -0.252 17894 1808 1 7 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.933 -2.409 17894 1809 1 7 . 1 1 45 45 LEU H H 45 8.093 8.093 8.106 -0.013 17894 1810 1 7 . 1 1 46 46 ALA N N 46 120.497 120.497 122.743 -2.246 17894 1811 1 7 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.259 -0.225 17894 1812 1 7 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.600 0.901 17894 1813 1 7 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.394 2.259 17894 1814 1 7 . 1 1 46 46 ALA H H 46 8.512 8.512 8.799 -0.287 17894 1815 1 7 . 1 1 47 47 LEU N N 47 116.461 116.461 119.061 -2.600 17894 1816 1 7 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.918 0.296 17894 1817 1 7 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.338 0.063 17894 1818 1 7 . 1 1 47 47 LEU H H 47 8.675 8.675 8.942 -0.267 17894 1819 1 7 . 1 1 48 48 LYS N N 48 120.970 120.970 120.347 0.623 17894 1820 1 7 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.067 -0.487 17894 1821 1 7 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.084 0.643 17894 1822 1 7 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.545 0.623 17894 1823 1 7 . 1 1 48 48 LYS H H 48 8.053 8.053 8.412 -0.359 17894 1824 1 7 . 1 1 49 49 ILE N N 49 120.407 120.407 120.568 -0.161 17894 1825 1 7 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.784 -0.186 17894 1826 1 7 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.083 3.019 17894 1827 1 7 . 1 1 49 49 ILE H H 49 8.783 8.783 8.673 0.110 17894 1828 1 7 . 1 1 50 50 ALA N N 50 120.445 120.445 123.427 -2.982 17894 1829 1 7 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.052 0.018 17894 1830 1 7 . 1 1 50 50 ALA CA C 50 56.400 56.400 54.947 1.453 17894 1831 1 7 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.333 0.572 17894 1832 1 7 . 1 1 50 50 ALA H H 50 8.182 8.182 8.688 -0.506 17894 1833 1 7 . 1 1 51 51 TYR N N 51 117.070 117.070 117.895 -0.825 17894 1834 1 7 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.098 0.255 17894 1835 1 7 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.019 0.334 17894 1836 1 7 . 1 1 51 51 TYR H H 51 8.170 8.170 8.700 -0.530 17894 1837 1 7 . 1 1 52 52 TYR N N 52 118.548 118.548 116.639 1.909 17894 1838 1 7 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.317 -0.013 17894 1839 1 7 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.117 2.691 17894 1840 1 7 . 1 1 52 52 TYR H H 52 9.079 9.079 8.369 0.710 17894 1841 1 7 . 1 1 53 53 LEU N N 53 115.427 115.427 117.811 -2.384 17894 1842 1 7 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.200 0.336 17894 1843 1 7 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.614 -0.570 17894 1844 1 7 . 1 1 53 53 LEU H H 53 8.417 8.417 8.112 0.305 17894 1845 1 7 . 1 1 54 54 ASN N N 54 122.105 122.105 117.342 4.763 17894 1846 1 7 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.406 0.043 17894 1847 1 7 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.059 0.632 17894 1848 1 7 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.052 1.579 17894 1849 1 7 . 1 1 54 54 ASN H H 54 8.090 8.090 8.481 -0.391 17894 1850 1 7 . 1 1 55 55 THR N N 55 114.929 114.929 115.737 -0.808 17894 1851 1 7 . 1 1 55 55 THR HA H 55 4.933 4.933 4.631 0.302 17894 1852 1 7 . 1 1 55 55 THR CA C 55 60.962 60.962 60.039 0.923 17894 1853 1 7 . 1 1 55 55 THR CB C 55 75.743 75.743 71.993 3.750 17894 1854 1 7 . 1 1 55 55 THR H H 55 8.255 8.255 8.039 0.216 17894 1855 1 7 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.324 0.272 17894 1856 1 7 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.653 0.951 17894 1857 1 7 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.183 0.736 17894 1858 1 7 . 1 1 57 57 LEU HA H 57 4.070 4.070 3.955 0.115 17894 1859 1 7 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.460 2.162 17894 1860 1 7 . 1 1 58 58 GLU N N 58 123.143 123.143 118.570 4.573 17894 1861 1 7 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.141 0.733 17894 1862 1 7 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.380 0.119 17894 1863 1 7 . 1 1 58 58 GLU H H 58 9.365 9.365 8.560 0.805 17894 1864 1 7 . 1 1 59 59 ASP N N 59 117.681 117.681 118.917 -1.236 17894 1865 1 7 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.362 0.261 17894 1866 1 7 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.525 -0.063 17894 1867 1 7 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.703 0.188 17894 1868 1 7 . 1 1 59 59 ASP H H 59 8.014 8.014 7.388 0.626 17894 1869 1 7 . 1 1 60 60 ILE N N 60 119.519 119.519 113.145 6.374 17894 1870 1 7 . 1 1 60 60 ILE H H 60 8.209 8.209 7.220 0.989 17894 1871 1 7 . 1 1 61 61 PHE N N 61 115.960 115.960 119.230 -3.270 17894 1872 1 7 . 1 1 61 61 PHE H H 61 8.532 8.532 8.277 0.255 17894 1873 1 7 . 1 1 62 62 GLN N N 62 116.724 116.724 121.268 -4.544 17894 1874 1 7 . 1 1 62 62 GLN H H 62 8.752 8.752 8.060 0.692 17894 1875 1 7 . 1 1 63 63 TRP N N 63 125.611 125.611 120.356 5.255 17894 1876 1 7 . 1 1 63 63 TRP H H 63 9.476 9.476 8.399 1.077 17894 1877 1 7 . 1 1 64 64 GLN N N 64 127.087 127.087 124.503 2.584 17894 1878 1 7 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.881 -0.702 17894 1879 1 7 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.945 -0.543 17894 1880 1 7 . 1 1 64 64 GLN CB C 64 31.573 31.573 30.601 0.972 17894 1881 1 7 . 1 1 64 64 GLN H H 64 7.989 7.989 9.197 -1.208 17894 1882 1 7 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.119 0.563 17894 1883 1 7 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.318 -1.804 17894 1884 1 8 . 1 1 2 2 ILE N N 2 123.202 123.202 120.521 2.681 17894 1885 1 8 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.093 -0.061 17894 1886 1 8 . 1 1 2 2 ILE H H 2 9.148 9.148 7.871 1.277 17894 1887 1 8 . 1 1 3 3 ILE N N 3 108.681 108.681 126.869 -18.188 17894 1888 1 8 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.231 0.199 17894 1889 1 8 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.560 1.351 17894 1890 1 8 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.617 1.938 17894 1891 1 8 . 1 1 3 3 ILE H H 3 9.416 9.416 8.237 1.179 17894 1892 1 8 . 1 1 4 4 ASN N N 4 123.966 123.966 125.721 -1.755 17894 1893 1 8 . 1 1 4 4 ASN H H 4 9.081 9.081 8.981 0.100 17894 1894 1 8 . 1 1 5 5 ASN N N 5 120.745 120.745 118.172 2.573 17894 1895 1 8 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.464 0.965 17894 1896 1 8 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.838 -0.482 17894 1897 1 8 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.935 3.778 17894 1898 1 8 . 1 1 5 5 ASN H H 5 9.369 9.369 7.596 1.773 17894 1899 1 8 . 1 1 6 6 LEU N N 6 120.594 120.594 122.682 -2.088 17894 1900 1 8 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.851 -0.085 17894 1901 1 8 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.189 2.410 17894 1902 1 8 . 1 1 6 6 LEU H H 6 8.538 8.538 7.242 1.296 17894 1903 1 8 . 1 1 7 7 LYS N N 7 118.177 118.177 117.970 0.207 17894 1904 1 8 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.027 -0.119 17894 1905 1 8 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.123 2.183 17894 1906 1 8 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.140 2.063 17894 1907 1 8 . 1 1 7 7 LYS H H 7 8.940 8.940 7.607 1.333 17894 1908 1 8 . 1 1 8 8 LEU N N 8 116.356 116.356 120.026 -3.670 17894 1909 1 8 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.124 0.048 17894 1910 1 8 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.291 0.999 17894 1911 1 8 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.593 2.335 17894 1912 1 8 . 1 1 8 8 LEU H H 8 7.687 7.687 7.443 0.244 17894 1913 1 8 . 1 1 9 9 ILE N N 9 119.134 119.134 118.631 0.503 17894 1914 1 8 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.680 0.133 17894 1915 1 8 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.218 -0.359 17894 1916 1 8 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.372 0.458 17894 1917 1 8 . 1 1 9 9 ILE H H 9 8.225 8.225 7.307 0.918 17894 1918 1 8 . 1 1 10 10 ARG N N 10 120.162 120.162 121.075 -0.913 17894 1919 1 8 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.905 -0.026 17894 1920 1 8 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.454 2.214 17894 1921 1 8 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.050 -0.651 17894 1922 1 8 . 1 1 10 10 ARG H H 10 9.259 9.259 8.871 0.388 17894 1923 1 8 . 1 1 11 11 GLU N N 11 115.878 115.878 118.518 -2.640 17894 1924 1 8 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.225 -0.053 17894 1925 1 8 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.742 1.544 17894 1926 1 8 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.833 0.981 17894 1927 1 8 . 1 1 11 11 GLU H H 11 8.703 8.703 8.937 -0.234 17894 1928 1 8 . 1 1 12 12 LYS N N 12 122.935 122.935 122.272 0.663 17894 1929 1 8 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.032 0.174 17894 1930 1 8 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.140 1.135 17894 1931 1 8 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.552 0.346 17894 1932 1 8 . 1 1 12 12 LYS H H 12 8.256 8.256 8.050 0.206 17894 1933 1 8 . 1 1 13 13 LYS N N 13 116.350 116.350 115.130 1.220 17894 1934 1 8 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.351 -0.055 17894 1935 1 8 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.950 -0.019 17894 1936 1 8 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.772 -0.323 17894 1937 1 8 . 1 1 13 13 LYS H H 13 7.813 7.813 7.648 0.165 17894 1938 1 8 . 1 1 14 14 LYS N N 14 115.317 115.317 117.383 -2.066 17894 1939 1 8 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.975 -0.012 17894 1940 1 8 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.804 0.984 17894 1941 1 8 . 1 1 14 14 LYS CB C 14 29.048 29.048 30.101 -1.053 17894 1942 1 8 . 1 1 14 14 LYS H H 14 8.068 8.068 7.370 0.698 17894 1943 1 8 . 1 1 15 15 ILE N N 15 118.373 118.373 120.535 -2.162 17894 1944 1 8 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.286 0.326 17894 1945 1 8 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.713 1.345 17894 1946 1 8 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.615 3.181 17894 1947 1 8 . 1 1 15 15 ILE H H 15 7.573 7.573 8.503 -0.930 17894 1948 1 8 . 1 1 16 16 SER N N 16 125.057 125.057 122.670 2.387 17894 1949 1 8 . 1 1 16 16 SER HA H 16 4.566 4.566 4.531 0.035 17894 1950 1 8 . 1 1 16 16 SER CA C 16 57.781 57.781 57.941 -0.160 17894 1951 1 8 . 1 1 16 16 SER H H 16 9.457 9.457 9.687 -0.230 17894 1952 1 8 . 1 1 17 17 GLN N N 17 120.197 120.197 121.444 -1.247 17894 1953 1 8 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.118 -0.340 17894 1954 1 8 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.192 3.470 17894 1955 1 8 . 1 1 17 17 GLN CB C 17 29.661 29.661 27.946 1.715 17894 1956 1 8 . 1 1 17 17 GLN H H 17 9.544 9.544 8.871 0.673 17894 1957 1 8 . 1 1 18 18 SER N N 18 112.998 112.998 117.143 -4.145 17894 1958 1 8 . 1 1 18 18 SER H H 18 8.985 8.985 8.220 0.765 17894 1959 1 8 . 1 1 19 19 GLU N N 19 124.112 124.112 121.779 2.333 17894 1960 1 8 . 1 1 19 19 GLU HA H 19 4.106 4.106 3.967 0.139 17894 1961 1 8 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.731 0.782 17894 1962 1 8 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.004 1.435 17894 1963 1 8 . 1 1 19 19 GLU H H 19 8.349 8.349 7.624 0.725 17894 1964 1 8 . 1 1 20 20 LEU N N 20 119.955 119.955 121.748 -1.793 17894 1965 1 8 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.967 0.159 17894 1966 1 8 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.990 0.402 17894 1967 1 8 . 1 1 20 20 LEU H H 20 8.321 8.321 7.438 0.883 17894 1968 1 8 . 1 1 21 21 ALA N N 21 119.830 119.830 121.041 -1.211 17894 1969 1 8 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.876 -0.167 17894 1970 1 8 . 1 1 21 21 ALA CA C 21 56.272 56.272 54.964 1.308 17894 1971 1 8 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.002 -0.267 17894 1972 1 8 . 1 1 21 21 ALA H H 21 8.595 8.595 7.862 0.733 17894 1973 1 8 . 1 1 22 22 ALA N N 22 117.258 117.258 121.014 -3.756 17894 1974 1 8 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.948 0.315 17894 1975 1 8 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.781 0.728 17894 1976 1 8 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.495 0.035 17894 1977 1 8 . 1 1 22 22 ALA H H 22 7.818 7.818 7.729 0.089 17894 1978 1 8 . 1 1 23 23 LEU N N 23 118.586 118.586 118.039 0.547 17894 1979 1 8 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.564 0.396 17894 1980 1 8 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.725 1.275 17894 1981 1 8 . 1 1 23 23 LEU H H 23 7.537 7.537 7.537 -0.000 17894 1982 1 8 . 1 1 24 24 LEU N N 24 114.488 114.488 114.485 0.003 17894 1983 1 8 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.172 0.091 17894 1984 1 8 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.937 -0.243 17894 1985 1 8 . 1 1 24 24 LEU H H 24 7.448 7.448 7.805 -0.357 17894 1986 1 8 . 1 1 25 25 GLU N N 25 114.895 114.895 112.782 2.113 17894 1987 1 8 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.004 -0.039 17894 1988 1 8 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.268 0.780 17894 1989 1 8 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.606 0.287 17894 1990 1 8 . 1 1 25 25 GLU H H 25 8.028 8.028 7.880 0.148 17894 1991 1 8 . 1 1 26 26 VAL N N 26 109.697 109.697 112.196 -2.499 17894 1992 1 8 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.427 0.446 17894 1993 1 8 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.393 -0.212 17894 1994 1 8 . 1 1 26 26 VAL H H 26 7.990 7.990 7.541 0.449 17894 1995 1 8 . 1 1 27 27 SER N N 27 114.369 114.369 116.582 -2.213 17894 1996 1 8 . 1 1 27 27 SER HA H 27 4.643 4.643 4.474 0.169 17894 1997 1 8 . 1 1 27 27 SER CA C 27 57.345 57.345 58.611 -1.266 17894 1998 1 8 . 1 1 27 27 SER CB C 27 63.110 63.110 64.006 -0.896 17894 1999 1 8 . 1 1 27 27 SER H H 27 8.633 8.633 8.515 0.118 17894 2000 1 8 . 1 1 28 28 ARG N N 28 115.276 115.276 125.649 -10.373 17894 2001 1 8 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.936 -0.208 17894 2002 1 8 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.173 0.585 17894 2003 1 8 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.210 -0.260 17894 2004 1 8 . 1 1 28 28 ARG H H 28 8.236 8.236 8.959 -0.723 17894 2005 1 8 . 1 1 29 29 GLN N N 29 117.309 117.309 115.851 1.458 17894 2006 1 8 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.104 0.049 17894 2007 1 8 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.077 0.936 17894 2008 1 8 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.386 1.082 17894 2009 1 8 . 1 1 29 29 GLN H H 29 8.835 8.835 8.867 -0.032 17894 2010 1 8 . 1 1 30 30 THR N N 30 119.984 119.984 114.907 5.077 17894 2011 1 8 . 1 1 30 30 THR HA H 30 4.418 4.418 4.026 0.392 17894 2012 1 8 . 1 1 30 30 THR CA C 30 68.600 68.600 65.559 3.041 17894 2013 1 8 . 1 1 30 30 THR CB C 30 67.556 67.556 68.245 -0.689 17894 2014 1 8 . 1 1 30 30 THR H H 30 8.136 8.136 7.373 0.763 17894 2015 1 8 . 1 1 31 31 ILE N N 31 118.828 118.828 122.572 -3.744 17894 2016 1 8 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.744 0.041 17894 2017 1 8 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.670 -1.741 17894 2018 1 8 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.764 -0.786 17894 2019 1 8 . 1 1 31 31 ILE H H 31 7.162 7.162 7.640 -0.478 17894 2020 1 8 . 1 1 32 32 ASN N N 32 118.028 118.028 118.919 -0.891 17894 2021 1 8 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.548 -0.218 17894 2022 1 8 . 1 1 32 32 ASN CA C 32 58.195 58.195 56.123 2.072 17894 2023 1 8 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.569 2.576 17894 2024 1 8 . 1 1 32 32 ASN H H 32 8.668 8.668 8.752 -0.084 17894 2025 1 8 . 1 1 33 33 GLY N N 33 124.941 124.941 109.001 15.940 17894 2026 1 8 . 1 1 33 33 GLY H H 33 8.656 8.656 8.268 0.388 17894 2027 1 8 . 1 1 34 34 ILE N N 34 122.198 122.198 122.370 -0.172 17894 2028 1 8 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.894 0.390 17894 2029 1 8 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.451 1.089 17894 2030 1 8 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.196 0.990 17894 2031 1 8 . 1 1 34 34 ILE H H 34 8.205 8.205 8.166 0.039 17894 2032 1 8 . 1 1 35 35 GLU N N 35 120.651 120.651 117.060 3.591 17894 2033 1 8 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.273 -0.060 17894 2034 1 8 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.505 2.087 17894 2035 1 8 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.835 -0.083 17894 2036 1 8 . 1 1 35 35 GLU H H 35 8.592 8.592 7.979 0.613 17894 2037 1 8 . 1 1 36 36 LYS N N 36 115.995 115.995 119.014 -3.019 17894 2038 1 8 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.021 0.481 17894 2039 1 8 . 1 1 36 36 LYS CA C 36 56.284 56.284 59.189 -2.905 17894 2040 1 8 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.014 -0.175 17894 2041 1 8 . 1 1 36 36 LYS H H 36 8.111 8.111 8.652 -0.541 17894 2042 1 8 . 1 1 37 37 ASN N N 37 114.563 114.563 111.121 3.442 17894 2043 1 8 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.703 0.045 17894 2044 1 8 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.523 2.165 17894 2045 1 8 . 1 1 37 37 ASN CB C 37 37.804 37.804 40.306 -2.502 17894 2046 1 8 . 1 1 37 37 ASN H H 37 8.223 8.223 8.364 -0.141 17894 2047 1 8 . 1 1 38 38 LYS N N 38 115.051 115.051 122.078 -7.027 17894 2048 1 8 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.029 0.392 17894 2049 1 8 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.241 0.755 17894 2050 1 8 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.225 0.911 17894 2051 1 8 . 1 1 38 38 LYS H H 38 8.734 8.734 8.199 0.535 17894 2052 1 8 . 1 1 39 39 TYR N N 39 116.976 116.976 120.953 -3.977 17894 2053 1 8 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.374 0.235 17894 2054 1 8 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.394 -1.017 17894 2055 1 8 . 1 1 39 39 TYR H H 39 7.089 7.089 7.741 -0.652 17894 2056 1 8 . 1 1 40 40 ASN N N 40 123.607 123.607 118.937 4.670 17894 2057 1 8 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.420 0.955 17894 2058 1 8 . 1 1 40 40 ASN H H 40 8.862 8.862 8.650 0.212 17894 2059 1 8 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.479 -0.690 17894 2060 1 8 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.446 1.024 17894 2061 1 8 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.295 0.166 17894 2062 1 8 . 1 1 42 42 SER N N 42 125.650 125.650 114.507 11.143 17894 2063 1 8 . 1 1 42 42 SER HA H 42 4.556 4.556 4.326 0.230 17894 2064 1 8 . 1 1 42 42 SER CA C 42 58.198 58.198 58.635 -0.437 17894 2065 1 8 . 1 1 42 42 SER H H 42 8.056 8.056 8.296 -0.240 17894 2066 1 8 . 1 1 43 43 LEU N N 43 120.689 120.689 124.791 -4.102 17894 2067 1 8 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.928 -0.015 17894 2068 1 8 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.693 0.552 17894 2069 1 8 . 1 1 43 43 LEU H H 43 9.296 9.296 8.683 0.613 17894 2070 1 8 . 1 1 44 44 GLN N N 44 115.960 115.960 119.703 -3.743 17894 2071 1 8 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.111 -0.414 17894 2072 1 8 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.821 2.051 17894 2073 1 8 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.570 0.580 17894 2074 1 8 . 1 1 44 44 GLN H H 44 8.915 8.915 8.459 0.456 17894 2075 1 8 . 1 1 45 45 LEU N N 45 119.431 119.431 120.480 -1.049 17894 2076 1 8 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.100 -0.208 17894 2077 1 8 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.808 -2.284 17894 2078 1 8 . 1 1 45 45 LEU H H 45 8.093 8.093 8.065 0.028 17894 2079 1 8 . 1 1 46 46 ALA N N 46 120.497 120.497 122.261 -1.764 17894 2080 1 8 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.948 0.086 17894 2081 1 8 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.364 1.137 17894 2082 1 8 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.137 2.516 17894 2083 1 8 . 1 1 46 46 ALA H H 46 8.512 8.512 8.793 -0.281 17894 2084 1 8 . 1 1 47 47 LEU N N 47 116.461 116.461 118.481 -2.020 17894 2085 1 8 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.855 0.359 17894 2086 1 8 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.027 0.374 17894 2087 1 8 . 1 1 47 47 LEU H H 47 8.675 8.675 8.521 0.154 17894 2088 1 8 . 1 1 48 48 LYS N N 48 120.970 120.970 120.305 0.665 17894 2089 1 8 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.078 -0.498 17894 2090 1 8 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.041 0.686 17894 2091 1 8 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.406 0.762 17894 2092 1 8 . 1 1 48 48 LYS H H 48 8.053 8.053 8.073 -0.020 17894 2093 1 8 . 1 1 49 49 ILE N N 49 120.407 120.407 120.696 -0.289 17894 2094 1 8 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.790 -0.192 17894 2095 1 8 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.800 2.301 17894 2096 1 8 . 1 1 49 49 ILE H H 49 8.783 8.783 8.519 0.264 17894 2097 1 8 . 1 1 50 50 ALA N N 50 120.445 120.445 122.926 -2.481 17894 2098 1 8 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.076 -0.006 17894 2099 1 8 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.218 1.183 17894 2100 1 8 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.261 0.645 17894 2101 1 8 . 1 1 50 50 ALA H H 50 8.182 8.182 8.423 -0.241 17894 2102 1 8 . 1 1 51 51 TYR N N 51 117.070 117.070 120.419 -3.349 17894 2103 1 8 . 1 1 51 51 TYR HA H 51 4.353 4.353 3.983 0.370 17894 2104 1 8 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.581 -0.228 17894 2105 1 8 . 1 1 51 51 TYR H H 51 8.170 8.170 8.733 -0.563 17894 2106 1 8 . 1 1 52 52 TYR N N 52 118.548 118.548 116.493 2.055 17894 2107 1 8 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.248 0.056 17894 2108 1 8 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.739 2.069 17894 2109 1 8 . 1 1 52 52 TYR H H 52 9.079 9.079 8.537 0.542 17894 2110 1 8 . 1 1 53 53 LEU N N 53 115.427 115.427 118.174 -2.747 17894 2111 1 8 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.086 0.450 17894 2112 1 8 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.335 -1.291 17894 2113 1 8 . 1 1 53 53 LEU H H 53 8.417 8.417 8.489 -0.072 17894 2114 1 8 . 1 1 54 54 ASN N N 54 122.105 122.105 112.924 9.181 17894 2115 1 8 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.361 0.088 17894 2116 1 8 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.907 0.784 17894 2117 1 8 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.303 1.329 17894 2118 1 8 . 1 1 54 54 ASN H H 54 8.090 8.090 8.419 -0.329 17894 2119 1 8 . 1 1 55 55 THR N N 55 114.929 114.929 115.227 -0.298 17894 2120 1 8 . 1 1 55 55 THR HA H 55 4.933 4.933 4.811 0.122 17894 2121 1 8 . 1 1 55 55 THR CA C 55 60.962 60.962 59.217 1.745 17894 2122 1 8 . 1 1 55 55 THR CB C 55 75.743 75.743 70.727 5.016 17894 2123 1 8 . 1 1 55 55 THR H H 55 8.255 8.255 7.624 0.631 17894 2124 1 8 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.529 0.067 17894 2125 1 8 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.431 1.173 17894 2126 1 8 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.424 0.495 17894 2127 1 8 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.131 -0.061 17894 2128 1 8 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.679 1.943 17894 2129 1 8 . 1 1 58 58 GLU N N 58 123.143 123.143 117.774 5.369 17894 2130 1 8 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.365 0.509 17894 2131 1 8 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.296 0.203 17894 2132 1 8 . 1 1 58 58 GLU H H 58 9.365 9.365 8.647 0.718 17894 2133 1 8 . 1 1 59 59 ASP N N 59 117.681 117.681 119.372 -1.691 17894 2134 1 8 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.436 0.187 17894 2135 1 8 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.498 -0.036 17894 2136 1 8 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.445 0.446 17894 2137 1 8 . 1 1 59 59 ASP H H 59 8.014 8.014 8.200 -0.186 17894 2138 1 8 . 1 1 60 60 ILE N N 60 119.519 119.519 113.478 6.041 17894 2139 1 8 . 1 1 60 60 ILE H H 60 8.209 8.209 7.547 0.662 17894 2140 1 8 . 1 1 61 61 PHE N N 61 115.960 115.960 119.687 -3.727 17894 2141 1 8 . 1 1 61 61 PHE H H 61 8.532 8.532 8.379 0.153 17894 2142 1 8 . 1 1 62 62 GLN N N 62 116.724 116.724 124.857 -8.133 17894 2143 1 8 . 1 1 62 62 GLN H H 62 8.752 8.752 9.480 -0.728 17894 2144 1 8 . 1 1 63 63 TRP N N 63 125.611 125.611 127.657 -2.046 17894 2145 1 8 . 1 1 63 63 TRP H H 63 9.476 9.476 8.584 0.892 17894 2146 1 8 . 1 1 64 64 GLN N N 64 127.087 127.087 126.512 0.575 17894 2147 1 8 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.359 -0.180 17894 2148 1 8 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.020 0.382 17894 2149 1 8 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.150 2.423 17894 2150 1 8 . 1 1 64 64 GLN H H 64 7.989 7.989 8.164 -0.175 17894 2151 1 8 . 1 1 65 65 PRO HA H 65 4.682 4.682 3.624 1.058 17894 2152 1 8 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.174 -0.660 17894 2153 1 9 . 1 1 2 2 ILE N N 2 123.202 123.202 120.341 2.861 17894 2154 1 9 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.654 -0.622 17894 2155 1 9 . 1 1 2 2 ILE H H 2 9.148 9.148 8.124 1.024 17894 2156 1 9 . 1 1 3 3 ILE N N 3 108.681 108.681 126.769 -18.088 17894 2157 1 9 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.275 0.155 17894 2158 1 9 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.280 1.631 17894 2159 1 9 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.798 1.757 17894 2160 1 9 . 1 1 3 3 ILE H H 3 9.416 9.416 8.063 1.353 17894 2161 1 9 . 1 1 4 4 ASN N N 4 123.966 123.966 126.586 -2.620 17894 2162 1 9 . 1 1 4 4 ASN H H 4 9.081 9.081 8.807 0.274 17894 2163 1 9 . 1 1 5 5 ASN N N 5 120.745 120.745 119.975 0.770 17894 2164 1 9 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.876 0.553 17894 2165 1 9 . 1 1 5 5 ASN CA C 5 52.356 52.356 51.751 0.605 17894 2166 1 9 . 1 1 5 5 ASN CB C 5 40.713 40.713 39.114 1.599 17894 2167 1 9 . 1 1 5 5 ASN H H 5 9.369 9.369 9.009 0.360 17894 2168 1 9 . 1 1 6 6 LEU N N 6 120.594 120.594 123.107 -2.513 17894 2169 1 9 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.761 0.005 17894 2170 1 9 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.323 2.276 17894 2171 1 9 . 1 1 6 6 LEU H H 6 8.538 8.538 7.460 1.078 17894 2172 1 9 . 1 1 7 7 LYS N N 7 118.177 118.177 117.634 0.543 17894 2173 1 9 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.062 -0.154 17894 2174 1 9 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.104 2.202 17894 2175 1 9 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.982 2.221 17894 2176 1 9 . 1 1 7 7 LYS H H 7 8.940 8.940 8.286 0.654 17894 2177 1 9 . 1 1 8 8 LEU N N 8 116.356 116.356 120.066 -3.710 17894 2178 1 9 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.143 0.029 17894 2179 1 9 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.430 1.860 17894 2180 1 9 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.999 1.929 17894 2181 1 9 . 1 1 8 8 LEU H H 8 7.687 7.687 7.440 0.247 17894 2182 1 9 . 1 1 9 9 ILE N N 9 119.134 119.134 118.889 0.245 17894 2183 1 9 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.548 0.265 17894 2184 1 9 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.419 -1.561 17894 2185 1 9 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.595 0.235 17894 2186 1 9 . 1 1 9 9 ILE H H 9 8.225 8.225 7.287 0.938 17894 2187 1 9 . 1 1 10 10 ARG N N 10 120.162 120.162 120.485 -0.323 17894 2188 1 9 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.914 -0.035 17894 2189 1 9 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.802 1.866 17894 2190 1 9 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.001 -0.602 17894 2191 1 9 . 1 1 10 10 ARG H H 10 9.259 9.259 8.661 0.598 17894 2192 1 9 . 1 1 11 11 GLU N N 11 115.878 115.878 118.046 -2.168 17894 2193 1 9 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.090 0.082 17894 2194 1 9 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.927 1.359 17894 2195 1 9 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.000 0.814 17894 2196 1 9 . 1 1 11 11 GLU H H 11 8.703 8.703 8.455 0.248 17894 2197 1 9 . 1 1 12 12 LYS N N 12 122.935 122.935 122.254 0.681 17894 2198 1 9 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.037 0.169 17894 2199 1 9 . 1 1 12 12 LYS CA C 12 60.275 60.275 58.763 1.512 17894 2200 1 9 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.354 0.544 17894 2201 1 9 . 1 1 12 12 LYS H H 12 8.256 8.256 8.020 0.236 17894 2202 1 9 . 1 1 13 13 LYS N N 13 116.350 116.350 116.493 -0.143 17894 2203 1 9 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.446 -0.150 17894 2204 1 9 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.468 0.464 17894 2205 1 9 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.221 0.228 17894 2206 1 9 . 1 1 13 13 LYS H H 13 7.813 7.813 7.843 -0.030 17894 2207 1 9 . 1 1 14 14 LYS N N 14 115.317 115.317 115.248 0.069 17894 2208 1 9 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.910 0.053 17894 2209 1 9 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.711 1.077 17894 2210 1 9 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.409 -0.361 17894 2211 1 9 . 1 1 14 14 LYS H H 14 8.068 8.068 7.689 0.379 17894 2212 1 9 . 1 1 15 15 ILE N N 15 118.373 118.373 120.576 -2.203 17894 2213 1 9 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.305 0.307 17894 2214 1 9 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.508 1.550 17894 2215 1 9 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.907 3.889 17894 2216 1 9 . 1 1 15 15 ILE H H 15 7.573 7.573 8.699 -1.126 17894 2217 1 9 . 1 1 16 16 SER N N 16 125.057 125.057 123.978 1.079 17894 2218 1 9 . 1 1 16 16 SER HA H 16 4.566 4.566 4.664 -0.098 17894 2219 1 9 . 1 1 16 16 SER CA C 16 57.781 57.781 58.209 -0.428 17894 2220 1 9 . 1 1 16 16 SER H H 16 9.457 9.457 9.490 -0.033 17894 2221 1 9 . 1 1 17 17 GLN N N 17 120.197 120.197 125.237 -5.040 17894 2222 1 9 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.024 -0.246 17894 2223 1 9 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.963 2.699 17894 2224 1 9 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.080 1.581 17894 2225 1 9 . 1 1 17 17 GLN H H 17 9.544 9.544 9.079 0.465 17894 2226 1 9 . 1 1 18 18 SER N N 18 112.998 112.998 114.900 -1.902 17894 2227 1 9 . 1 1 18 18 SER H H 18 8.985 8.985 8.741 0.244 17894 2228 1 9 . 1 1 19 19 GLU N N 19 124.112 124.112 121.827 2.285 17894 2229 1 9 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.128 -0.022 17894 2230 1 9 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.867 0.646 17894 2231 1 9 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.110 1.329 17894 2232 1 9 . 1 1 19 19 GLU H H 19 8.349 8.349 8.270 0.079 17894 2233 1 9 . 1 1 20 20 LEU N N 20 119.955 119.955 122.504 -2.549 17894 2234 1 9 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.288 -0.162 17894 2235 1 9 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.195 0.197 17894 2236 1 9 . 1 1 20 20 LEU H H 20 8.321 8.321 8.678 -0.357 17894 2237 1 9 . 1 1 21 21 ALA N N 21 119.830 119.830 121.871 -2.041 17894 2238 1 9 . 1 1 21 21 ALA HA H 21 3.709 3.709 4.014 -0.305 17894 2239 1 9 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.131 1.141 17894 2240 1 9 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.219 -0.484 17894 2241 1 9 . 1 1 21 21 ALA H H 21 8.595 8.595 8.879 -0.284 17894 2242 1 9 . 1 1 22 22 ALA N N 22 117.258 117.258 121.098 -3.840 17894 2243 1 9 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.968 0.295 17894 2244 1 9 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.914 0.595 17894 2245 1 9 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.409 0.121 17894 2246 1 9 . 1 1 22 22 ALA H H 22 7.818 7.818 7.824 -0.006 17894 2247 1 9 . 1 1 23 23 LEU N N 23 118.586 118.586 117.486 1.100 17894 2248 1 9 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.871 0.089 17894 2249 1 9 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.727 1.273 17894 2250 1 9 . 1 1 23 23 LEU H H 23 7.537 7.537 7.311 0.226 17894 2251 1 9 . 1 1 24 24 LEU N N 24 114.488 114.488 114.705 -0.217 17894 2252 1 9 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.262 0.001 17894 2253 1 9 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.116 -0.422 17894 2254 1 9 . 1 1 24 24 LEU H H 24 7.448 7.448 7.377 0.071 17894 2255 1 9 . 1 1 25 25 GLU N N 25 114.895 114.895 112.970 1.925 17894 2256 1 9 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.019 -0.054 17894 2257 1 9 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.394 0.654 17894 2258 1 9 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.424 0.469 17894 2259 1 9 . 1 1 25 25 GLU H H 25 8.028 8.028 7.891 0.137 17894 2260 1 9 . 1 1 26 26 VAL N N 26 109.697 109.697 113.228 -3.531 17894 2261 1 9 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.538 0.335 17894 2262 1 9 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.966 -0.785 17894 2263 1 9 . 1 1 26 26 VAL H H 26 7.990 7.990 7.562 0.428 17894 2264 1 9 . 1 1 27 27 SER N N 27 114.369 114.369 116.342 -1.973 17894 2265 1 9 . 1 1 27 27 SER HA H 27 4.643 4.643 4.523 0.120 17894 2266 1 9 . 1 1 27 27 SER CA C 27 57.345 57.345 58.456 -1.111 17894 2267 1 9 . 1 1 27 27 SER CB C 27 63.110 63.110 64.143 -1.033 17894 2268 1 9 . 1 1 27 27 SER H H 27 8.633 8.633 8.344 0.289 17894 2269 1 9 . 1 1 28 28 ARG N N 28 115.276 115.276 125.805 -10.529 17894 2270 1 9 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.979 -0.251 17894 2271 1 9 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.938 0.820 17894 2272 1 9 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.117 -0.167 17894 2273 1 9 . 1 1 28 28 ARG H H 28 8.236 8.236 8.973 -0.737 17894 2274 1 9 . 1 1 29 29 GLN N N 29 117.309 117.309 117.429 -0.120 17894 2275 1 9 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.128 0.025 17894 2276 1 9 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.475 0.538 17894 2277 1 9 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.847 0.621 17894 2278 1 9 . 1 1 29 29 GLN H H 29 8.835 8.835 8.953 -0.118 17894 2279 1 9 . 1 1 30 30 THR N N 30 119.984 119.984 112.612 7.372 17894 2280 1 9 . 1 1 30 30 THR HA H 30 4.418 4.418 4.108 0.310 17894 2281 1 9 . 1 1 30 30 THR CA C 30 68.600 68.600 65.897 2.703 17894 2282 1 9 . 1 1 30 30 THR CB C 30 67.556 67.556 68.417 -0.861 17894 2283 1 9 . 1 1 30 30 THR H H 30 8.136 8.136 8.027 0.109 17894 2284 1 9 . 1 1 31 31 ILE N N 31 118.828 118.828 123.181 -4.353 17894 2285 1 9 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.803 -0.018 17894 2286 1 9 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.943 -2.014 17894 2287 1 9 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.737 -0.760 17894 2288 1 9 . 1 1 31 31 ILE H H 31 7.162 7.162 7.747 -0.585 17894 2289 1 9 . 1 1 32 32 ASN N N 32 118.028 118.028 118.387 -0.359 17894 2290 1 9 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.728 -0.398 17894 2291 1 9 . 1 1 32 32 ASN CA C 32 58.195 58.195 56.061 2.134 17894 2292 1 9 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.453 2.692 17894 2293 1 9 . 1 1 32 32 ASN H H 32 8.668 8.668 8.733 -0.065 17894 2294 1 9 . 1 1 33 33 GLY N N 33 124.941 124.941 109.369 15.572 17894 2295 1 9 . 1 1 33 33 GLY H H 33 8.656 8.656 7.739 0.917 17894 2296 1 9 . 1 1 34 34 ILE N N 34 122.198 122.198 124.106 -1.908 17894 2297 1 9 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.777 0.507 17894 2298 1 9 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.617 0.923 17894 2299 1 9 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.046 1.140 17894 2300 1 9 . 1 1 34 34 ILE H H 34 8.205 8.205 8.474 -0.269 17894 2301 1 9 . 1 1 35 35 GLU N N 35 120.651 120.651 117.815 2.836 17894 2302 1 9 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.010 0.203 17894 2303 1 9 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.730 1.862 17894 2304 1 9 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.291 0.461 17894 2305 1 9 . 1 1 35 35 GLU H H 35 8.592 8.592 8.454 0.138 17894 2306 1 9 . 1 1 36 36 LYS N N 36 115.995 115.995 117.734 -1.739 17894 2307 1 9 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.071 0.431 17894 2308 1 9 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.814 -2.530 17894 2309 1 9 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.404 -0.565 17894 2310 1 9 . 1 1 36 36 LYS H H 36 8.111 8.111 7.431 0.679 17894 2311 1 9 . 1 1 37 37 ASN N N 37 114.563 114.563 108.664 5.899 17894 2312 1 9 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.815 -0.067 17894 2313 1 9 . 1 1 37 37 ASN CA C 37 55.688 55.688 52.784 2.904 17894 2314 1 9 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.935 -1.131 17894 2315 1 9 . 1 1 37 37 ASN H H 37 8.223 8.223 8.221 0.002 17894 2316 1 9 . 1 1 38 38 LYS N N 38 115.051 115.051 122.107 -7.056 17894 2317 1 9 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.926 0.495 17894 2318 1 9 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.962 1.034 17894 2319 1 9 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.167 0.969 17894 2320 1 9 . 1 1 38 38 LYS H H 38 8.734 8.734 8.176 0.558 17894 2321 1 9 . 1 1 39 39 TYR N N 39 116.976 116.976 120.701 -3.725 17894 2322 1 9 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.221 0.388 17894 2323 1 9 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.597 -1.220 17894 2324 1 9 . 1 1 39 39 TYR H H 39 7.089 7.089 7.709 -0.620 17894 2325 1 9 . 1 1 40 40 ASN N N 40 123.607 123.607 122.176 1.431 17894 2326 1 9 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.654 0.722 17894 2327 1 9 . 1 1 40 40 ASN H H 40 8.862 8.862 8.575 0.287 17894 2328 1 9 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.486 -0.697 17894 2329 1 9 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.561 0.909 17894 2330 1 9 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.440 0.021 17894 2331 1 9 . 1 1 42 42 SER N N 42 125.650 125.650 115.355 10.295 17894 2332 1 9 . 1 1 42 42 SER HA H 42 4.556 4.556 4.268 0.288 17894 2333 1 9 . 1 1 42 42 SER CA C 42 58.198 58.198 58.223 -0.025 17894 2334 1 9 . 1 1 42 42 SER H H 42 8.056 8.056 8.194 -0.138 17894 2335 1 9 . 1 1 43 43 LEU N N 43 120.689 120.689 124.155 -3.466 17894 2336 1 9 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.949 -0.036 17894 2337 1 9 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.705 0.540 17894 2338 1 9 . 1 1 43 43 LEU H H 43 9.296 9.296 8.730 0.566 17894 2339 1 9 . 1 1 44 44 GLN N N 44 115.960 115.960 118.925 -2.965 17894 2340 1 9 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.128 -0.431 17894 2341 1 9 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.748 2.124 17894 2342 1 9 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.444 0.706 17894 2343 1 9 . 1 1 44 44 GLN H H 44 8.915 8.915 8.532 0.383 17894 2344 1 9 . 1 1 45 45 LEU N N 45 119.431 119.431 120.522 -1.091 17894 2345 1 9 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.096 -0.204 17894 2346 1 9 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.779 -2.255 17894 2347 1 9 . 1 1 45 45 LEU H H 45 8.093 8.093 8.078 0.015 17894 2348 1 9 . 1 1 46 46 ALA N N 46 120.497 120.497 122.328 -1.831 17894 2349 1 9 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.088 -0.054 17894 2350 1 9 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.407 1.094 17894 2351 1 9 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.118 2.535 17894 2352 1 9 . 1 1 46 46 ALA H H 46 8.512 8.512 8.670 -0.158 17894 2353 1 9 . 1 1 47 47 LEU N N 47 116.461 116.461 118.971 -2.510 17894 2354 1 9 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.862 0.352 17894 2355 1 9 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.120 0.281 17894 2356 1 9 . 1 1 47 47 LEU H H 47 8.675 8.675 8.231 0.444 17894 2357 1 9 . 1 1 48 48 LYS N N 48 120.970 120.970 120.040 0.930 17894 2358 1 9 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.195 -0.615 17894 2359 1 9 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.955 0.772 17894 2360 1 9 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.475 0.693 17894 2361 1 9 . 1 1 48 48 LYS H H 48 8.053 8.053 8.498 -0.445 17894 2362 1 9 . 1 1 49 49 ILE N N 49 120.407 120.407 119.744 0.663 17894 2363 1 9 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.755 -0.157 17894 2364 1 9 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.928 3.174 17894 2365 1 9 . 1 1 49 49 ILE H H 49 8.783 8.783 8.448 0.335 17894 2366 1 9 . 1 1 50 50 ALA N N 50 120.445 120.445 121.817 -1.372 17894 2367 1 9 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.015 0.055 17894 2368 1 9 . 1 1 50 50 ALA CA C 50 56.400 56.400 54.761 1.639 17894 2369 1 9 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.614 0.291 17894 2370 1 9 . 1 1 50 50 ALA H H 50 8.182 8.182 8.412 -0.231 17894 2371 1 9 . 1 1 51 51 TYR N N 51 117.070 117.070 120.710 -3.640 17894 2372 1 9 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.102 0.251 17894 2373 1 9 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.158 0.195 17894 2374 1 9 . 1 1 51 51 TYR H H 51 8.170 8.170 8.832 -0.662 17894 2375 1 9 . 1 1 52 52 TYR N N 52 118.548 118.548 113.942 4.606 17894 2376 1 9 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.184 0.120 17894 2377 1 9 . 1 1 52 52 TYR CA C 52 63.808 63.808 59.041 4.767 17894 2378 1 9 . 1 1 52 52 TYR H H 52 9.079 9.079 7.545 1.534 17894 2379 1 9 . 1 1 53 53 LEU N N 53 115.427 115.427 119.267 -3.840 17894 2380 1 9 . 1 1 53 53 LEU HA H 53 4.536 4.536 3.856 0.680 17894 2381 1 9 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.378 -0.334 17894 2382 1 9 . 1 1 53 53 LEU H H 53 8.417 8.417 6.993 1.424 17894 2383 1 9 . 1 1 54 54 ASN N N 54 122.105 122.105 115.119 6.986 17894 2384 1 9 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.312 0.137 17894 2385 1 9 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.485 0.206 17894 2386 1 9 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.417 2.214 17894 2387 1 9 . 1 1 54 54 ASN H H 54 8.090 8.090 8.189 -0.099 17894 2388 1 9 . 1 1 55 55 THR N N 55 114.929 114.929 115.163 -0.234 17894 2389 1 9 . 1 1 55 55 THR HA H 55 4.933 4.933 4.660 0.273 17894 2390 1 9 . 1 1 55 55 THR CA C 55 60.962 60.962 59.582 1.380 17894 2391 1 9 . 1 1 55 55 THR CB C 55 75.743 75.743 71.592 4.151 17894 2392 1 9 . 1 1 55 55 THR H H 55 8.255 8.255 7.672 0.583 17894 2393 1 9 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.546 0.050 17894 2394 1 9 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.738 0.866 17894 2395 1 9 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.310 0.609 17894 2396 1 9 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.122 -0.052 17894 2397 1 9 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.541 2.081 17894 2398 1 9 . 1 1 58 58 GLU N N 58 123.143 123.143 118.218 4.925 17894 2399 1 9 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.558 0.316 17894 2400 1 9 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.383 0.116 17894 2401 1 9 . 1 1 58 58 GLU H H 58 9.365 9.365 8.974 0.391 17894 2402 1 9 . 1 1 59 59 ASP N N 59 117.681 117.681 119.931 -2.250 17894 2403 1 9 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.427 0.196 17894 2404 1 9 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.532 -0.070 17894 2405 1 9 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.873 0.018 17894 2406 1 9 . 1 1 59 59 ASP H H 59 8.014 8.014 7.617 0.397 17894 2407 1 9 . 1 1 60 60 ILE N N 60 119.519 119.519 112.616 6.903 17894 2408 1 9 . 1 1 60 60 ILE H H 60 8.209 8.209 7.337 0.872 17894 2409 1 9 . 1 1 61 61 PHE N N 61 115.960 115.960 119.241 -3.281 17894 2410 1 9 . 1 1 61 61 PHE H H 61 8.532 8.532 8.662 -0.130 17894 2411 1 9 . 1 1 62 62 GLN N N 62 116.724 116.724 123.695 -6.971 17894 2412 1 9 . 1 1 62 62 GLN H H 62 8.752 8.752 8.781 -0.029 17894 2413 1 9 . 1 1 63 63 TRP N N 63 125.611 125.611 125.986 -0.375 17894 2414 1 9 . 1 1 63 63 TRP H H 63 9.476 9.476 8.875 0.601 17894 2415 1 9 . 1 1 64 64 GLN N N 64 127.087 127.087 122.313 4.774 17894 2416 1 9 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.609 -0.430 17894 2417 1 9 . 1 1 64 64 GLN CA C 64 52.402 52.402 54.218 -1.817 17894 2418 1 9 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.126 2.447 17894 2419 1 9 . 1 1 64 64 GLN H H 64 7.989 7.989 8.169 -0.180 17894 2420 1 9 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.309 0.373 17894 2421 1 9 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.545 -2.031 17894 2422 1 10 . 1 1 2 2 ILE N N 2 123.202 123.202 119.884 3.318 17894 2423 1 10 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.145 -0.112 17894 2424 1 10 . 1 1 2 2 ILE H H 2 9.148 9.148 7.615 1.533 17894 2425 1 10 . 1 1 3 3 ILE N N 3 108.681 108.681 128.150 -19.469 17894 2426 1 10 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.267 0.163 17894 2427 1 10 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.131 1.780 17894 2428 1 10 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.411 2.144 17894 2429 1 10 . 1 1 3 3 ILE H H 3 9.416 9.416 7.979 1.437 17894 2430 1 10 . 1 1 4 4 ASN N N 4 123.966 123.966 126.481 -2.515 17894 2431 1 10 . 1 1 4 4 ASN H H 4 9.081 9.081 8.853 0.228 17894 2432 1 10 . 1 1 5 5 ASN N N 5 120.745 120.745 125.495 -4.750 17894 2433 1 10 . 1 1 5 5 ASN HA H 5 5.429 5.429 5.041 0.388 17894 2434 1 10 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.012 0.344 17894 2435 1 10 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.967 1.746 17894 2436 1 10 . 1 1 5 5 ASN H H 5 9.369 9.369 9.252 0.117 17894 2437 1 10 . 1 1 6 6 LEU N N 6 120.594 120.594 123.979 -3.385 17894 2438 1 10 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.878 -0.112 17894 2439 1 10 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.785 1.814 17894 2440 1 10 . 1 1 6 6 LEU H H 6 8.538 8.538 7.762 0.776 17894 2441 1 10 . 1 1 7 7 LYS N N 7 118.177 118.177 119.251 -1.074 17894 2442 1 10 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.909 -0.001 17894 2443 1 10 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.455 1.851 17894 2444 1 10 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.816 2.387 17894 2445 1 10 . 1 1 7 7 LYS H H 7 8.940 8.940 8.521 0.419 17894 2446 1 10 . 1 1 8 8 LEU N N 8 116.356 116.356 119.740 -3.384 17894 2447 1 10 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.092 0.080 17894 2448 1 10 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.414 1.876 17894 2449 1 10 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.833 2.095 17894 2450 1 10 . 1 1 8 8 LEU H H 8 7.687 7.687 7.959 -0.272 17894 2451 1 10 . 1 1 9 9 ILE N N 9 119.134 119.134 118.902 0.232 17894 2452 1 10 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.506 0.307 17894 2453 1 10 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.843 -1.985 17894 2454 1 10 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.653 0.177 17894 2455 1 10 . 1 1 9 9 ILE H H 9 8.225 8.225 7.848 0.377 17894 2456 1 10 . 1 1 10 10 ARG N N 10 120.162 120.162 120.558 -0.396 17894 2457 1 10 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.934 -0.055 17894 2458 1 10 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.787 1.881 17894 2459 1 10 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.078 -0.679 17894 2460 1 10 . 1 1 10 10 ARG H H 10 9.259 9.259 8.841 0.418 17894 2461 1 10 . 1 1 11 11 GLU N N 11 115.878 115.878 118.584 -2.706 17894 2462 1 10 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.103 0.069 17894 2463 1 10 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.068 1.218 17894 2464 1 10 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.867 0.947 17894 2465 1 10 . 1 1 11 11 GLU H H 11 8.703 8.703 8.952 -0.249 17894 2466 1 10 . 1 1 12 12 LYS N N 12 122.935 122.935 122.121 0.814 17894 2467 1 10 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.017 0.189 17894 2468 1 10 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.114 1.161 17894 2469 1 10 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.539 0.359 17894 2470 1 10 . 1 1 12 12 LYS H H 12 8.256 8.256 8.258 -0.002 17894 2471 1 10 . 1 1 13 13 LYS N N 13 116.350 116.350 114.771 1.579 17894 2472 1 10 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.381 -0.085 17894 2473 1 10 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.597 0.334 17894 2474 1 10 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.696 -0.247 17894 2475 1 10 . 1 1 13 13 LYS H H 13 7.813 7.813 7.662 0.151 17894 2476 1 10 . 1 1 14 14 LYS N N 14 115.317 115.317 116.747 -1.430 17894 2477 1 10 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.938 0.025 17894 2478 1 10 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.653 1.135 17894 2479 1 10 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.773 -0.725 17894 2480 1 10 . 1 1 14 14 LYS H H 14 8.068 8.068 7.567 0.501 17894 2481 1 10 . 1 1 15 15 ILE N N 15 118.373 118.373 121.584 -3.211 17894 2482 1 10 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.224 0.388 17894 2483 1 10 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.068 0.990 17894 2484 1 10 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.217 3.579 17894 2485 1 10 . 1 1 15 15 ILE H H 15 7.573 7.573 8.707 -1.134 17894 2486 1 10 . 1 1 16 16 SER N N 16 125.057 125.057 125.033 0.024 17894 2487 1 10 . 1 1 16 16 SER HA H 16 4.566 4.566 4.429 0.137 17894 2488 1 10 . 1 1 16 16 SER CA C 16 57.781 57.781 58.391 -0.610 17894 2489 1 10 . 1 1 16 16 SER H H 16 9.457 9.457 8.663 0.794 17894 2490 1 10 . 1 1 17 17 GLN N N 17 120.197 120.197 123.703 -3.506 17894 2491 1 10 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.097 -0.319 17894 2492 1 10 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.290 3.372 17894 2493 1 10 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.267 1.393 17894 2494 1 10 . 1 1 17 17 GLN H H 17 9.544 9.544 9.011 0.533 17894 2495 1 10 . 1 1 18 18 SER N N 18 112.998 112.998 115.148 -2.150 17894 2496 1 10 . 1 1 18 18 SER H H 18 8.985 8.985 8.692 0.293 17894 2497 1 10 . 1 1 19 19 GLU N N 19 124.112 124.112 121.483 2.629 17894 2498 1 10 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.133 -0.027 17894 2499 1 10 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.861 0.652 17894 2500 1 10 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.826 1.613 17894 2501 1 10 . 1 1 19 19 GLU H H 19 8.349 8.349 8.588 -0.239 17894 2502 1 10 . 1 1 20 20 LEU N N 20 119.955 119.955 122.375 -2.420 17894 2503 1 10 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.032 0.094 17894 2504 1 10 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.178 0.214 17894 2505 1 10 . 1 1 20 20 LEU H H 20 8.321 8.321 7.713 0.608 17894 2506 1 10 . 1 1 21 21 ALA N N 21 119.830 119.830 120.947 -1.117 17894 2507 1 10 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.957 -0.248 17894 2508 1 10 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.071 1.201 17894 2509 1 10 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.063 -0.328 17894 2510 1 10 . 1 1 21 21 ALA H H 21 8.595 8.595 8.314 0.281 17894 2511 1 10 . 1 1 22 22 ALA N N 22 117.258 117.258 121.554 -4.296 17894 2512 1 10 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.020 0.243 17894 2513 1 10 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.806 0.703 17894 2514 1 10 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.521 0.009 17894 2515 1 10 . 1 1 22 22 ALA H H 22 7.818 7.818 7.822 -0.004 17894 2516 1 10 . 1 1 23 23 LEU N N 23 118.586 118.586 118.372 0.214 17894 2517 1 10 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.880 0.080 17894 2518 1 10 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.380 0.620 17894 2519 1 10 . 1 1 23 23 LEU H H 23 7.537 7.537 8.200 -0.663 17894 2520 1 10 . 1 1 24 24 LEU N N 24 114.488 114.488 115.480 -0.992 17894 2521 1 10 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.279 -0.016 17894 2522 1 10 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.651 -0.957 17894 2523 1 10 . 1 1 24 24 LEU H H 24 7.448 7.448 8.325 -0.877 17894 2524 1 10 . 1 1 25 25 GLU N N 25 114.895 114.895 114.109 0.786 17894 2525 1 10 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.035 -0.070 17894 2526 1 10 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.183 0.865 17894 2527 1 10 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.484 0.409 17894 2528 1 10 . 1 1 25 25 GLU H H 25 8.028 8.028 8.467 -0.439 17894 2529 1 10 . 1 1 26 26 VAL N N 26 109.697 109.697 112.903 -3.206 17894 2530 1 10 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.562 0.311 17894 2531 1 10 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.280 -0.099 17894 2532 1 10 . 1 1 26 26 VAL H H 26 7.990 7.990 7.743 0.247 17894 2533 1 10 . 1 1 27 27 SER N N 27 114.369 114.369 116.755 -2.386 17894 2534 1 10 . 1 1 27 27 SER HA H 27 4.643 4.643 4.530 0.113 17894 2535 1 10 . 1 1 27 27 SER CA C 27 57.345 57.345 59.039 -1.694 17894 2536 1 10 . 1 1 27 27 SER CB C 27 63.110 63.110 63.932 -0.822 17894 2537 1 10 . 1 1 27 27 SER H H 27 8.633 8.633 8.654 -0.021 17894 2538 1 10 . 1 1 28 28 ARG N N 28 115.276 115.276 126.494 -11.218 17894 2539 1 10 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.946 -0.218 17894 2540 1 10 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.291 0.467 17894 2541 1 10 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.227 -0.277 17894 2542 1 10 . 1 1 28 28 ARG H H 28 8.236 8.236 8.917 -0.681 17894 2543 1 10 . 1 1 29 29 GLN N N 29 117.309 117.309 117.452 -0.143 17894 2544 1 10 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.183 -0.030 17894 2545 1 10 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.176 0.837 17894 2546 1 10 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.914 0.554 17894 2547 1 10 . 1 1 29 29 GLN H H 29 8.835 8.835 8.788 0.047 17894 2548 1 10 . 1 1 30 30 THR N N 30 119.984 119.984 115.114 4.870 17894 2549 1 10 . 1 1 30 30 THR HA H 30 4.418 4.418 4.019 0.399 17894 2550 1 10 . 1 1 30 30 THR CA C 30 68.600 68.600 66.378 2.222 17894 2551 1 10 . 1 1 30 30 THR CB C 30 67.556 67.556 68.273 -0.717 17894 2552 1 10 . 1 1 30 30 THR H H 30 8.136 8.136 7.569 0.567 17894 2553 1 10 . 1 1 31 31 ILE N N 31 118.828 118.828 121.615 -2.787 17894 2554 1 10 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.796 -0.011 17894 2555 1 10 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.941 -2.012 17894 2556 1 10 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.004 -1.027 17894 2557 1 10 . 1 1 31 31 ILE H H 31 7.162 7.162 7.456 -0.294 17894 2558 1 10 . 1 1 32 32 ASN N N 32 118.028 118.028 116.849 1.179 17894 2559 1 10 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.972 -0.642 17894 2560 1 10 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.779 3.416 17894 2561 1 10 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.667 2.478 17894 2562 1 10 . 1 1 32 32 ASN H H 32 8.668 8.668 8.832 -0.164 17894 2563 1 10 . 1 1 33 33 GLY N N 33 124.941 124.941 109.677 15.264 17894 2564 1 10 . 1 1 33 33 GLY H H 33 8.656 8.656 7.879 0.777 17894 2565 1 10 . 1 1 34 34 ILE N N 34 122.198 122.198 123.452 -1.254 17894 2566 1 10 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.774 0.510 17894 2567 1 10 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.396 1.144 17894 2568 1 10 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.051 1.135 17894 2569 1 10 . 1 1 34 34 ILE H H 34 8.205 8.205 8.281 -0.076 17894 2570 1 10 . 1 1 35 35 GLU N N 35 120.651 120.651 117.998 2.653 17894 2571 1 10 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.047 0.166 17894 2572 1 10 . 1 1 35 35 GLU CA C 35 60.592 60.592 59.477 1.115 17894 2573 1 10 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.096 0.656 17894 2574 1 10 . 1 1 35 35 GLU H H 35 8.592 8.592 7.797 0.795 17894 2575 1 10 . 1 1 36 36 LYS N N 36 115.995 115.995 119.737 -3.742 17894 2576 1 10 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.067 0.435 17894 2577 1 10 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.998 -2.714 17894 2578 1 10 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.788 0.051 17894 2579 1 10 . 1 1 36 36 LYS H H 36 8.111 8.111 8.229 -0.118 17894 2580 1 10 . 1 1 37 37 ASN N N 37 114.563 114.563 110.324 4.239 17894 2581 1 10 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.627 0.121 17894 2582 1 10 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.590 2.098 17894 2583 1 10 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.403 -1.599 17894 2584 1 10 . 1 1 37 37 ASN H H 37 8.223 8.223 8.480 -0.257 17894 2585 1 10 . 1 1 38 38 LYS N N 38 115.051 115.051 122.435 -7.384 17894 2586 1 10 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.862 0.559 17894 2587 1 10 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.400 0.596 17894 2588 1 10 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.799 1.337 17894 2589 1 10 . 1 1 38 38 LYS H H 38 8.734 8.734 8.203 0.531 17894 2590 1 10 . 1 1 39 39 TYR N N 39 116.976 116.976 121.313 -4.337 17894 2591 1 10 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.279 0.330 17894 2592 1 10 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.707 -1.330 17894 2593 1 10 . 1 1 39 39 TYR H H 39 7.089 7.089 7.643 -0.554 17894 2594 1 10 . 1 1 40 40 ASN N N 40 123.607 123.607 121.114 2.493 17894 2595 1 10 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.711 0.666 17894 2596 1 10 . 1 1 40 40 ASN H H 40 8.862 8.862 8.438 0.424 17894 2597 1 10 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.493 -0.704 17894 2598 1 10 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.870 0.600 17894 2599 1 10 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.181 0.280 17894 2600 1 10 . 1 1 42 42 SER N N 42 125.650 125.650 115.807 9.843 17894 2601 1 10 . 1 1 42 42 SER HA H 42 4.556 4.556 4.338 0.218 17894 2602 1 10 . 1 1 42 42 SER CA C 42 58.198 58.198 57.742 0.456 17894 2603 1 10 . 1 1 42 42 SER H H 42 8.056 8.056 8.238 -0.182 17894 2604 1 10 . 1 1 43 43 LEU N N 43 120.689 120.689 123.723 -3.034 17894 2605 1 10 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.941 -0.028 17894 2606 1 10 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.583 0.662 17894 2607 1 10 . 1 1 43 43 LEU H H 43 9.296 9.296 8.727 0.569 17894 2608 1 10 . 1 1 44 44 GLN N N 44 115.960 115.960 120.132 -4.172 17894 2609 1 10 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.088 -0.391 17894 2610 1 10 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.780 2.092 17894 2611 1 10 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.244 0.906 17894 2612 1 10 . 1 1 44 44 GLN H H 44 8.915 8.915 8.547 0.368 17894 2613 1 10 . 1 1 45 45 LEU N N 45 119.431 119.431 120.911 -1.480 17894 2614 1 10 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.063 -0.171 17894 2615 1 10 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.700 -2.176 17894 2616 1 10 . 1 1 45 45 LEU H H 45 8.093 8.093 7.999 0.094 17894 2617 1 10 . 1 1 46 46 ALA N N 46 120.497 120.497 122.507 -2.010 17894 2618 1 10 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.224 -0.190 17894 2619 1 10 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.528 0.973 17894 2620 1 10 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.401 2.252 17894 2621 1 10 . 1 1 46 46 ALA H H 46 8.512 8.512 8.813 -0.301 17894 2622 1 10 . 1 1 47 47 LEU N N 47 116.461 116.461 118.714 -2.253 17894 2623 1 10 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.818 0.396 17894 2624 1 10 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.028 0.373 17894 2625 1 10 . 1 1 47 47 LEU H H 47 8.675 8.675 8.740 -0.065 17894 2626 1 10 . 1 1 48 48 LYS N N 48 120.970 120.970 119.903 1.067 17894 2627 1 10 . 1 1 48 48 LYS HA H 48 3.580 3.580 3.169 0.411 17894 2628 1 10 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.389 1.338 17894 2629 1 10 . 1 1 48 48 LYS CB C 48 33.168 33.168 31.949 1.219 17894 2630 1 10 . 1 1 48 48 LYS H H 48 8.053 8.053 8.296 -0.243 17894 2631 1 10 . 1 1 49 49 ILE N N 49 120.407 120.407 119.867 0.540 17894 2632 1 10 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.676 -0.078 17894 2633 1 10 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.997 3.105 17894 2634 1 10 . 1 1 49 49 ILE H H 49 8.783 8.783 8.264 0.519 17894 2635 1 10 . 1 1 50 50 ALA N N 50 120.445 120.445 123.537 -3.092 17894 2636 1 10 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.132 -0.062 17894 2637 1 10 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.094 1.306 17894 2638 1 10 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.516 0.389 17894 2639 1 10 . 1 1 50 50 ALA H H 50 8.182 8.182 8.494 -0.312 17894 2640 1 10 . 1 1 51 51 TYR N N 51 117.070 117.070 117.749 -0.679 17894 2641 1 10 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.249 0.104 17894 2642 1 10 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.608 0.744 17894 2643 1 10 . 1 1 51 51 TYR H H 51 8.170 8.170 8.377 -0.207 17894 2644 1 10 . 1 1 52 52 TYR N N 52 118.548 118.548 116.647 1.901 17894 2645 1 10 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.336 -0.032 17894 2646 1 10 . 1 1 52 52 TYR CA C 52 63.808 63.808 59.972 3.836 17894 2647 1 10 . 1 1 52 52 TYR H H 52 9.079 9.079 8.296 0.783 17894 2648 1 10 . 1 1 53 53 LEU N N 53 115.427 115.427 113.009 2.418 17894 2649 1 10 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.636 -0.100 17894 2650 1 10 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.184 -0.140 17894 2651 1 10 . 1 1 53 53 LEU H H 53 8.417 8.417 7.873 0.544 17894 2652 1 10 . 1 1 54 54 ASN N N 54 122.105 122.105 116.461 5.644 17894 2653 1 10 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.356 0.093 17894 2654 1 10 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.466 0.225 17894 2655 1 10 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.081 2.550 17894 2656 1 10 . 1 1 54 54 ASN H H 54 8.090 8.090 7.989 0.101 17894 2657 1 10 . 1 1 55 55 THR N N 55 114.929 114.929 115.607 -0.678 17894 2658 1 10 . 1 1 55 55 THR HA H 55 4.933 4.933 4.668 0.265 17894 2659 1 10 . 1 1 55 55 THR CA C 55 60.962 60.962 59.774 1.188 17894 2660 1 10 . 1 1 55 55 THR CB C 55 75.743 75.743 71.955 3.788 17894 2661 1 10 . 1 1 55 55 THR H H 55 8.255 8.255 8.457 -0.202 17894 2662 1 10 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.407 0.189 17894 2663 1 10 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.644 0.960 17894 2664 1 10 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.238 0.681 17894 2665 1 10 . 1 1 57 57 LEU HA H 57 4.070 4.070 3.858 0.212 17894 2666 1 10 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.442 2.180 17894 2667 1 10 . 1 1 58 58 GLU N N 58 123.143 123.143 118.506 4.637 17894 2668 1 10 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.741 1.133 17894 2669 1 10 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.021 0.478 17894 2670 1 10 . 1 1 58 58 GLU H H 58 9.365 9.365 8.646 0.719 17894 2671 1 10 . 1 1 59 59 ASP N N 59 117.681 117.681 118.264 -0.583 17894 2672 1 10 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.358 0.265 17894 2673 1 10 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.388 0.074 17894 2674 1 10 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.181 -0.290 17894 2675 1 10 . 1 1 59 59 ASP H H 59 8.014 8.014 7.577 0.437 17894 2676 1 10 . 1 1 60 60 ILE N N 60 119.519 119.519 114.249 5.270 17894 2677 1 10 . 1 1 60 60 ILE H H 60 8.209 8.209 7.078 1.131 17894 2678 1 10 . 1 1 61 61 PHE N N 61 115.960 115.960 118.430 -2.470 17894 2679 1 10 . 1 1 61 61 PHE H H 61 8.532 8.532 8.067 0.465 17894 2680 1 10 . 1 1 62 62 GLN N N 62 116.724 116.724 121.368 -4.644 17894 2681 1 10 . 1 1 62 62 GLN H H 62 8.752 8.752 8.089 0.663 17894 2682 1 10 . 1 1 63 63 TRP N N 63 125.611 125.611 120.996 4.615 17894 2683 1 10 . 1 1 63 63 TRP H H 63 9.476 9.476 8.351 1.125 17894 2684 1 10 . 1 1 64 64 GLN N N 64 127.087 127.087 119.198 7.889 17894 2685 1 10 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.959 -0.780 17894 2686 1 10 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.687 -0.284 17894 2687 1 10 . 1 1 64 64 GLN CB C 64 31.573 31.573 30.034 1.539 17894 2688 1 10 . 1 1 64 64 GLN H H 64 7.989 7.989 8.513 -0.524 17894 2689 1 10 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.362 0.320 17894 2690 1 10 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.846 -1.332 17894 2691 1 11 . 1 1 2 2 ILE N N 2 123.202 123.202 122.115 1.087 17894 2692 1 11 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.561 1.471 17894 2693 1 11 . 1 1 2 2 ILE H H 2 9.148 9.148 7.712 1.436 17894 2694 1 11 . 1 1 3 3 ILE N N 3 108.681 108.681 125.013 -16.332 17894 2695 1 11 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.977 0.453 17894 2696 1 11 . 1 1 3 3 ILE CA C 3 60.911 60.911 61.546 -0.635 17894 2697 1 11 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.345 1.210 17894 2698 1 11 . 1 1 3 3 ILE H H 3 9.416 9.416 8.839 0.577 17894 2699 1 11 . 1 1 4 4 ASN N N 4 123.966 123.966 112.356 11.610 17894 2700 1 11 . 1 1 4 4 ASN H H 4 9.081 9.081 8.631 0.450 17894 2701 1 11 . 1 1 5 5 ASN N N 5 120.745 120.745 116.013 4.732 17894 2702 1 11 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.565 0.864 17894 2703 1 11 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.864 -0.508 17894 2704 1 11 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.336 3.377 17894 2705 1 11 . 1 1 5 5 ASN H H 5 9.369 9.369 8.275 1.094 17894 2706 1 11 . 1 1 6 6 LEU N N 6 120.594 120.594 123.486 -2.892 17894 2707 1 11 . 1 1 6 6 LEU HA H 6 3.766 3.766 4.037 -0.271 17894 2708 1 11 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.182 3.417 17894 2709 1 11 . 1 1 6 6 LEU H H 6 8.538 8.538 8.301 0.237 17894 2710 1 11 . 1 1 7 7 LYS N N 7 118.177 118.177 117.919 0.258 17894 2711 1 11 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.071 -0.163 17894 2712 1 11 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.131 2.175 17894 2713 1 11 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.186 2.017 17894 2714 1 11 . 1 1 7 7 LYS H H 7 8.940 8.940 8.167 0.773 17894 2715 1 11 . 1 1 8 8 LEU N N 8 116.356 116.356 119.346 -2.990 17894 2716 1 11 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.143 0.029 17894 2717 1 11 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.688 0.602 17894 2718 1 11 . 1 1 8 8 LEU CB C 8 42.928 42.928 41.120 1.808 17894 2719 1 11 . 1 1 8 8 LEU H H 8 7.687 7.687 7.873 -0.186 17894 2720 1 11 . 1 1 9 9 ILE N N 9 119.134 119.134 117.903 1.231 17894 2721 1 11 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.629 0.184 17894 2722 1 11 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.110 -1.252 17894 2723 1 11 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.516 0.314 17894 2724 1 11 . 1 1 9 9 ILE H H 9 8.225 8.225 7.463 0.762 17894 2725 1 11 . 1 1 10 10 ARG N N 10 120.162 120.162 120.875 -0.713 17894 2726 1 11 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.865 0.014 17894 2727 1 11 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.418 2.250 17894 2728 1 11 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.947 -0.548 17894 2729 1 11 . 1 1 10 10 ARG H H 10 9.259 9.259 8.287 0.972 17894 2730 1 11 . 1 1 11 11 GLU N N 11 115.878 115.878 118.126 -2.248 17894 2731 1 11 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.127 0.045 17894 2732 1 11 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.937 1.349 17894 2733 1 11 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.744 1.069 17894 2734 1 11 . 1 1 11 11 GLU H H 11 8.703 8.703 8.878 -0.175 17894 2735 1 11 . 1 1 12 12 LYS N N 12 122.935 122.935 122.493 0.442 17894 2736 1 11 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.062 0.144 17894 2737 1 11 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.023 1.252 17894 2738 1 11 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.487 0.411 17894 2739 1 11 . 1 1 12 12 LYS H H 12 8.256 8.256 8.207 0.049 17894 2740 1 11 . 1 1 13 13 LYS N N 13 116.350 116.350 115.438 0.912 17894 2741 1 11 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.494 -0.198 17894 2742 1 11 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.318 0.613 17894 2743 1 11 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.130 0.319 17894 2744 1 11 . 1 1 13 13 LYS H H 13 7.813 7.813 7.478 0.335 17894 2745 1 11 . 1 1 14 14 LYS N N 14 115.317 115.317 115.465 -0.148 17894 2746 1 11 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.907 0.056 17894 2747 1 11 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.968 0.820 17894 2748 1 11 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.373 -0.325 17894 2749 1 11 . 1 1 14 14 LYS H H 14 8.068 8.068 8.257 -0.189 17894 2750 1 11 . 1 1 15 15 ILE N N 15 118.373 118.373 119.317 -0.944 17894 2751 1 11 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.164 0.448 17894 2752 1 11 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.605 0.452 17894 2753 1 11 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.227 3.569 17894 2754 1 11 . 1 1 15 15 ILE H H 15 7.573 7.573 8.333 -0.760 17894 2755 1 11 . 1 1 16 16 SER N N 16 125.057 125.057 120.720 4.337 17894 2756 1 11 . 1 1 16 16 SER HA H 16 4.566 4.566 4.682 -0.116 17894 2757 1 11 . 1 1 16 16 SER CA C 16 57.781 57.781 57.418 0.363 17894 2758 1 11 . 1 1 16 16 SER H H 16 9.457 9.457 9.499 -0.042 17894 2759 1 11 . 1 1 17 17 GLN N N 17 120.197 120.197 125.086 -4.889 17894 2760 1 11 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.976 -0.198 17894 2761 1 11 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.234 3.428 17894 2762 1 11 . 1 1 17 17 GLN CB C 17 29.661 29.661 27.710 1.951 17894 2763 1 11 . 1 1 17 17 GLN H H 17 9.544 9.544 9.014 0.530 17894 2764 1 11 . 1 1 18 18 SER N N 18 112.998 112.998 114.499 -1.501 17894 2765 1 11 . 1 1 18 18 SER H H 18 8.985 8.985 8.678 0.307 17894 2766 1 11 . 1 1 19 19 GLU N N 19 124.112 124.112 121.894 2.218 17894 2767 1 11 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.059 0.047 17894 2768 1 11 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.223 1.290 17894 2769 1 11 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.159 1.280 17894 2770 1 11 . 1 1 19 19 GLU H H 19 8.349 8.349 7.950 0.399 17894 2771 1 11 . 1 1 20 20 LEU N N 20 119.955 119.955 121.875 -1.920 17894 2772 1 11 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.830 0.296 17894 2773 1 11 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.397 -0.005 17894 2774 1 11 . 1 1 20 20 LEU H H 20 8.321 8.321 8.242 0.079 17894 2775 1 11 . 1 1 21 21 ALA N N 21 119.830 119.830 121.161 -1.331 17894 2776 1 11 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.872 -0.163 17894 2777 1 11 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.075 1.197 17894 2778 1 11 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.046 -0.311 17894 2779 1 11 . 1 1 21 21 ALA H H 21 8.595 8.595 8.813 -0.218 17894 2780 1 11 . 1 1 22 22 ALA N N 22 117.258 117.258 121.221 -3.963 17894 2781 1 11 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.968 0.295 17894 2782 1 11 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.789 0.720 17894 2783 1 11 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.476 0.054 17894 2784 1 11 . 1 1 22 22 ALA H H 22 7.818 7.818 7.883 -0.065 17894 2785 1 11 . 1 1 23 23 LEU N N 23 118.586 118.586 117.894 0.692 17894 2786 1 11 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.657 0.303 17894 2787 1 11 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.611 1.389 17894 2788 1 11 . 1 1 23 23 LEU H H 23 7.537 7.537 7.697 -0.160 17894 2789 1 11 . 1 1 24 24 LEU N N 24 114.488 114.488 114.998 -0.510 17894 2790 1 11 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.179 0.084 17894 2791 1 11 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.287 -0.593 17894 2792 1 11 . 1 1 24 24 LEU H H 24 7.448 7.448 7.946 -0.498 17894 2793 1 11 . 1 1 25 25 GLU N N 25 114.895 114.895 112.540 2.355 17894 2794 1 11 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.981 -0.016 17894 2795 1 11 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.230 0.818 17894 2796 1 11 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.548 0.345 17894 2797 1 11 . 1 1 25 25 GLU H H 25 8.028 8.028 8.357 -0.329 17894 2798 1 11 . 1 1 26 26 VAL N N 26 109.697 109.697 113.903 -4.206 17894 2799 1 11 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.502 0.371 17894 2800 1 11 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.404 -0.223 17894 2801 1 11 . 1 1 26 26 VAL H H 26 7.990 7.990 7.530 0.460 17894 2802 1 11 . 1 1 27 27 SER N N 27 114.369 114.369 115.600 -1.231 17894 2803 1 11 . 1 1 27 27 SER HA H 27 4.643 4.643 4.532 0.111 17894 2804 1 11 . 1 1 27 27 SER CA C 27 57.345 57.345 58.974 -1.629 17894 2805 1 11 . 1 1 27 27 SER CB C 27 63.110 63.110 63.767 -0.657 17894 2806 1 11 . 1 1 27 27 SER H H 27 8.633 8.633 8.355 0.278 17894 2807 1 11 . 1 1 28 28 ARG N N 28 115.276 115.276 126.652 -11.376 17894 2808 1 11 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.910 -0.182 17894 2809 1 11 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.425 0.333 17894 2810 1 11 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.018 -0.068 17894 2811 1 11 . 1 1 28 28 ARG H H 28 8.236 8.236 8.930 -0.694 17894 2812 1 11 . 1 1 29 29 GLN N N 29 117.309 117.309 117.891 -0.582 17894 2813 1 11 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.078 0.075 17894 2814 1 11 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.540 0.473 17894 2815 1 11 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.850 0.618 17894 2816 1 11 . 1 1 29 29 GLN H H 29 8.835 8.835 8.889 -0.054 17894 2817 1 11 . 1 1 30 30 THR N N 30 119.984 119.984 114.356 5.628 17894 2818 1 11 . 1 1 30 30 THR HA H 30 4.418 4.418 4.007 0.411 17894 2819 1 11 . 1 1 30 30 THR CA C 30 68.600 68.600 65.544 3.056 17894 2820 1 11 . 1 1 30 30 THR CB C 30 67.556 67.556 68.552 -0.996 17894 2821 1 11 . 1 1 30 30 THR H H 30 8.136 8.136 7.400 0.736 17894 2822 1 11 . 1 1 31 31 ILE N N 31 118.828 118.828 122.397 -3.569 17894 2823 1 11 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.711 0.074 17894 2824 1 11 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.446 -1.517 17894 2825 1 11 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.893 -0.916 17894 2826 1 11 . 1 1 31 31 ILE H H 31 7.162 7.162 7.543 -0.381 17894 2827 1 11 . 1 1 32 32 ASN N N 32 118.028 118.028 118.260 -0.232 17894 2828 1 11 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.716 -0.386 17894 2829 1 11 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.468 2.727 17894 2830 1 11 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.527 2.618 17894 2831 1 11 . 1 1 32 32 ASN H H 32 8.668 8.668 8.935 -0.267 17894 2832 1 11 . 1 1 33 33 GLY N N 33 124.941 124.941 109.734 15.207 17894 2833 1 11 . 1 1 33 33 GLY H H 33 8.656 8.656 8.045 0.611 17894 2834 1 11 . 1 1 34 34 ILE N N 34 122.198 122.198 122.997 -0.799 17894 2835 1 11 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.717 0.567 17894 2836 1 11 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.560 0.980 17894 2837 1 11 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.949 1.237 17894 2838 1 11 . 1 1 34 34 ILE H H 34 8.205 8.205 8.144 0.061 17894 2839 1 11 . 1 1 35 35 GLU N N 35 120.651 120.651 117.033 3.618 17894 2840 1 11 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.290 -0.077 17894 2841 1 11 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.396 2.196 17894 2842 1 11 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.483 0.269 17894 2843 1 11 . 1 1 35 35 GLU H H 35 8.592 8.592 7.857 0.735 17894 2844 1 11 . 1 1 36 36 LYS N N 36 115.995 115.995 118.365 -2.370 17894 2845 1 11 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.038 0.464 17894 2846 1 11 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.881 -2.597 17894 2847 1 11 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.244 -0.405 17894 2848 1 11 . 1 1 36 36 LYS H H 36 8.111 8.111 7.570 0.541 17894 2849 1 11 . 1 1 37 37 ASN N N 37 114.563 114.563 109.292 5.271 17894 2850 1 11 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.699 0.049 17894 2851 1 11 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.229 2.459 17894 2852 1 11 . 1 1 37 37 ASN CB C 37 37.804 37.804 40.086 -2.282 17894 2853 1 11 . 1 1 37 37 ASN H H 37 8.223 8.223 8.283 -0.060 17894 2854 1 11 . 1 1 38 38 LYS N N 38 115.051 115.051 122.032 -6.981 17894 2855 1 11 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.224 0.197 17894 2856 1 11 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.823 1.173 17894 2857 1 11 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.816 0.320 17894 2858 1 11 . 1 1 38 38 LYS H H 38 8.734 8.734 8.154 0.580 17894 2859 1 11 . 1 1 39 39 TYR N N 39 116.976 116.976 118.745 -1.769 17894 2860 1 11 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.324 0.285 17894 2861 1 11 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.398 -1.021 17894 2862 1 11 . 1 1 39 39 TYR H H 39 7.089 7.089 8.422 -1.333 17894 2863 1 11 . 1 1 40 40 ASN N N 40 123.607 123.607 121.077 2.530 17894 2864 1 11 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.058 1.318 17894 2865 1 11 . 1 1 40 40 ASN H H 40 8.862 8.862 8.465 0.397 17894 2866 1 11 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.473 -0.684 17894 2867 1 11 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.602 0.868 17894 2868 1 11 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.249 0.212 17894 2869 1 11 . 1 1 42 42 SER N N 42 125.650 125.650 114.536 11.114 17894 2870 1 11 . 1 1 42 42 SER HA H 42 4.556 4.556 4.357 0.199 17894 2871 1 11 . 1 1 42 42 SER CA C 42 58.198 58.198 58.252 -0.054 17894 2872 1 11 . 1 1 42 42 SER H H 42 8.056 8.056 8.209 -0.153 17894 2873 1 11 . 1 1 43 43 LEU N N 43 120.689 120.689 124.388 -3.699 17894 2874 1 11 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.994 -0.081 17894 2875 1 11 . 1 1 43 43 LEU CA C 43 59.245 59.245 57.892 1.353 17894 2876 1 11 . 1 1 43 43 LEU H H 43 9.296 9.296 8.647 0.649 17894 2877 1 11 . 1 1 44 44 GLN N N 44 115.960 115.960 119.366 -3.406 17894 2878 1 11 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.123 -0.426 17894 2879 1 11 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.950 1.922 17894 2880 1 11 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.362 0.788 17894 2881 1 11 . 1 1 44 44 GLN H H 44 8.915 8.915 8.529 0.386 17894 2882 1 11 . 1 1 45 45 LEU N N 45 119.431 119.431 120.116 -0.685 17894 2883 1 11 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.101 -0.208 17894 2884 1 11 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.979 -2.455 17894 2885 1 11 . 1 1 45 45 LEU H H 45 8.093 8.093 8.117 -0.024 17894 2886 1 11 . 1 1 46 46 ALA N N 46 120.497 120.497 122.515 -2.018 17894 2887 1 11 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.074 -0.040 17894 2888 1 11 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.345 1.156 17894 2889 1 11 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.120 2.533 17894 2890 1 11 . 1 1 46 46 ALA H H 46 8.512 8.512 8.331 0.181 17894 2891 1 11 . 1 1 47 47 LEU N N 47 116.461 116.461 119.183 -2.722 17894 2892 1 11 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.864 0.350 17894 2893 1 11 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.316 0.085 17894 2894 1 11 . 1 1 47 47 LEU H H 47 8.675 8.675 8.934 -0.259 17894 2895 1 11 . 1 1 48 48 LYS N N 48 120.970 120.970 119.795 1.175 17894 2896 1 11 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.152 -0.572 17894 2897 1 11 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.992 0.735 17894 2898 1 11 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.472 0.696 17894 2899 1 11 . 1 1 48 48 LYS H H 48 8.053 8.053 8.460 -0.407 17894 2900 1 11 . 1 1 49 49 ILE N N 49 120.407 120.407 120.294 0.113 17894 2901 1 11 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.794 -0.196 17894 2902 1 11 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.764 3.338 17894 2903 1 11 . 1 1 49 49 ILE H H 49 8.783 8.783 8.385 0.398 17894 2904 1 11 . 1 1 50 50 ALA N N 50 120.445 120.445 122.830 -2.385 17894 2905 1 11 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.306 -0.236 17894 2906 1 11 . 1 1 50 50 ALA CA C 50 56.400 56.400 54.928 1.472 17894 2907 1 11 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.731 0.174 17894 2908 1 11 . 1 1 50 50 ALA H H 50 8.182 8.182 8.815 -0.633 17894 2909 1 11 . 1 1 51 51 TYR N N 51 117.070 117.070 119.983 -2.913 17894 2910 1 11 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.146 0.207 17894 2911 1 11 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.447 -0.094 17894 2912 1 11 . 1 1 51 51 TYR H H 51 8.170 8.170 8.979 -0.809 17894 2913 1 11 . 1 1 52 52 TYR N N 52 118.548 118.548 118.787 -0.239 17894 2914 1 11 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.172 0.132 17894 2915 1 11 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.731 3.077 17894 2916 1 11 . 1 1 52 52 TYR H H 52 9.079 9.079 8.079 1.000 17894 2917 1 11 . 1 1 53 53 LEU N N 53 115.427 115.427 117.378 -1.951 17894 2918 1 11 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.164 0.372 17894 2919 1 11 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.728 -0.684 17894 2920 1 11 . 1 1 53 53 LEU H H 53 8.417 8.417 7.772 0.645 17894 2921 1 11 . 1 1 54 54 ASN N N 54 122.105 122.105 116.183 5.922 17894 2922 1 11 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.359 0.090 17894 2923 1 11 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.895 0.796 17894 2924 1 11 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.829 1.802 17894 2925 1 11 . 1 1 54 54 ASN H H 54 8.090 8.090 7.774 0.316 17894 2926 1 11 . 1 1 55 55 THR N N 55 114.929 114.929 114.948 -0.019 17894 2927 1 11 . 1 1 55 55 THR HA H 55 4.933 4.933 4.641 0.292 17894 2928 1 11 . 1 1 55 55 THR CA C 55 60.962 60.962 60.216 0.746 17894 2929 1 11 . 1 1 55 55 THR CB C 55 75.743 75.743 71.578 4.165 17894 2930 1 11 . 1 1 55 55 THR H H 55 8.255 8.255 8.496 -0.241 17894 2931 1 11 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.561 0.035 17894 2932 1 11 . 1 1 56 56 PRO CA C 56 63.604 63.604 63.056 0.548 17894 2933 1 11 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.419 0.500 17894 2934 1 11 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.147 -0.077 17894 2935 1 11 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.441 2.180 17894 2936 1 11 . 1 1 58 58 GLU N N 58 123.143 123.143 118.277 4.866 17894 2937 1 11 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.105 0.769 17894 2938 1 11 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.634 -0.135 17894 2939 1 11 . 1 1 58 58 GLU H H 58 9.365 9.365 8.780 0.585 17894 2940 1 11 . 1 1 59 59 ASP N N 59 117.681 117.681 119.569 -1.888 17894 2941 1 11 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.478 0.145 17894 2942 1 11 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.840 -0.378 17894 2943 1 11 . 1 1 59 59 ASP CB C 59 40.891 40.891 41.072 -0.181 17894 2944 1 11 . 1 1 59 59 ASP H H 59 8.014 8.014 7.837 0.177 17894 2945 1 11 . 1 1 60 60 ILE N N 60 119.519 119.519 112.490 7.029 17894 2946 1 11 . 1 1 60 60 ILE H H 60 8.209 8.209 7.523 0.686 17894 2947 1 11 . 1 1 61 61 PHE N N 61 115.960 115.960 118.374 -2.414 17894 2948 1 11 . 1 1 61 61 PHE H H 61 8.532 8.532 8.202 0.330 17894 2949 1 11 . 1 1 62 62 GLN N N 62 116.724 116.724 118.179 -1.455 17894 2950 1 11 . 1 1 62 62 GLN H H 62 8.752 8.752 7.951 0.801 17894 2951 1 11 . 1 1 63 63 TRP N N 63 125.611 125.611 127.498 -1.887 17894 2952 1 11 . 1 1 63 63 TRP H H 63 9.476 9.476 8.825 0.651 17894 2953 1 11 . 1 1 64 64 GLN N N 64 127.087 127.087 124.891 2.196 17894 2954 1 11 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.271 -0.092 17894 2955 1 11 . 1 1 64 64 GLN CA C 64 52.402 52.402 54.950 -2.548 17894 2956 1 11 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.593 2.980 17894 2957 1 11 . 1 1 64 64 GLN H H 64 7.989 7.989 8.033 -0.044 17894 2958 1 11 . 1 1 65 65 PRO HA H 65 4.682 4.682 3.851 0.831 17894 2959 1 11 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.027 -1.513 17894 2960 1 12 . 1 1 2 2 ILE N N 2 123.202 123.202 121.444 1.758 17894 2961 1 12 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.473 0.559 17894 2962 1 12 . 1 1 2 2 ILE H H 2 9.148 9.148 7.639 1.509 17894 2963 1 12 . 1 1 3 3 ILE N N 3 108.681 108.681 127.662 -18.981 17894 2964 1 12 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.250 0.180 17894 2965 1 12 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.379 1.532 17894 2966 1 12 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.538 3.017 17894 2967 1 12 . 1 1 3 3 ILE H H 3 9.416 9.416 8.257 1.159 17894 2968 1 12 . 1 1 4 4 ASN N N 4 123.966 123.966 127.295 -3.329 17894 2969 1 12 . 1 1 4 4 ASN H H 4 9.081 9.081 8.722 0.359 17894 2970 1 12 . 1 1 5 5 ASN N N 5 120.745 120.745 123.295 -2.550 17894 2971 1 12 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.850 0.579 17894 2972 1 12 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.001 0.355 17894 2973 1 12 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.602 2.111 17894 2974 1 12 . 1 1 5 5 ASN H H 5 9.369 9.369 9.097 0.272 17894 2975 1 12 . 1 1 6 6 LEU N N 6 120.594 120.594 123.032 -2.438 17894 2976 1 12 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.731 0.035 17894 2977 1 12 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.606 1.993 17894 2978 1 12 . 1 1 6 6 LEU H H 6 8.538 8.538 7.682 0.856 17894 2979 1 12 . 1 1 7 7 LYS N N 7 118.177 118.177 117.110 1.067 17894 2980 1 12 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.000 -0.092 17894 2981 1 12 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.088 2.218 17894 2982 1 12 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.345 1.858 17894 2983 1 12 . 1 1 7 7 LYS H H 7 8.940 8.940 8.165 0.775 17894 2984 1 12 . 1 1 8 8 LEU N N 8 116.356 116.356 120.271 -3.915 17894 2985 1 12 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.142 0.030 17894 2986 1 12 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.065 1.225 17894 2987 1 12 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.637 2.291 17894 2988 1 12 . 1 1 8 8 LEU H H 8 7.687 7.687 7.699 -0.012 17894 2989 1 12 . 1 1 9 9 ILE N N 9 119.134 119.134 119.593 -0.459 17894 2990 1 12 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.686 0.127 17894 2991 1 12 . 1 1 9 9 ILE CA C 9 63.858 63.858 63.657 0.201 17894 2992 1 12 . 1 1 9 9 ILE CB C 9 37.830 37.830 36.880 0.951 17894 2993 1 12 . 1 1 9 9 ILE H H 9 8.225 8.225 8.063 0.162 17894 2994 1 12 . 1 1 10 10 ARG N N 10 120.162 120.162 121.057 -0.895 17894 2995 1 12 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.829 0.050 17894 2996 1 12 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.812 1.856 17894 2997 1 12 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.148 -0.749 17894 2998 1 12 . 1 1 10 10 ARG H H 10 9.259 9.259 8.814 0.445 17894 2999 1 12 . 1 1 11 11 GLU N N 11 115.878 115.878 118.372 -2.494 17894 3000 1 12 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.074 0.098 17894 3001 1 12 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.046 1.240 17894 3002 1 12 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.146 0.668 17894 3003 1 12 . 1 1 11 11 GLU H H 11 8.703 8.703 8.994 -0.291 17894 3004 1 12 . 1 1 12 12 LYS N N 12 122.935 122.935 121.444 1.491 17894 3005 1 12 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.022 0.184 17894 3006 1 12 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.097 1.178 17894 3007 1 12 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.499 0.399 17894 3008 1 12 . 1 1 12 12 LYS H H 12 8.256 8.256 8.302 -0.046 17894 3009 1 12 . 1 1 13 13 LYS N N 13 116.350 116.350 115.458 0.892 17894 3010 1 12 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.421 -0.125 17894 3011 1 12 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.396 0.535 17894 3012 1 12 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.656 -0.207 17894 3013 1 12 . 1 1 13 13 LYS H H 13 7.813 7.813 7.621 0.192 17894 3014 1 12 . 1 1 14 14 LYS N N 14 115.317 115.317 116.130 -0.813 17894 3015 1 12 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.964 -0.001 17894 3016 1 12 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.773 1.015 17894 3017 1 12 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.629 -0.581 17894 3018 1 12 . 1 1 14 14 LYS H H 14 8.068 8.068 7.941 0.127 17894 3019 1 12 . 1 1 15 15 ILE N N 15 118.373 118.373 119.669 -1.296 17894 3020 1 12 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.152 0.460 17894 3021 1 12 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.433 0.625 17894 3022 1 12 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.880 3.916 17894 3023 1 12 . 1 1 15 15 ILE H H 15 7.573 7.573 8.609 -1.036 17894 3024 1 12 . 1 1 16 16 SER N N 16 125.057 125.057 120.728 4.329 17894 3025 1 12 . 1 1 16 16 SER HA H 16 4.566 4.566 4.490 0.076 17894 3026 1 12 . 1 1 16 16 SER CA C 16 57.781 57.781 57.979 -0.198 17894 3027 1 12 . 1 1 16 16 SER H H 16 9.457 9.457 9.553 -0.096 17894 3028 1 12 . 1 1 17 17 GLN N N 17 120.197 120.197 126.319 -6.122 17894 3029 1 12 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.067 -0.289 17894 3030 1 12 . 1 1 17 17 GLN CA C 17 62.662 62.662 58.982 3.680 17894 3031 1 12 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.680 0.981 17894 3032 1 12 . 1 1 17 17 GLN H H 17 9.544 9.544 9.001 0.543 17894 3033 1 12 . 1 1 18 18 SER N N 18 112.998 112.998 114.476 -1.478 17894 3034 1 12 . 1 1 18 18 SER H H 18 8.985 8.985 7.735 1.250 17894 3035 1 12 . 1 1 19 19 GLU N N 19 124.112 124.112 122.601 1.511 17894 3036 1 12 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.100 0.006 17894 3037 1 12 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.810 0.703 17894 3038 1 12 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.091 1.348 17894 3039 1 12 . 1 1 19 19 GLU H H 19 8.349 8.349 7.784 0.565 17894 3040 1 12 . 1 1 20 20 LEU N N 20 119.955 119.955 117.782 2.173 17894 3041 1 12 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.119 0.007 17894 3042 1 12 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.412 0.980 17894 3043 1 12 . 1 1 20 20 LEU H H 20 8.321 8.321 7.515 0.806 17894 3044 1 12 . 1 1 21 21 ALA N N 21 119.830 119.830 122.688 -2.858 17894 3045 1 12 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.869 -0.160 17894 3046 1 12 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.056 1.216 17894 3047 1 12 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.891 -0.156 17894 3048 1 12 . 1 1 21 21 ALA H H 21 8.595 8.595 7.654 0.941 17894 3049 1 12 . 1 1 22 22 ALA N N 22 117.258 117.258 121.369 -4.111 17894 3050 1 12 . 1 1 22 22 ALA HA H 22 4.263 4.263 4.012 0.251 17894 3051 1 12 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.684 0.825 17894 3052 1 12 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.412 0.118 17894 3053 1 12 . 1 1 22 22 ALA H H 22 7.818 7.818 7.647 0.171 17894 3054 1 12 . 1 1 23 23 LEU N N 23 118.586 118.586 118.797 -0.211 17894 3055 1 12 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.702 0.258 17894 3056 1 12 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.053 0.947 17894 3057 1 12 . 1 1 23 23 LEU H H 23 7.537 7.537 7.921 -0.384 17894 3058 1 12 . 1 1 24 24 LEU N N 24 114.488 114.488 113.673 0.815 17894 3059 1 12 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.274 -0.011 17894 3060 1 12 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.621 1.073 17894 3061 1 12 . 1 1 24 24 LEU H H 24 7.448 7.448 8.082 -0.634 17894 3062 1 12 . 1 1 25 25 GLU N N 25 114.895 114.895 114.370 0.525 17894 3063 1 12 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.923 0.042 17894 3064 1 12 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.366 0.682 17894 3065 1 12 . 1 1 25 25 GLU CB C 25 27.893 27.893 26.424 1.469 17894 3066 1 12 . 1 1 25 25 GLU H H 25 8.028 8.028 7.632 0.396 17894 3067 1 12 . 1 1 26 26 VAL N N 26 109.697 109.697 112.878 -3.181 17894 3068 1 12 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.560 0.313 17894 3069 1 12 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.453 -0.272 17894 3070 1 12 . 1 1 26 26 VAL H H 26 7.990 7.990 7.926 0.064 17894 3071 1 12 . 1 1 27 27 SER N N 27 114.369 114.369 116.577 -2.208 17894 3072 1 12 . 1 1 27 27 SER HA H 27 4.643 4.643 4.466 0.177 17894 3073 1 12 . 1 1 27 27 SER CA C 27 57.345 57.345 57.749 -0.404 17894 3074 1 12 . 1 1 27 27 SER CB C 27 63.110 63.110 64.316 -1.206 17894 3075 1 12 . 1 1 27 27 SER H H 27 8.633 8.633 8.494 0.139 17894 3076 1 12 . 1 1 28 28 ARG N N 28 115.276 115.276 127.624 -12.348 17894 3077 1 12 . 1 1 28 28 ARG HA H 28 3.728 3.728 4.007 -0.279 17894 3078 1 12 . 1 1 28 28 ARG CA C 28 60.758 60.758 59.798 0.960 17894 3079 1 12 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.185 -0.235 17894 3080 1 12 . 1 1 28 28 ARG H H 28 8.236 8.236 8.983 -0.747 17894 3081 1 12 . 1 1 29 29 GLN N N 29 117.309 117.309 118.345 -1.036 17894 3082 1 12 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.025 0.128 17894 3083 1 12 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.554 0.459 17894 3084 1 12 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.741 0.727 17894 3085 1 12 . 1 1 29 29 GLN H H 29 8.835 8.835 8.017 0.818 17894 3086 1 12 . 1 1 30 30 THR N N 30 119.984 119.984 115.532 4.452 17894 3087 1 12 . 1 1 30 30 THR HA H 30 4.418 4.418 4.038 0.380 17894 3088 1 12 . 1 1 30 30 THR CA C 30 68.600 68.600 65.602 2.998 17894 3089 1 12 . 1 1 30 30 THR CB C 30 67.556 67.556 68.142 -0.586 17894 3090 1 12 . 1 1 30 30 THR H H 30 8.136 8.136 7.301 0.835 17894 3091 1 12 . 1 1 31 31 ILE N N 31 118.828 118.828 122.445 -3.617 17894 3092 1 12 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.745 0.040 17894 3093 1 12 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.624 -1.695 17894 3094 1 12 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.877 -0.900 17894 3095 1 12 . 1 1 31 31 ILE H H 31 7.162 7.162 7.863 -0.701 17894 3096 1 12 . 1 1 32 32 ASN N N 32 118.028 118.028 118.254 -0.226 17894 3097 1 12 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.663 -0.333 17894 3098 1 12 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.736 2.459 17894 3099 1 12 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.453 2.692 17894 3100 1 12 . 1 1 32 32 ASN H H 32 8.668 8.668 8.991 -0.323 17894 3101 1 12 . 1 1 33 33 GLY N N 33 124.941 124.941 109.389 15.552 17894 3102 1 12 . 1 1 33 33 GLY H H 33 8.656 8.656 8.023 0.633 17894 3103 1 12 . 1 1 34 34 ILE N N 34 122.198 122.198 122.803 -0.605 17894 3104 1 12 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.670 0.614 17894 3105 1 12 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.581 0.959 17894 3106 1 12 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.951 1.235 17894 3107 1 12 . 1 1 34 34 ILE H H 34 8.205 8.205 7.536 0.669 17894 3108 1 12 . 1 1 35 35 GLU N N 35 120.651 120.651 117.643 3.008 17894 3109 1 12 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.162 0.051 17894 3110 1 12 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.737 1.855 17894 3111 1 12 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.370 0.382 17894 3112 1 12 . 1 1 35 35 GLU H H 35 8.592 8.592 7.651 0.941 17894 3113 1 12 . 1 1 36 36 LYS N N 36 115.995 115.995 118.143 -2.148 17894 3114 1 12 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.080 0.422 17894 3115 1 12 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.742 -1.458 17894 3116 1 12 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.767 0.072 17894 3117 1 12 . 1 1 36 36 LYS H H 36 8.111 8.111 7.606 0.505 17894 3118 1 12 . 1 1 37 37 ASN N N 37 114.563 114.563 109.315 5.248 17894 3119 1 12 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.600 0.148 17894 3120 1 12 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.014 2.674 17894 3121 1 12 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.834 -1.030 17894 3122 1 12 . 1 1 37 37 ASN H H 37 8.223 8.223 8.276 -0.053 17894 3123 1 12 . 1 1 38 38 LYS N N 38 115.051 115.051 122.324 -7.273 17894 3124 1 12 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.115 0.306 17894 3125 1 12 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.021 0.975 17894 3126 1 12 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.227 0.909 17894 3127 1 12 . 1 1 38 38 LYS H H 38 8.734 8.734 8.104 0.630 17894 3128 1 12 . 1 1 39 39 TYR N N 39 116.976 116.976 118.845 -1.869 17894 3129 1 12 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.314 0.295 17894 3130 1 12 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.591 -1.214 17894 3131 1 12 . 1 1 39 39 TYR H H 39 7.089 7.089 8.030 -0.941 17894 3132 1 12 . 1 1 40 40 ASN N N 40 123.607 123.607 120.504 3.103 17894 3133 1 12 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.945 0.431 17894 3134 1 12 . 1 1 40 40 ASN H H 40 8.862 8.862 8.390 0.472 17894 3135 1 12 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.468 -0.679 17894 3136 1 12 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.694 0.776 17894 3137 1 12 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.325 0.136 17894 3138 1 12 . 1 1 42 42 SER N N 42 125.650 125.650 114.997 10.653 17894 3139 1 12 . 1 1 42 42 SER HA H 42 4.556 4.556 4.232 0.324 17894 3140 1 12 . 1 1 42 42 SER CA C 42 58.198 58.198 58.090 0.108 17894 3141 1 12 . 1 1 42 42 SER H H 42 8.056 8.056 8.110 -0.054 17894 3142 1 12 . 1 1 43 43 LEU N N 43 120.689 120.689 123.774 -3.085 17894 3143 1 12 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.892 0.021 17894 3144 1 12 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.010 1.235 17894 3145 1 12 . 1 1 43 43 LEU H H 43 9.296 9.296 8.675 0.621 17894 3146 1 12 . 1 1 44 44 GLN N N 44 115.960 115.960 118.807 -2.847 17894 3147 1 12 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.010 -0.313 17894 3148 1 12 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.961 1.911 17894 3149 1 12 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.539 0.611 17894 3150 1 12 . 1 1 44 44 GLN H H 44 8.915 8.915 7.952 0.963 17894 3151 1 12 . 1 1 45 45 LEU N N 45 119.431 119.431 120.178 -0.747 17894 3152 1 12 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.048 -0.156 17894 3153 1 12 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.825 -2.301 17894 3154 1 12 . 1 1 45 45 LEU H H 45 8.093 8.093 7.986 0.107 17894 3155 1 12 . 1 1 46 46 ALA N N 46 120.497 120.497 122.280 -1.783 17894 3156 1 12 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.027 0.007 17894 3157 1 12 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.296 1.205 17894 3158 1 12 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.240 2.413 17894 3159 1 12 . 1 1 46 46 ALA H H 46 8.512 8.512 8.747 -0.235 17894 3160 1 12 . 1 1 47 47 LEU N N 47 116.461 116.461 119.080 -2.619 17894 3161 1 12 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.822 0.392 17894 3162 1 12 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.137 0.264 17894 3163 1 12 . 1 1 47 47 LEU H H 47 8.675 8.675 8.822 -0.147 17894 3164 1 12 . 1 1 48 48 LYS N N 48 120.970 120.970 119.929 1.041 17894 3165 1 12 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.100 -0.520 17894 3166 1 12 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.190 0.537 17894 3167 1 12 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.401 0.767 17894 3168 1 12 . 1 1 48 48 LYS H H 48 8.053 8.053 8.485 -0.432 17894 3169 1 12 . 1 1 49 49 ILE N N 49 120.407 120.407 120.366 0.041 17894 3170 1 12 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.771 -0.173 17894 3171 1 12 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.043 3.059 17894 3172 1 12 . 1 1 49 49 ILE H H 49 8.783 8.783 8.292 0.491 17894 3173 1 12 . 1 1 50 50 ALA N N 50 120.445 120.445 123.363 -2.918 17894 3174 1 12 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.308 -0.238 17894 3175 1 12 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.028 1.372 17894 3176 1 12 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.524 0.381 17894 3177 1 12 . 1 1 50 50 ALA H H 50 8.182 8.182 8.448 -0.266 17894 3178 1 12 . 1 1 51 51 TYR N N 51 117.070 117.070 118.959 -1.889 17894 3179 1 12 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.140 0.213 17894 3180 1 12 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.742 0.611 17894 3181 1 12 . 1 1 51 51 TYR H H 51 8.170 8.170 8.753 -0.583 17894 3182 1 12 . 1 1 52 52 TYR N N 52 118.548 118.548 116.251 2.297 17894 3183 1 12 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.392 -0.088 17894 3184 1 12 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.278 2.530 17894 3185 1 12 . 1 1 52 52 TYR H H 52 9.079 9.079 8.494 0.585 17894 3186 1 12 . 1 1 53 53 LEU N N 53 115.427 115.427 117.809 -2.382 17894 3187 1 12 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.211 0.325 17894 3188 1 12 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.098 -1.054 17894 3189 1 12 . 1 1 53 53 LEU H H 53 8.417 8.417 8.364 0.053 17894 3190 1 12 . 1 1 54 54 ASN N N 54 122.105 122.105 116.556 5.549 17894 3191 1 12 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.508 -0.059 17894 3192 1 12 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.402 0.289 17894 3193 1 12 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.898 1.733 17894 3194 1 12 . 1 1 54 54 ASN H H 54 8.090 8.090 8.159 -0.069 17894 3195 1 12 . 1 1 55 55 THR N N 55 114.929 114.929 114.933 -0.004 17894 3196 1 12 . 1 1 55 55 THR HA H 55 4.933 4.933 4.791 0.142 17894 3197 1 12 . 1 1 55 55 THR CA C 55 60.962 60.962 60.799 0.163 17894 3198 1 12 . 1 1 55 55 THR CB C 55 75.743 75.743 71.676 4.067 17894 3199 1 12 . 1 1 55 55 THR H H 55 8.255 8.255 7.827 0.428 17894 3200 1 12 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.599 -0.003 17894 3201 1 12 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.768 0.836 17894 3202 1 12 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.415 0.504 17894 3203 1 12 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.079 -0.009 17894 3204 1 12 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.620 2.002 17894 3205 1 12 . 1 1 58 58 GLU N N 58 123.143 123.143 117.886 5.257 17894 3206 1 12 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.205 0.669 17894 3207 1 12 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.535 -0.036 17894 3208 1 12 . 1 1 58 58 GLU H H 58 9.365 9.365 8.812 0.553 17894 3209 1 12 . 1 1 59 59 ASP N N 59 117.681 117.681 118.988 -1.307 17894 3210 1 12 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.481 0.142 17894 3211 1 12 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.277 0.185 17894 3212 1 12 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.969 -0.078 17894 3213 1 12 . 1 1 59 59 ASP H H 59 8.014 8.014 7.669 0.345 17894 3214 1 12 . 1 1 60 60 ILE N N 60 119.519 119.519 113.064 6.455 17894 3215 1 12 . 1 1 60 60 ILE H H 60 8.209 8.209 7.521 0.688 17894 3216 1 12 . 1 1 61 61 PHE N N 61 115.960 115.960 118.424 -2.464 17894 3217 1 12 . 1 1 61 61 PHE H H 61 8.532 8.532 8.498 0.034 17894 3218 1 12 . 1 1 62 62 GLN N N 62 116.724 116.724 124.728 -8.004 17894 3219 1 12 . 1 1 62 62 GLN H H 62 8.752 8.752 8.320 0.432 17894 3220 1 12 . 1 1 63 63 TRP N N 63 125.611 125.611 129.015 -3.404 17894 3221 1 12 . 1 1 63 63 TRP H H 63 9.476 9.476 8.642 0.834 17894 3222 1 12 . 1 1 64 64 GLN N N 64 127.087 127.087 128.724 -1.637 17894 3223 1 12 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.810 -0.631 17894 3224 1 12 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.231 -0.829 17894 3225 1 12 . 1 1 64 64 GLN CB C 64 31.573 31.573 30.100 1.473 17894 3226 1 12 . 1 1 64 64 GLN H H 64 7.989 7.989 8.450 -0.461 17894 3227 1 12 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.466 0.216 17894 3228 1 12 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.343 -0.829 17894 3229 1 13 . 1 1 2 2 ILE N N 2 123.202 123.202 121.067 2.135 17894 3230 1 13 . 1 1 2 2 ILE CB C 2 40.032 40.032 40.456 -0.423 17894 3231 1 13 . 1 1 2 2 ILE H H 2 9.148 9.148 7.945 1.203 17894 3232 1 13 . 1 1 3 3 ILE N N 3 108.681 108.681 129.112 -20.431 17894 3233 1 13 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.115 0.315 17894 3234 1 13 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.668 1.243 17894 3235 1 13 . 1 1 3 3 ILE CB C 3 39.555 39.555 34.665 4.890 17894 3236 1 13 . 1 1 3 3 ILE H H 3 9.416 9.416 8.949 0.467 17894 3237 1 13 . 1 1 4 4 ASN N N 4 123.966 123.966 124.862 -0.896 17894 3238 1 13 . 1 1 4 4 ASN H H 4 9.081 9.081 8.806 0.275 17894 3239 1 13 . 1 1 5 5 ASN N N 5 120.745 120.745 118.005 2.740 17894 3240 1 13 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.668 0.761 17894 3241 1 13 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.377 -0.021 17894 3242 1 13 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.548 3.165 17894 3243 1 13 . 1 1 5 5 ASN H H 5 9.369 9.369 8.903 0.466 17894 3244 1 13 . 1 1 6 6 LEU N N 6 120.594 120.594 122.280 -1.686 17894 3245 1 13 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.860 -0.094 17894 3246 1 13 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.827 2.772 17894 3247 1 13 . 1 1 6 6 LEU H H 6 8.538 8.538 8.263 0.275 17894 3248 1 13 . 1 1 7 7 LYS N N 7 118.177 118.177 118.120 0.057 17894 3249 1 13 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.937 -0.029 17894 3250 1 13 . 1 1 7 7 LYS CA C 7 61.306 61.306 58.988 2.318 17894 3251 1 13 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.670 2.533 17894 3252 1 13 . 1 1 7 7 LYS H H 7 8.940 8.940 8.346 0.594 17894 3253 1 13 . 1 1 8 8 LEU N N 8 116.356 116.356 120.155 -3.799 17894 3254 1 13 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.176 -0.004 17894 3255 1 13 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.892 1.398 17894 3256 1 13 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.573 2.355 17894 3257 1 13 . 1 1 8 8 LEU H H 8 7.687 7.687 7.566 0.121 17894 3258 1 13 . 1 1 9 9 ILE N N 9 119.134 119.134 119.155 -0.021 17894 3259 1 13 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.597 0.216 17894 3260 1 13 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.504 -1.647 17894 3261 1 13 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.375 0.455 17894 3262 1 13 . 1 1 9 9 ILE H H 9 8.225 8.225 7.761 0.464 17894 3263 1 13 . 1 1 10 10 ARG N N 10 120.162 120.162 120.854 -0.692 17894 3264 1 13 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.873 0.006 17894 3265 1 13 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.381 2.287 17894 3266 1 13 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.618 -0.219 17894 3267 1 13 . 1 1 10 10 ARG H H 10 9.259 9.259 8.424 0.835 17894 3268 1 13 . 1 1 11 11 GLU N N 11 115.878 115.878 119.143 -3.265 17894 3269 1 13 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.088 0.084 17894 3270 1 13 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.960 1.326 17894 3271 1 13 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.227 0.587 17894 3272 1 13 . 1 1 11 11 GLU H H 11 8.703 8.703 8.846 -0.143 17894 3273 1 13 . 1 1 12 12 LYS N N 12 122.935 122.935 121.690 1.245 17894 3274 1 13 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.000 0.206 17894 3275 1 13 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.191 1.084 17894 3276 1 13 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.486 0.411 17894 3277 1 13 . 1 1 12 12 LYS H H 12 8.256 8.256 8.501 -0.245 17894 3278 1 13 . 1 1 13 13 LYS N N 13 116.350 116.350 115.252 1.098 17894 3279 1 13 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.417 -0.121 17894 3280 1 13 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.441 0.491 17894 3281 1 13 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.652 -0.203 17894 3282 1 13 . 1 1 13 13 LYS H H 13 7.813 7.813 7.579 0.234 17894 3283 1 13 . 1 1 14 14 LYS N N 14 115.317 115.317 116.115 -0.798 17894 3284 1 13 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.956 0.007 17894 3285 1 13 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.778 1.010 17894 3286 1 13 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.625 -0.577 17894 3287 1 13 . 1 1 14 14 LYS H H 14 8.068 8.068 8.166 -0.098 17894 3288 1 13 . 1 1 15 15 ILE N N 15 118.373 118.373 119.983 -1.610 17894 3289 1 13 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.289 0.323 17894 3290 1 13 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.478 1.580 17894 3291 1 13 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.329 3.467 17894 3292 1 13 . 1 1 15 15 ILE H H 15 7.573 7.573 8.729 -1.156 17894 3293 1 13 . 1 1 16 16 SER N N 16 125.057 125.057 123.066 1.991 17894 3294 1 13 . 1 1 16 16 SER HA H 16 4.566 4.566 4.607 -0.041 17894 3295 1 13 . 1 1 16 16 SER CA C 16 57.781 57.781 58.494 -0.713 17894 3296 1 13 . 1 1 16 16 SER H H 16 9.457 9.457 9.750 -0.293 17894 3297 1 13 . 1 1 17 17 GLN N N 17 120.197 120.197 125.269 -5.072 17894 3298 1 13 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.051 -0.273 17894 3299 1 13 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.682 2.980 17894 3300 1 13 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.227 1.434 17894 3301 1 13 . 1 1 17 17 GLN H H 17 9.544 9.544 9.045 0.499 17894 3302 1 13 . 1 1 18 18 SER N N 18 112.998 112.998 115.158 -2.160 17894 3303 1 13 . 1 1 18 18 SER H H 18 8.985 8.985 8.701 0.284 17894 3304 1 13 . 1 1 19 19 GLU N N 19 124.112 124.112 122.273 1.839 17894 3305 1 13 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.094 0.012 17894 3306 1 13 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.897 0.616 17894 3307 1 13 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.904 1.535 17894 3308 1 13 . 1 1 19 19 GLU H H 19 8.349 8.349 8.424 -0.075 17894 3309 1 13 . 1 1 20 20 LEU N N 20 119.955 119.955 121.220 -1.265 17894 3310 1 13 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.997 0.129 17894 3311 1 13 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.765 0.627 17894 3312 1 13 . 1 1 20 20 LEU H H 20 8.321 8.321 8.152 0.169 17894 3313 1 13 . 1 1 21 21 ALA N N 21 119.830 119.830 121.102 -1.272 17894 3314 1 13 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.896 -0.187 17894 3315 1 13 . 1 1 21 21 ALA CA C 21 56.272 56.272 54.933 1.339 17894 3316 1 13 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.203 -0.468 17894 3317 1 13 . 1 1 21 21 ALA H H 21 8.595 8.595 8.461 0.134 17894 3318 1 13 . 1 1 22 22 ALA N N 22 117.258 117.258 121.153 -3.895 17894 3319 1 13 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.949 0.314 17894 3320 1 13 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.860 0.649 17894 3321 1 13 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.448 0.082 17894 3322 1 13 . 1 1 22 22 ALA H H 22 7.818 7.818 8.048 -0.230 17894 3323 1 13 . 1 1 23 23 LEU N N 23 118.586 118.586 117.942 0.644 17894 3324 1 13 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.822 0.138 17894 3325 1 13 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.817 1.183 17894 3326 1 13 . 1 1 23 23 LEU H H 23 7.537 7.537 7.546 -0.009 17894 3327 1 13 . 1 1 24 24 LEU N N 24 114.488 114.488 113.986 0.502 17894 3328 1 13 . 1 1 24 24 LEU HA H 24 4.263 4.263 3.935 0.328 17894 3329 1 13 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.875 -0.181 17894 3330 1 13 . 1 1 24 24 LEU H H 24 7.448 7.448 7.558 -0.110 17894 3331 1 13 . 1 1 25 25 GLU N N 25 114.895 114.895 112.096 2.799 17894 3332 1 13 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.965 -0.000 17894 3333 1 13 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.123 0.925 17894 3334 1 13 . 1 1 25 25 GLU CB C 25 27.893 27.893 28.444 -0.551 17894 3335 1 13 . 1 1 25 25 GLU H H 25 8.028 8.028 7.946 0.082 17894 3336 1 13 . 1 1 26 26 VAL N N 26 109.697 109.697 114.626 -4.929 17894 3337 1 13 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.436 0.437 17894 3338 1 13 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.551 -0.370 17894 3339 1 13 . 1 1 26 26 VAL H H 26 7.990 7.990 7.534 0.456 17894 3340 1 13 . 1 1 27 27 SER N N 27 114.369 114.369 117.142 -2.773 17894 3341 1 13 . 1 1 27 27 SER HA H 27 4.643 4.643 4.426 0.217 17894 3342 1 13 . 1 1 27 27 SER CA C 27 57.345 57.345 58.697 -1.352 17894 3343 1 13 . 1 1 27 27 SER CB C 27 63.110 63.110 63.976 -0.866 17894 3344 1 13 . 1 1 27 27 SER H H 27 8.633 8.633 8.370 0.263 17894 3345 1 13 . 1 1 28 28 ARG N N 28 115.276 115.276 125.233 -9.957 17894 3346 1 13 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.884 -0.156 17894 3347 1 13 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.073 0.685 17894 3348 1 13 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.921 0.029 17894 3349 1 13 . 1 1 28 28 ARG H H 28 8.236 8.236 8.925 -0.689 17894 3350 1 13 . 1 1 29 29 GLN N N 29 117.309 117.309 115.736 1.573 17894 3351 1 13 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.085 0.068 17894 3352 1 13 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.041 0.972 17894 3353 1 13 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.371 1.097 17894 3354 1 13 . 1 1 29 29 GLN H H 29 8.835 8.835 8.926 -0.091 17894 3355 1 13 . 1 1 30 30 THR N N 30 119.984 119.984 116.237 3.747 17894 3356 1 13 . 1 1 30 30 THR HA H 30 4.418 4.418 3.954 0.464 17894 3357 1 13 . 1 1 30 30 THR CA C 30 68.600 68.600 65.982 2.618 17894 3358 1 13 . 1 1 30 30 THR CB C 30 67.556 67.556 68.363 -0.807 17894 3359 1 13 . 1 1 30 30 THR H H 30 8.136 8.136 7.365 0.771 17894 3360 1 13 . 1 1 31 31 ILE N N 31 118.828 118.828 121.848 -3.020 17894 3361 1 13 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.783 0.002 17894 3362 1 13 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.584 -1.655 17894 3363 1 13 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.870 -0.893 17894 3364 1 13 . 1 1 31 31 ILE H H 31 7.162 7.162 7.437 -0.275 17894 3365 1 13 . 1 1 32 32 ASN N N 32 118.028 118.028 118.175 -0.147 17894 3366 1 13 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.533 -0.203 17894 3367 1 13 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.491 2.704 17894 3368 1 13 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.591 2.554 17894 3369 1 13 . 1 1 32 32 ASN H H 32 8.668 8.668 8.398 0.270 17894 3370 1 13 . 1 1 33 33 GLY N N 33 124.941 124.941 109.341 15.600 17894 3371 1 13 . 1 1 33 33 GLY H H 33 8.656 8.656 8.334 0.322 17894 3372 1 13 . 1 1 34 34 ILE N N 34 122.198 122.198 123.243 -1.045 17894 3373 1 13 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.740 0.544 17894 3374 1 13 . 1 1 34 34 ILE CA C 34 65.540 65.540 65.031 0.509 17894 3375 1 13 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.948 1.238 17894 3376 1 13 . 1 1 34 34 ILE H H 34 8.205 8.205 8.317 -0.112 17894 3377 1 13 . 1 1 35 35 GLU N N 35 120.651 120.651 119.572 1.079 17894 3378 1 13 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.153 0.060 17894 3379 1 13 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.562 2.030 17894 3380 1 13 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.242 0.510 17894 3381 1 13 . 1 1 35 35 GLU H H 35 8.592 8.592 7.928 0.664 17894 3382 1 13 . 1 1 36 36 LYS N N 36 115.995 115.995 119.770 -3.775 17894 3383 1 13 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.113 0.389 17894 3384 1 13 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.494 -2.210 17894 3385 1 13 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.441 -0.602 17894 3386 1 13 . 1 1 36 36 LYS H H 36 8.111 8.111 8.110 0.001 17894 3387 1 13 . 1 1 37 37 ASN N N 37 114.563 114.563 112.781 1.782 17894 3388 1 13 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.666 0.082 17894 3389 1 13 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.158 2.530 17894 3390 1 13 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.266 -0.462 17894 3391 1 13 . 1 1 37 37 ASN H H 37 8.223 8.223 8.612 -0.389 17894 3392 1 13 . 1 1 38 38 LYS N N 38 115.051 115.051 121.529 -6.478 17894 3393 1 13 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.428 -0.007 17894 3394 1 13 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.189 2.807 17894 3395 1 13 . 1 1 38 38 LYS CB C 38 34.136 34.136 35.013 -0.877 17894 3396 1 13 . 1 1 38 38 LYS H H 38 8.734 8.734 7.558 1.176 17894 3397 1 13 . 1 1 39 39 TYR N N 39 116.976 116.976 119.656 -2.680 17894 3398 1 13 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.395 0.214 17894 3399 1 13 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.622 -0.245 17894 3400 1 13 . 1 1 39 39 TYR H H 39 7.089 7.089 7.703 -0.614 17894 3401 1 13 . 1 1 40 40 ASN N N 40 123.607 123.607 123.008 0.599 17894 3402 1 13 . 1 1 40 40 ASN CB C 40 39.376 39.376 39.254 0.122 17894 3403 1 13 . 1 1 40 40 ASN H H 40 8.862 8.862 8.538 0.324 17894 3404 1 13 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.565 -0.776 17894 3405 1 13 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.612 0.858 17894 3406 1 13 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.495 -0.034 17894 3407 1 13 . 1 1 42 42 SER N N 42 125.650 125.650 114.749 10.901 17894 3408 1 13 . 1 1 42 42 SER HA H 42 4.556 4.556 4.348 0.208 17894 3409 1 13 . 1 1 42 42 SER CA C 42 58.198 58.198 57.772 0.426 17894 3410 1 13 . 1 1 42 42 SER H H 42 8.056 8.056 8.121 -0.065 17894 3411 1 13 . 1 1 43 43 LEU N N 43 120.689 120.689 119.746 0.943 17894 3412 1 13 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.949 -0.036 17894 3413 1 13 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.363 0.882 17894 3414 1 13 . 1 1 43 43 LEU H H 43 9.296 9.296 8.681 0.615 17894 3415 1 13 . 1 1 44 44 GLN N N 44 115.960 115.960 119.288 -3.328 17894 3416 1 13 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.099 -0.402 17894 3417 1 13 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.924 1.948 17894 3418 1 13 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.170 0.980 17894 3419 1 13 . 1 1 44 44 GLN H H 44 8.915 8.915 8.592 0.323 17894 3420 1 13 . 1 1 45 45 LEU N N 45 119.431 119.431 121.484 -2.053 17894 3421 1 13 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.104 -0.212 17894 3422 1 13 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.655 -2.131 17894 3423 1 13 . 1 1 45 45 LEU H H 45 8.093 8.093 7.477 0.616 17894 3424 1 13 . 1 1 46 46 ALA N N 46 120.497 120.497 122.782 -2.285 17894 3425 1 13 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.178 -0.144 17894 3426 1 13 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.574 0.927 17894 3427 1 13 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.217 2.436 17894 3428 1 13 . 1 1 46 46 ALA H H 46 8.512 8.512 8.767 -0.255 17894 3429 1 13 . 1 1 47 47 LEU N N 47 116.461 116.461 118.983 -2.522 17894 3430 1 13 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.879 0.335 17894 3431 1 13 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.294 0.107 17894 3432 1 13 . 1 1 47 47 LEU H H 47 8.675 8.675 8.885 -0.210 17894 3433 1 13 . 1 1 48 48 LYS N N 48 120.970 120.970 120.383 0.587 17894 3434 1 13 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.330 -0.750 17894 3435 1 13 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.191 0.536 17894 3436 1 13 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.534 0.634 17894 3437 1 13 . 1 1 48 48 LYS H H 48 8.053 8.053 8.461 -0.408 17894 3438 1 13 . 1 1 49 49 ILE N N 49 120.407 120.407 120.828 -0.421 17894 3439 1 13 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.742 -0.144 17894 3440 1 13 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.638 2.464 17894 3441 1 13 . 1 1 49 49 ILE H H 49 8.783 8.783 8.719 0.064 17894 3442 1 13 . 1 1 50 50 ALA N N 50 120.445 120.445 123.407 -2.962 17894 3443 1 13 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.143 -0.073 17894 3444 1 13 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.266 1.134 17894 3445 1 13 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.360 0.545 17894 3446 1 13 . 1 1 50 50 ALA H H 50 8.182 8.182 8.953 -0.771 17894 3447 1 13 . 1 1 51 51 TYR N N 51 117.070 117.070 120.654 -3.584 17894 3448 1 13 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.076 0.277 17894 3449 1 13 . 1 1 51 51 TYR CA C 51 62.353 62.353 60.861 1.492 17894 3450 1 13 . 1 1 51 51 TYR H H 51 8.170 8.170 8.875 -0.705 17894 3451 1 13 . 1 1 52 52 TYR N N 52 118.548 118.548 116.412 2.136 17894 3452 1 13 . 1 1 52 52 TYR HA H 52 4.304 4.304 3.842 0.462 17894 3453 1 13 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.384 2.424 17894 3454 1 13 . 1 1 52 52 TYR H H 52 9.079 9.079 8.519 0.560 17894 3455 1 13 . 1 1 53 53 LEU N N 53 115.427 115.427 117.621 -2.194 17894 3456 1 13 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.197 0.339 17894 3457 1 13 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.630 -0.586 17894 3458 1 13 . 1 1 53 53 LEU H H 53 8.417 8.417 8.328 0.089 17894 3459 1 13 . 1 1 54 54 ASN N N 54 122.105 122.105 116.229 5.876 17894 3460 1 13 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.514 -0.065 17894 3461 1 13 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.534 0.157 17894 3462 1 13 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.524 2.107 17894 3463 1 13 . 1 1 54 54 ASN H H 54 8.090 8.090 8.050 0.040 17894 3464 1 13 . 1 1 55 55 THR N N 55 114.929 114.929 115.550 -0.621 17894 3465 1 13 . 1 1 55 55 THR HA H 55 4.933 4.933 4.713 0.220 17894 3466 1 13 . 1 1 55 55 THR CA C 55 60.962 60.962 60.297 0.665 17894 3467 1 13 . 1 1 55 55 THR CB C 55 75.743 75.743 71.563 4.180 17894 3468 1 13 . 1 1 55 55 THR H H 55 8.255 8.255 8.231 0.024 17894 3469 1 13 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.537 0.059 17894 3470 1 13 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.739 0.865 17894 3471 1 13 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.380 0.539 17894 3472 1 13 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.120 -0.050 17894 3473 1 13 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.655 1.967 17894 3474 1 13 . 1 1 58 58 GLU N N 58 123.143 123.143 119.160 3.983 17894 3475 1 13 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.254 0.620 17894 3476 1 13 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.293 0.206 17894 3477 1 13 . 1 1 58 58 GLU H H 58 9.365 9.365 8.583 0.782 17894 3478 1 13 . 1 1 59 59 ASP N N 59 117.681 117.681 117.597 0.084 17894 3479 1 13 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.416 0.207 17894 3480 1 13 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.426 0.036 17894 3481 1 13 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.675 0.216 17894 3482 1 13 . 1 1 59 59 ASP H H 59 8.014 8.014 8.031 -0.017 17894 3483 1 13 . 1 1 60 60 ILE N N 60 119.519 119.519 113.567 5.952 17894 3484 1 13 . 1 1 60 60 ILE H H 60 8.209 8.209 7.466 0.743 17894 3485 1 13 . 1 1 61 61 PHE N N 61 115.960 115.960 117.924 -1.964 17894 3486 1 13 . 1 1 61 61 PHE H H 61 8.532 8.532 8.266 0.266 17894 3487 1 13 . 1 1 62 62 GLN N N 62 116.724 116.724 123.134 -6.410 17894 3488 1 13 . 1 1 62 62 GLN H H 62 8.752 8.752 8.595 0.157 17894 3489 1 13 . 1 1 63 63 TRP N N 63 125.611 125.611 123.656 1.955 17894 3490 1 13 . 1 1 63 63 TRP H H 63 9.476 9.476 8.546 0.930 17894 3491 1 13 . 1 1 64 64 GLN N N 64 127.087 127.087 126.957 0.130 17894 3492 1 13 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.769 -0.590 17894 3493 1 13 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.654 -0.252 17894 3494 1 13 . 1 1 64 64 GLN CB C 64 31.573 31.573 30.580 0.993 17894 3495 1 13 . 1 1 64 64 GLN H H 64 7.989 7.989 8.482 -0.493 17894 3496 1 13 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.158 0.524 17894 3497 1 13 . 1 1 65 65 PRO CA C 65 62.514 62.514 62.822 -0.308 17894 3498 1 14 . 1 1 2 2 ILE N N 2 123.202 123.202 121.152 2.050 17894 3499 1 14 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.213 1.819 17894 3500 1 14 . 1 1 2 2 ILE H H 2 9.148 9.148 7.969 1.179 17894 3501 1 14 . 1 1 3 3 ILE N N 3 108.681 108.681 115.270 -6.589 17894 3502 1 14 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.867 0.563 17894 3503 1 14 . 1 1 3 3 ILE CA C 3 60.911 60.911 61.604 -0.693 17894 3504 1 14 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.255 2.300 17894 3505 1 14 . 1 1 3 3 ILE H H 3 9.416 9.416 7.898 1.518 17894 3506 1 14 . 1 1 4 4 ASN N N 4 123.966 123.966 121.210 2.756 17894 3507 1 14 . 1 1 4 4 ASN H H 4 9.081 9.081 8.655 0.426 17894 3508 1 14 . 1 1 5 5 ASN N N 5 120.745 120.745 119.661 1.084 17894 3509 1 14 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.850 0.579 17894 3510 1 14 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.643 -0.287 17894 3511 1 14 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.827 1.886 17894 3512 1 14 . 1 1 5 5 ASN H H 5 9.369 9.369 8.149 1.220 17894 3513 1 14 . 1 1 6 6 LEU N N 6 120.594 120.594 122.185 -1.591 17894 3514 1 14 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.857 -0.091 17894 3515 1 14 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.374 2.225 17894 3516 1 14 . 1 1 6 6 LEU H H 6 8.538 8.538 7.831 0.707 17894 3517 1 14 . 1 1 7 7 LYS N N 7 118.177 118.177 118.031 0.146 17894 3518 1 14 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.973 -0.065 17894 3519 1 14 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.108 2.198 17894 3520 1 14 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.092 2.111 17894 3521 1 14 . 1 1 7 7 LYS H H 7 8.940 8.940 8.252 0.688 17894 3522 1 14 . 1 1 8 8 LEU N N 8 116.356 116.356 120.470 -4.114 17894 3523 1 14 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.075 0.097 17894 3524 1 14 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.968 1.322 17894 3525 1 14 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.560 2.368 17894 3526 1 14 . 1 1 8 8 LEU H H 8 7.687 7.687 7.294 0.393 17894 3527 1 14 . 1 1 9 9 ILE N N 9 119.134 119.134 119.386 -0.252 17894 3528 1 14 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.648 0.165 17894 3529 1 14 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.118 -1.260 17894 3530 1 14 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.379 0.451 17894 3531 1 14 . 1 1 9 9 ILE H H 9 8.225 8.225 7.529 0.696 17894 3532 1 14 . 1 1 10 10 ARG N N 10 120.162 120.162 120.513 -0.351 17894 3533 1 14 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.865 0.014 17894 3534 1 14 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.685 1.983 17894 3535 1 14 . 1 1 10 10 ARG CB C 10 29.399 29.399 29.976 -0.577 17894 3536 1 14 . 1 1 10 10 ARG H H 10 9.259 9.259 8.079 1.180 17894 3537 1 14 . 1 1 11 11 GLU N N 11 115.878 115.878 118.604 -2.726 17894 3538 1 14 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.010 0.162 17894 3539 1 14 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.779 1.506 17894 3540 1 14 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.481 0.333 17894 3541 1 14 . 1 1 11 11 GLU H H 11 8.703 8.703 8.697 0.006 17894 3542 1 14 . 1 1 12 12 LYS N N 12 122.935 122.935 117.941 4.994 17894 3543 1 14 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.047 0.159 17894 3544 1 14 . 1 1 12 12 LYS CA C 12 60.275 60.275 58.608 1.667 17894 3545 1 14 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.683 0.215 17894 3546 1 14 . 1 1 12 12 LYS H H 12 8.256 8.256 8.199 0.057 17894 3547 1 14 . 1 1 13 13 LYS N N 13 116.350 116.350 115.578 0.772 17894 3548 1 14 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.386 -0.090 17894 3549 1 14 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.977 -0.046 17894 3550 1 14 . 1 1 13 13 LYS CB C 13 32.449 32.449 33.123 -0.674 17894 3551 1 14 . 1 1 13 13 LYS H H 13 7.813 7.813 7.623 0.190 17894 3552 1 14 . 1 1 14 14 LYS N N 14 115.317 115.317 116.007 -0.690 17894 3553 1 14 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.994 -0.031 17894 3554 1 14 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.687 1.101 17894 3555 1 14 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.851 -0.803 17894 3556 1 14 . 1 1 14 14 LYS H H 14 8.068 8.068 7.812 0.256 17894 3557 1 14 . 1 1 15 15 ILE N N 15 118.373 118.373 119.412 -1.039 17894 3558 1 14 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.241 0.371 17894 3559 1 14 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.846 1.212 17894 3560 1 14 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.466 3.330 17894 3561 1 14 . 1 1 15 15 ILE H H 15 7.573 7.573 8.542 -0.969 17894 3562 1 14 . 1 1 16 16 SER N N 16 125.057 125.057 119.152 5.905 17894 3563 1 14 . 1 1 16 16 SER HA H 16 4.566 4.566 4.489 0.077 17894 3564 1 14 . 1 1 16 16 SER CA C 16 57.781 57.781 57.820 -0.039 17894 3565 1 14 . 1 1 16 16 SER H H 16 9.457 9.457 9.172 0.285 17894 3566 1 14 . 1 1 17 17 GLN N N 17 120.197 120.197 126.548 -6.351 17894 3567 1 14 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.053 -0.275 17894 3568 1 14 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.172 3.490 17894 3569 1 14 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.693 0.968 17894 3570 1 14 . 1 1 17 17 GLN H H 17 9.544 9.544 9.118 0.426 17894 3571 1 14 . 1 1 18 18 SER N N 18 112.998 112.998 115.776 -2.778 17894 3572 1 14 . 1 1 18 18 SER H H 18 8.985 8.985 7.881 1.104 17894 3573 1 14 . 1 1 19 19 GLU N N 19 124.112 124.112 121.779 2.333 17894 3574 1 14 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.114 -0.008 17894 3575 1 14 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.890 0.623 17894 3576 1 14 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.909 1.530 17894 3577 1 14 . 1 1 19 19 GLU H H 19 8.349 8.349 8.419 -0.070 17894 3578 1 14 . 1 1 20 20 LEU N N 20 119.955 119.955 121.664 -1.709 17894 3579 1 14 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.968 0.158 17894 3580 1 14 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.936 0.456 17894 3581 1 14 . 1 1 20 20 LEU H H 20 8.321 8.321 8.027 0.294 17894 3582 1 14 . 1 1 21 21 ALA N N 21 119.830 119.830 120.422 -0.592 17894 3583 1 14 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.963 -0.254 17894 3584 1 14 . 1 1 21 21 ALA CA C 21 56.272 56.272 54.723 1.549 17894 3585 1 14 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.291 -0.556 17894 3586 1 14 . 1 1 21 21 ALA H H 21 8.595 8.595 8.209 0.386 17894 3587 1 14 . 1 1 22 22 ALA N N 22 117.258 117.258 121.708 -4.450 17894 3588 1 14 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.960 0.303 17894 3589 1 14 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.857 0.652 17894 3590 1 14 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.515 0.015 17894 3591 1 14 . 1 1 22 22 ALA H H 22 7.818 7.818 7.836 -0.018 17894 3592 1 14 . 1 1 23 23 LEU N N 23 118.586 118.586 117.031 1.555 17894 3593 1 14 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.880 0.080 17894 3594 1 14 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.653 1.347 17894 3595 1 14 . 1 1 23 23 LEU H H 23 7.537 7.537 7.611 -0.074 17894 3596 1 14 . 1 1 24 24 LEU N N 24 114.488 114.488 113.502 0.986 17894 3597 1 14 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.086 0.177 17894 3598 1 14 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.404 0.291 17894 3599 1 14 . 1 1 24 24 LEU H H 24 7.448 7.448 7.174 0.274 17894 3600 1 14 . 1 1 25 25 GLU N N 25 114.895 114.895 113.866 1.029 17894 3601 1 14 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.023 -0.058 17894 3602 1 14 . 1 1 25 25 GLU CA C 25 58.048 58.048 56.976 1.072 17894 3603 1 14 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.721 0.172 17894 3604 1 14 . 1 1 25 25 GLU H H 25 8.028 8.028 7.635 0.393 17894 3605 1 14 . 1 1 26 26 VAL N N 26 109.697 109.697 113.650 -3.953 17894 3606 1 14 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.494 0.379 17894 3607 1 14 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.626 -0.445 17894 3608 1 14 . 1 1 26 26 VAL H H 26 7.990 7.990 7.458 0.532 17894 3609 1 14 . 1 1 27 27 SER N N 27 114.369 114.369 116.321 -1.952 17894 3610 1 14 . 1 1 27 27 SER HA H 27 4.643 4.643 4.492 0.151 17894 3611 1 14 . 1 1 27 27 SER CA C 27 57.345 57.345 58.401 -1.056 17894 3612 1 14 . 1 1 27 27 SER CB C 27 63.110 63.110 63.740 -0.630 17894 3613 1 14 . 1 1 27 27 SER H H 27 8.633 8.633 8.368 0.265 17894 3614 1 14 . 1 1 28 28 ARG N N 28 115.276 115.276 126.173 -10.897 17894 3615 1 14 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.912 -0.184 17894 3616 1 14 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.356 0.402 17894 3617 1 14 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.093 -0.143 17894 3618 1 14 . 1 1 28 28 ARG H H 28 8.236 8.236 9.008 -0.772 17894 3619 1 14 . 1 1 29 29 GLN N N 29 117.309 117.309 117.688 -0.379 17894 3620 1 14 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.303 -0.150 17894 3621 1 14 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.173 0.840 17894 3622 1 14 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.373 1.095 17894 3623 1 14 . 1 1 29 29 GLN H H 29 8.835 8.835 8.921 -0.086 17894 3624 1 14 . 1 1 30 30 THR N N 30 119.984 119.984 114.008 5.976 17894 3625 1 14 . 1 1 30 30 THR HA H 30 4.418 4.418 4.090 0.328 17894 3626 1 14 . 1 1 30 30 THR CA C 30 68.600 68.600 65.535 3.065 17894 3627 1 14 . 1 1 30 30 THR CB C 30 67.556 67.556 68.654 -1.098 17894 3628 1 14 . 1 1 30 30 THR H H 30 8.136 8.136 7.786 0.350 17894 3629 1 14 . 1 1 31 31 ILE N N 31 118.828 118.828 122.139 -3.311 17894 3630 1 14 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.799 -0.014 17894 3631 1 14 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.696 -1.767 17894 3632 1 14 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.090 -1.113 17894 3633 1 14 . 1 1 31 31 ILE H H 31 7.162 7.162 7.908 -0.746 17894 3634 1 14 . 1 1 32 32 ASN N N 32 118.028 118.028 117.549 0.479 17894 3635 1 14 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.792 -0.462 17894 3636 1 14 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.812 3.383 17894 3637 1 14 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.468 2.677 17894 3638 1 14 . 1 1 32 32 ASN H H 32 8.668 8.668 8.983 -0.315 17894 3639 1 14 . 1 1 33 33 GLY N N 33 124.941 124.941 110.024 14.917 17894 3640 1 14 . 1 1 33 33 GLY H H 33 8.656 8.656 8.210 0.446 17894 3641 1 14 . 1 1 34 34 ILE N N 34 122.198 122.198 122.308 -0.110 17894 3642 1 14 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.595 0.689 17894 3643 1 14 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.523 1.017 17894 3644 1 14 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.096 1.090 17894 3645 1 14 . 1 1 34 34 ILE H H 34 8.205 8.205 7.792 0.413 17894 3646 1 14 . 1 1 35 35 GLU N N 35 120.651 120.651 118.420 2.231 17894 3647 1 14 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.110 0.103 17894 3648 1 14 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.798 1.794 17894 3649 1 14 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.042 0.710 17894 3650 1 14 . 1 1 35 35 GLU H H 35 8.592 8.592 7.805 0.787 17894 3651 1 14 . 1 1 36 36 LYS N N 36 115.995 115.995 118.009 -2.014 17894 3652 1 14 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.074 0.428 17894 3653 1 14 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.081 -1.798 17894 3654 1 14 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.087 -0.249 17894 3655 1 14 . 1 1 36 36 LYS H H 36 8.111 8.111 7.690 0.421 17894 3656 1 14 . 1 1 37 37 ASN N N 37 114.563 114.563 110.705 3.858 17894 3657 1 14 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.887 -0.139 17894 3658 1 14 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.041 2.647 17894 3659 1 14 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.101 -0.297 17894 3660 1 14 . 1 1 37 37 ASN H H 37 8.223 8.223 7.303 0.920 17894 3661 1 14 . 1 1 38 38 LYS N N 38 115.051 115.051 121.837 -6.786 17894 3662 1 14 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.423 -0.002 17894 3663 1 14 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.231 2.765 17894 3664 1 14 . 1 1 38 38 LYS CB C 38 34.136 34.136 34.879 -0.743 17894 3665 1 14 . 1 1 38 38 LYS H H 38 8.734 8.734 9.203 -0.469 17894 3666 1 14 . 1 1 39 39 TYR N N 39 116.976 116.976 118.248 -1.272 17894 3667 1 14 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.477 0.132 17894 3668 1 14 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.429 -1.052 17894 3669 1 14 . 1 1 39 39 TYR H H 39 7.089 7.089 6.895 0.194 17894 3670 1 14 . 1 1 40 40 ASN N N 40 123.607 123.607 121.091 2.516 17894 3671 1 14 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.602 0.774 17894 3672 1 14 . 1 1 40 40 ASN H H 40 8.862 8.862 8.419 0.443 17894 3673 1 14 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.518 -0.729 17894 3674 1 14 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.605 0.865 17894 3675 1 14 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.541 -0.080 17894 3676 1 14 . 1 1 42 42 SER N N 42 125.650 125.650 115.344 10.306 17894 3677 1 14 . 1 1 42 42 SER HA H 42 4.556 4.556 4.238 0.318 17894 3678 1 14 . 1 1 42 42 SER CA C 42 58.198 58.198 58.441 -0.243 17894 3679 1 14 . 1 1 42 42 SER H H 42 8.056 8.056 8.348 -0.292 17894 3680 1 14 . 1 1 43 43 LEU N N 43 120.689 120.689 126.477 -5.788 17894 3681 1 14 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.928 -0.015 17894 3682 1 14 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.462 0.783 17894 3683 1 14 . 1 1 43 43 LEU H H 43 9.296 9.296 8.703 0.593 17894 3684 1 14 . 1 1 44 44 GLN N N 44 115.960 115.960 119.547 -3.587 17894 3685 1 14 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.175 -0.478 17894 3686 1 14 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.817 2.055 17894 3687 1 14 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.578 0.572 17894 3688 1 14 . 1 1 44 44 GLN H H 44 8.915 8.915 8.463 0.452 17894 3689 1 14 . 1 1 45 45 LEU N N 45 119.431 119.431 120.517 -1.086 17894 3690 1 14 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.076 -0.184 17894 3691 1 14 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.859 -2.335 17894 3692 1 14 . 1 1 45 45 LEU H H 45 8.093 8.093 8.071 0.022 17894 3693 1 14 . 1 1 46 46 ALA N N 46 120.497 120.497 122.397 -1.900 17894 3694 1 14 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.063 -0.029 17894 3695 1 14 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.429 1.072 17894 3696 1 14 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.143 2.510 17894 3697 1 14 . 1 1 46 46 ALA H H 46 8.512 8.512 8.746 -0.234 17894 3698 1 14 . 1 1 47 47 LEU N N 47 116.461 116.461 118.770 -2.309 17894 3699 1 14 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.949 0.265 17894 3700 1 14 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.037 0.364 17894 3701 1 14 . 1 1 47 47 LEU H H 47 8.675 8.675 8.255 0.420 17894 3702 1 14 . 1 1 48 48 LYS N N 48 120.970 120.970 120.098 0.872 17894 3703 1 14 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.222 -0.642 17894 3704 1 14 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.021 0.706 17894 3705 1 14 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.485 0.683 17894 3706 1 14 . 1 1 48 48 LYS H H 48 8.053 8.053 8.073 -0.020 17894 3707 1 14 . 1 1 49 49 ILE N N 49 120.407 120.407 121.142 -0.735 17894 3708 1 14 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.772 -0.174 17894 3709 1 14 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.692 2.410 17894 3710 1 14 . 1 1 49 49 ILE H H 49 8.783 8.783 8.681 0.102 17894 3711 1 14 . 1 1 50 50 ALA N N 50 120.445 120.445 123.559 -3.114 17894 3712 1 14 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.187 -0.117 17894 3713 1 14 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.117 1.283 17894 3714 1 14 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.412 0.493 17894 3715 1 14 . 1 1 50 50 ALA H H 50 8.182 8.182 8.619 -0.437 17894 3716 1 14 . 1 1 51 51 TYR N N 51 117.070 117.070 119.045 -1.975 17894 3717 1 14 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.059 0.294 17894 3718 1 14 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.603 -0.250 17894 3719 1 14 . 1 1 51 51 TYR H H 51 8.170 8.170 8.347 -0.177 17894 3720 1 14 . 1 1 52 52 TYR N N 52 118.548 118.548 116.756 1.792 17894 3721 1 14 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.295 0.009 17894 3722 1 14 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.569 2.239 17894 3723 1 14 . 1 1 52 52 TYR H H 52 9.079 9.079 8.653 0.426 17894 3724 1 14 . 1 1 53 53 LEU N N 53 115.427 115.427 119.649 -4.222 17894 3725 1 14 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.205 0.331 17894 3726 1 14 . 1 1 53 53 LEU CA C 53 55.044 55.044 57.394 -2.350 17894 3727 1 14 . 1 1 53 53 LEU H H 53 8.417 8.417 8.525 -0.108 17894 3728 1 14 . 1 1 54 54 ASN N N 54 122.105 122.105 113.308 8.797 17894 3729 1 14 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.570 -0.121 17894 3730 1 14 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.366 1.325 17894 3731 1 14 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.687 1.944 17894 3732 1 14 . 1 1 54 54 ASN H H 54 8.090 8.090 8.217 -0.127 17894 3733 1 14 . 1 1 55 55 THR N N 55 114.929 114.929 114.544 0.385 17894 3734 1 14 . 1 1 55 55 THR HA H 55 4.933 4.933 4.584 0.349 17894 3735 1 14 . 1 1 55 55 THR CA C 55 60.962 60.962 60.305 0.657 17894 3736 1 14 . 1 1 55 55 THR CB C 55 75.743 75.743 71.791 3.952 17894 3737 1 14 . 1 1 55 55 THR H H 55 8.255 8.255 8.024 0.231 17894 3738 1 14 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.399 0.197 17894 3739 1 14 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.735 0.869 17894 3740 1 14 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.284 0.635 17894 3741 1 14 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.150 -0.080 17894 3742 1 14 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.370 2.252 17894 3743 1 14 . 1 1 58 58 GLU N N 58 123.143 123.143 117.298 5.845 17894 3744 1 14 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.348 0.526 17894 3745 1 14 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.369 0.130 17894 3746 1 14 . 1 1 58 58 GLU H H 58 9.365 9.365 8.800 0.565 17894 3747 1 14 . 1 1 59 59 ASP N N 59 117.681 117.681 120.295 -2.614 17894 3748 1 14 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.444 0.179 17894 3749 1 14 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.209 0.254 17894 3750 1 14 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.732 0.159 17894 3751 1 14 . 1 1 59 59 ASP H H 59 8.014 8.014 7.635 0.379 17894 3752 1 14 . 1 1 60 60 ILE N N 60 119.519 119.519 117.800 1.719 17894 3753 1 14 . 1 1 60 60 ILE H H 60 8.209 8.209 7.487 0.722 17894 3754 1 14 . 1 1 61 61 PHE N N 61 115.960 115.960 116.853 -0.893 17894 3755 1 14 . 1 1 61 61 PHE H H 61 8.532 8.532 8.515 0.017 17894 3756 1 14 . 1 1 62 62 GLN N N 62 116.724 116.724 122.649 -5.925 17894 3757 1 14 . 1 1 62 62 GLN H H 62 8.752 8.752 8.484 0.268 17894 3758 1 14 . 1 1 63 63 TRP N N 63 125.611 125.611 120.801 4.810 17894 3759 1 14 . 1 1 63 63 TRP H H 63 9.476 9.476 8.625 0.851 17894 3760 1 14 . 1 1 64 64 GLN N N 64 127.087 127.087 124.450 2.637 17894 3761 1 14 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.812 -0.633 17894 3762 1 14 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.390 -0.988 17894 3763 1 14 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.443 3.130 17894 3764 1 14 . 1 1 64 64 GLN H H 64 7.989 7.989 8.244 -0.255 17894 3765 1 14 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.339 0.343 17894 3766 1 14 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.466 -1.952 17894 3767 1 15 . 1 1 2 2 ILE N N 2 123.202 123.202 123.524 -0.322 17894 3768 1 15 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.651 1.381 17894 3769 1 15 . 1 1 2 2 ILE H H 2 9.148 9.148 7.920 1.228 17894 3770 1 15 . 1 1 3 3 ILE N N 3 108.681 108.681 127.551 -18.870 17894 3771 1 15 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.291 0.139 17894 3772 1 15 . 1 1 3 3 ILE CA C 3 60.911 60.911 60.190 0.721 17894 3773 1 15 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.971 0.584 17894 3774 1 15 . 1 1 3 3 ILE H H 3 9.416 9.416 8.594 0.822 17894 3775 1 15 . 1 1 4 4 ASN N N 4 123.966 123.966 126.718 -2.752 17894 3776 1 15 . 1 1 4 4 ASN H H 4 9.081 9.081 9.011 0.070 17894 3777 1 15 . 1 1 5 5 ASN N N 5 120.745 120.745 122.341 -1.596 17894 3778 1 15 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.735 0.694 17894 3779 1 15 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.211 0.145 17894 3780 1 15 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.410 2.303 17894 3781 1 15 . 1 1 5 5 ASN H H 5 9.369 9.369 8.777 0.592 17894 3782 1 15 . 1 1 6 6 LEU N N 6 120.594 120.594 124.288 -3.694 17894 3783 1 15 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.875 -0.109 17894 3784 1 15 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.745 2.853 17894 3785 1 15 . 1 1 6 6 LEU H H 6 8.538 8.538 7.936 0.602 17894 3786 1 15 . 1 1 7 7 LYS N N 7 118.177 118.177 118.557 -0.380 17894 3787 1 15 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.903 0.005 17894 3788 1 15 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.153 2.153 17894 3789 1 15 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.115 2.088 17894 3790 1 15 . 1 1 7 7 LYS H H 7 8.940 8.940 8.091 0.849 17894 3791 1 15 . 1 1 8 8 LEU N N 8 116.356 116.356 118.962 -2.606 17894 3792 1 15 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.147 0.025 17894 3793 1 15 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.076 1.214 17894 3794 1 15 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.611 2.317 17894 3795 1 15 . 1 1 8 8 LEU H H 8 7.687 7.687 7.673 0.014 17894 3796 1 15 . 1 1 9 9 ILE N N 9 119.134 119.134 117.821 1.313 17894 3797 1 15 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.619 0.194 17894 3798 1 15 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.827 -0.969 17894 3799 1 15 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.423 0.407 17894 3800 1 15 . 1 1 9 9 ILE H H 9 8.225 8.225 7.337 0.888 17894 3801 1 15 . 1 1 10 10 ARG N N 10 120.162 120.162 121.090 -0.928 17894 3802 1 15 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.886 -0.007 17894 3803 1 15 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.508 2.160 17894 3804 1 15 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.278 -0.879 17894 3805 1 15 . 1 1 10 10 ARG H H 10 9.259 9.259 8.562 0.697 17894 3806 1 15 . 1 1 11 11 GLU N N 11 115.878 115.878 118.648 -2.770 17894 3807 1 15 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.132 0.040 17894 3808 1 15 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.017 1.268 17894 3809 1 15 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.564 1.250 17894 3810 1 15 . 1 1 11 11 GLU H H 11 8.703 8.703 9.030 -0.327 17894 3811 1 15 . 1 1 12 12 LYS N N 12 122.935 122.935 120.955 1.980 17894 3812 1 15 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.019 0.187 17894 3813 1 15 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.093 1.182 17894 3814 1 15 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.453 0.445 17894 3815 1 15 . 1 1 12 12 LYS H H 12 8.256 8.256 7.849 0.407 17894 3816 1 15 . 1 1 13 13 LYS N N 13 116.350 116.350 115.619 0.731 17894 3817 1 15 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.311 -0.015 17894 3818 1 15 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.728 0.203 17894 3819 1 15 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.868 -0.419 17894 3820 1 15 . 1 1 13 13 LYS H H 13 7.813 7.813 7.586 0.227 17894 3821 1 15 . 1 1 14 14 LYS N N 14 115.317 115.317 115.811 -0.494 17894 3822 1 15 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.999 -0.036 17894 3823 1 15 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.717 1.071 17894 3824 1 15 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.881 -0.833 17894 3825 1 15 . 1 1 14 14 LYS H H 14 8.068 8.068 7.584 0.484 17894 3826 1 15 . 1 1 15 15 ILE N N 15 118.373 118.373 119.774 -1.401 17894 3827 1 15 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.157 0.455 17894 3828 1 15 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.324 0.734 17894 3829 1 15 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.794 4.002 17894 3830 1 15 . 1 1 15 15 ILE H H 15 7.573 7.573 8.418 -0.845 17894 3831 1 15 . 1 1 16 16 SER N N 16 125.057 125.057 121.879 3.178 17894 3832 1 15 . 1 1 16 16 SER HA H 16 4.566 4.566 4.419 0.147 17894 3833 1 15 . 1 1 16 16 SER CA C 16 57.781 57.781 58.404 -0.623 17894 3834 1 15 . 1 1 16 16 SER H H 16 9.457 9.457 9.737 -0.280 17894 3835 1 15 . 1 1 17 17 GLN N N 17 120.197 120.197 127.193 -6.996 17894 3836 1 15 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.124 -0.346 17894 3837 1 15 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.188 3.474 17894 3838 1 15 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.436 1.225 17894 3839 1 15 . 1 1 17 17 GLN H H 17 9.544 9.544 9.116 0.428 17894 3840 1 15 . 1 1 18 18 SER N N 18 112.998 112.998 115.560 -2.562 17894 3841 1 15 . 1 1 18 18 SER H H 18 8.985 8.985 8.012 0.973 17894 3842 1 15 . 1 1 19 19 GLU N N 19 124.112 124.112 121.931 2.181 17894 3843 1 15 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.080 0.026 17894 3844 1 15 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.774 0.739 17894 3845 1 15 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.921 1.518 17894 3846 1 15 . 1 1 19 19 GLU H H 19 8.349 8.349 8.330 0.019 17894 3847 1 15 . 1 1 20 20 LEU N N 20 119.955 119.955 121.868 -1.913 17894 3848 1 15 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.894 0.232 17894 3849 1 15 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.220 0.172 17894 3850 1 15 . 1 1 20 20 LEU H H 20 8.321 8.321 8.257 0.064 17894 3851 1 15 . 1 1 21 21 ALA N N 21 119.830 119.830 120.956 -1.126 17894 3852 1 15 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.905 -0.196 17894 3853 1 15 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.054 1.218 17894 3854 1 15 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.970 -0.235 17894 3855 1 15 . 1 1 21 21 ALA H H 21 8.595 8.595 8.773 -0.178 17894 3856 1 15 . 1 1 22 22 ALA N N 22 117.258 117.258 121.991 -4.733 17894 3857 1 15 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.955 0.308 17894 3858 1 15 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.817 0.692 17894 3859 1 15 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.454 0.076 17894 3860 1 15 . 1 1 22 22 ALA H H 22 7.818 7.818 7.977 -0.159 17894 3861 1 15 . 1 1 23 23 LEU N N 23 118.586 118.586 118.236 0.350 17894 3862 1 15 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.642 0.318 17894 3863 1 15 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.022 0.978 17894 3864 1 15 . 1 1 23 23 LEU H H 23 7.537 7.537 8.157 -0.620 17894 3865 1 15 . 1 1 24 24 LEU N N 24 114.488 114.488 116.093 -1.605 17894 3866 1 15 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.146 0.117 17894 3867 1 15 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.272 -0.578 17894 3868 1 15 . 1 1 24 24 LEU H H 24 7.448 7.448 8.028 -0.580 17894 3869 1 15 . 1 1 25 25 GLU N N 25 114.895 114.895 113.206 1.689 17894 3870 1 15 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.076 -0.111 17894 3871 1 15 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.088 0.960 17894 3872 1 15 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.150 0.743 17894 3873 1 15 . 1 1 25 25 GLU H H 25 8.028 8.028 8.005 0.023 17894 3874 1 15 . 1 1 26 26 VAL N N 26 109.697 109.697 113.286 -3.589 17894 3875 1 15 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.483 0.390 17894 3876 1 15 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.345 -0.164 17894 3877 1 15 . 1 1 26 26 VAL H H 26 7.990 7.990 7.863 0.127 17894 3878 1 15 . 1 1 27 27 SER N N 27 114.369 114.369 115.190 -0.821 17894 3879 1 15 . 1 1 27 27 SER HA H 27 4.643 4.643 4.482 0.161 17894 3880 1 15 . 1 1 27 27 SER CA C 27 57.345 57.345 58.152 -0.807 17894 3881 1 15 . 1 1 27 27 SER CB C 27 63.110 63.110 64.047 -0.937 17894 3882 1 15 . 1 1 27 27 SER H H 27 8.633 8.633 8.314 0.319 17894 3883 1 15 . 1 1 28 28 ARG N N 28 115.276 115.276 126.545 -11.269 17894 3884 1 15 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.921 -0.193 17894 3885 1 15 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.198 0.560 17894 3886 1 15 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.025 -0.075 17894 3887 1 15 . 1 1 28 28 ARG H H 28 8.236 8.236 8.984 -0.748 17894 3888 1 15 . 1 1 29 29 GLN N N 29 117.309 117.309 118.558 -1.249 17894 3889 1 15 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.266 -0.113 17894 3890 1 15 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.271 0.742 17894 3891 1 15 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.263 1.205 17894 3892 1 15 . 1 1 29 29 GLN H H 29 8.835 8.835 8.854 -0.019 17894 3893 1 15 . 1 1 30 30 THR N N 30 119.984 119.984 113.441 6.543 17894 3894 1 15 . 1 1 30 30 THR HA H 30 4.418 4.418 4.090 0.328 17894 3895 1 15 . 1 1 30 30 THR CA C 30 68.600 68.600 65.653 2.947 17894 3896 1 15 . 1 1 30 30 THR CB C 30 67.556 67.556 68.512 -0.956 17894 3897 1 15 . 1 1 30 30 THR H H 30 8.136 8.136 7.846 0.290 17894 3898 1 15 . 1 1 31 31 ILE N N 31 118.828 118.828 121.988 -3.160 17894 3899 1 15 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.778 0.007 17894 3900 1 15 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.748 -1.819 17894 3901 1 15 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.084 -1.107 17894 3902 1 15 . 1 1 31 31 ILE H H 31 7.162 7.162 7.726 -0.564 17894 3903 1 15 . 1 1 32 32 ASN N N 32 118.028 118.028 117.158 0.870 17894 3904 1 15 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.765 -0.435 17894 3905 1 15 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.708 3.487 17894 3906 1 15 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.602 2.543 17894 3907 1 15 . 1 1 32 32 ASN H H 32 8.668 8.668 8.965 -0.297 17894 3908 1 15 . 1 1 33 33 GLY N N 33 124.941 124.941 108.841 16.100 17894 3909 1 15 . 1 1 33 33 GLY H H 33 8.656 8.656 7.335 1.321 17894 3910 1 15 . 1 1 34 34 ILE N N 34 122.198 122.198 121.618 0.580 17894 3911 1 15 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.784 0.500 17894 3912 1 15 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.460 1.080 17894 3913 1 15 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.075 1.111 17894 3914 1 15 . 1 1 34 34 ILE H H 34 8.205 8.205 7.740 0.465 17894 3915 1 15 . 1 1 35 35 GLU N N 35 120.651 120.651 116.445 4.206 17894 3916 1 15 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.264 -0.051 17894 3917 1 15 . 1 1 35 35 GLU CA C 35 60.592 60.592 57.959 2.633 17894 3918 1 15 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.653 0.099 17894 3919 1 15 . 1 1 35 35 GLU H H 35 8.592 8.592 7.782 0.810 17894 3920 1 15 . 1 1 36 36 LYS N N 36 115.995 115.995 121.115 -5.120 17894 3921 1 15 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.196 0.306 17894 3922 1 15 . 1 1 36 36 LYS CA C 36 56.284 56.284 55.039 1.245 17894 3923 1 15 . 1 1 36 36 LYS CB C 36 32.839 32.839 30.097 2.742 17894 3924 1 15 . 1 1 36 36 LYS H H 36 8.111 8.111 7.478 0.633 17894 3925 1 15 . 1 1 37 37 ASN N N 37 114.563 114.563 116.625 -2.062 17894 3926 1 15 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.264 0.484 17894 3927 1 15 . 1 1 37 37 ASN CA C 37 55.688 55.688 55.004 0.684 17894 3928 1 15 . 1 1 37 37 ASN CB C 37 37.804 37.804 37.836 -0.032 17894 3929 1 15 . 1 1 37 37 ASN H H 37 8.223 8.223 8.464 -0.241 17894 3930 1 15 . 1 1 38 38 LYS N N 38 115.051 115.051 119.806 -4.755 17894 3931 1 15 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.074 0.347 17894 3932 1 15 . 1 1 38 38 LYS CA C 38 56.996 56.996 57.313 -0.317 17894 3933 1 15 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.413 0.723 17894 3934 1 15 . 1 1 38 38 LYS H H 38 8.734 8.734 7.399 1.335 17894 3935 1 15 . 1 1 39 39 TYR N N 39 116.976 116.976 113.632 3.344 17894 3936 1 15 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.776 -0.167 17894 3937 1 15 . 1 1 39 39 TYR CA C 39 56.377 56.377 54.065 2.312 17894 3938 1 15 . 1 1 39 39 TYR H H 39 7.089 7.089 7.174 -0.085 17894 3939 1 15 . 1 1 40 40 ASN N N 40 123.607 123.607 118.317 5.290 17894 3940 1 15 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.333 1.043 17894 3941 1 15 . 1 1 40 40 ASN H H 40 8.862 8.862 8.475 0.387 17894 3942 1 15 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.536 -0.747 17894 3943 1 15 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.534 0.936 17894 3944 1 15 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.596 -0.136 17894 3945 1 15 . 1 1 42 42 SER N N 42 125.650 125.650 114.836 10.814 17894 3946 1 15 . 1 1 42 42 SER HA H 42 4.556 4.556 4.234 0.322 17894 3947 1 15 . 1 1 42 42 SER CA C 42 58.198 58.198 58.409 -0.211 17894 3948 1 15 . 1 1 42 42 SER H H 42 8.056 8.056 8.216 -0.160 17894 3949 1 15 . 1 1 43 43 LEU N N 43 120.689 120.689 125.249 -4.560 17894 3950 1 15 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.869 0.044 17894 3951 1 15 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.514 0.731 17894 3952 1 15 . 1 1 43 43 LEU H H 43 9.296 9.296 8.746 0.550 17894 3953 1 15 . 1 1 44 44 GLN N N 44 115.960 115.960 118.653 -2.693 17894 3954 1 15 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.088 -0.391 17894 3955 1 15 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.718 2.154 17894 3956 1 15 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.332 0.818 17894 3957 1 15 . 1 1 44 44 GLN H H 44 8.915 8.915 8.523 0.392 17894 3958 1 15 . 1 1 45 45 LEU N N 45 119.431 119.431 120.185 -0.754 17894 3959 1 15 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.042 -0.150 17894 3960 1 15 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.358 -1.834 17894 3961 1 15 . 1 1 45 45 LEU H H 45 8.093 8.093 7.868 0.225 17894 3962 1 15 . 1 1 46 46 ALA N N 46 120.497 120.497 122.286 -1.789 17894 3963 1 15 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.871 0.163 17894 3964 1 15 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.294 1.207 17894 3965 1 15 . 1 1 46 46 ALA CB C 46 20.653 20.653 17.855 2.798 17894 3966 1 15 . 1 1 46 46 ALA H H 46 8.512 8.512 8.781 -0.269 17894 3967 1 15 . 1 1 47 47 LEU N N 47 116.461 116.461 118.092 -1.631 17894 3968 1 15 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.685 0.529 17894 3969 1 15 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.523 0.879 17894 3970 1 15 . 1 1 47 47 LEU H H 47 8.675 8.675 7.579 1.096 17894 3971 1 15 . 1 1 48 48 LYS N N 48 120.970 120.970 120.065 0.905 17894 3972 1 15 . 1 1 48 48 LYS HA H 48 3.580 3.580 3.885 -0.305 17894 3973 1 15 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.802 0.925 17894 3974 1 15 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.265 0.903 17894 3975 1 15 . 1 1 48 48 LYS H H 48 8.053 8.053 7.431 0.622 17894 3976 1 15 . 1 1 49 49 ILE N N 49 120.407 120.407 120.230 0.177 17894 3977 1 15 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.749 -0.151 17894 3978 1 15 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.685 2.417 17894 3979 1 15 . 1 1 49 49 ILE H H 49 8.783 8.783 8.406 0.377 17894 3980 1 15 . 1 1 50 50 ALA N N 50 120.445 120.445 123.231 -2.786 17894 3981 1 15 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.132 -0.062 17894 3982 1 15 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.248 1.151 17894 3983 1 15 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.298 0.607 17894 3984 1 15 . 1 1 50 50 ALA H H 50 8.182 8.182 8.259 -0.077 17894 3985 1 15 . 1 1 51 51 TYR N N 51 117.070 117.070 119.272 -2.202 17894 3986 1 15 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.112 0.241 17894 3987 1 15 . 1 1 51 51 TYR CA C 51 62.353 62.353 59.536 2.817 17894 3988 1 15 . 1 1 51 51 TYR H H 51 8.170 8.170 8.350 -0.180 17894 3989 1 15 . 1 1 52 52 TYR N N 52 118.548 118.548 117.535 1.013 17894 3990 1 15 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.258 0.046 17894 3991 1 15 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.712 2.096 17894 3992 1 15 . 1 1 52 52 TYR H H 52 9.079 9.079 8.602 0.477 17894 3993 1 15 . 1 1 53 53 LEU N N 53 115.427 115.427 116.857 -1.430 17894 3994 1 15 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.193 0.343 17894 3995 1 15 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.788 -0.744 17894 3996 1 15 . 1 1 53 53 LEU H H 53 8.417 8.417 8.491 -0.074 17894 3997 1 15 . 1 1 54 54 ASN N N 54 122.105 122.105 115.846 6.259 17894 3998 1 15 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.515 -0.066 17894 3999 1 15 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.925 0.766 17894 4000 1 15 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.651 1.980 17894 4001 1 15 . 1 1 54 54 ASN H H 54 8.090 8.090 8.288 -0.198 17894 4002 1 15 . 1 1 55 55 THR N N 55 114.929 114.929 115.192 -0.263 17894 4003 1 15 . 1 1 55 55 THR HA H 55 4.933 4.933 4.805 0.128 17894 4004 1 15 . 1 1 55 55 THR CA C 55 60.962 60.962 59.727 1.234 17894 4005 1 15 . 1 1 55 55 THR CB C 55 75.743 75.743 71.183 4.560 17894 4006 1 15 . 1 1 55 55 THR H H 55 8.255 8.255 8.356 -0.101 17894 4007 1 15 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.439 0.157 17894 4008 1 15 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.537 1.067 17894 4009 1 15 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.398 0.521 17894 4010 1 15 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.026 0.044 17894 4011 1 15 . 1 1 57 57 LEU CA C 57 60.622 60.622 57.565 3.057 17894 4012 1 15 . 1 1 58 58 GLU N N 58 123.143 123.143 118.081 5.062 17894 4013 1 15 . 1 1 58 58 GLU HA H 58 4.874 4.874 3.912 0.962 17894 4014 1 15 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.748 -0.249 17894 4015 1 15 . 1 1 58 58 GLU H H 58 9.365 9.365 8.766 0.599 17894 4016 1 15 . 1 1 59 59 ASP N N 59 117.681 117.681 116.476 1.205 17894 4017 1 15 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.517 0.106 17894 4018 1 15 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.061 0.401 17894 4019 1 15 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.452 0.439 17894 4020 1 15 . 1 1 59 59 ASP H H 59 8.014 8.014 7.588 0.426 17894 4021 1 15 . 1 1 60 60 ILE N N 60 119.519 119.519 114.619 4.900 17894 4022 1 15 . 1 1 60 60 ILE H H 60 8.209 8.209 7.195 1.014 17894 4023 1 15 . 1 1 61 61 PHE N N 61 115.960 115.960 118.388 -2.428 17894 4024 1 15 . 1 1 61 61 PHE H H 61 8.532 8.532 7.547 0.985 17894 4025 1 15 . 1 1 62 62 GLN N N 62 116.724 116.724 120.786 -4.062 17894 4026 1 15 . 1 1 62 62 GLN H H 62 8.752 8.752 8.086 0.666 17894 4027 1 15 . 1 1 63 63 TRP N N 63 125.611 125.611 122.207 3.404 17894 4028 1 15 . 1 1 63 63 TRP H H 63 9.476 9.476 8.515 0.961 17894 4029 1 15 . 1 1 64 64 GLN N N 64 127.087 127.087 125.698 1.389 17894 4030 1 15 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.662 -0.483 17894 4031 1 15 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.590 -1.188 17894 4032 1 15 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.689 1.883 17894 4033 1 15 . 1 1 64 64 GLN H H 64 7.989 7.989 8.609 -0.620 17894 4034 1 15 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.247 0.434 17894 4035 1 15 . 1 1 65 65 PRO CA C 65 62.514 62.514 63.824 -1.310 17894 4036 1 16 . 1 1 2 2 ILE N N 2 123.202 123.202 121.128 2.074 17894 4037 1 16 . 1 1 2 2 ILE CB C 2 40.032 40.032 36.601 3.431 17894 4038 1 16 . 1 1 2 2 ILE H H 2 9.148 9.148 8.341 0.807 17894 4039 1 16 . 1 1 3 3 ILE N N 3 108.681 108.681 116.586 -7.905 17894 4040 1 16 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.770 0.660 17894 4041 1 16 . 1 1 3 3 ILE CA C 3 60.911 60.911 62.170 -1.259 17894 4042 1 16 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.105 2.450 17894 4043 1 16 . 1 1 3 3 ILE H H 3 9.416 9.416 7.919 1.497 17894 4044 1 16 . 1 1 4 4 ASN N N 4 123.966 123.966 119.974 3.992 17894 4045 1 16 . 1 1 4 4 ASN H H 4 9.081 9.081 8.473 0.608 17894 4046 1 16 . 1 1 5 5 ASN N N 5 120.745 120.745 123.633 -2.888 17894 4047 1 16 . 1 1 5 5 ASN HA H 5 5.429 5.429 5.031 0.398 17894 4048 1 16 . 1 1 5 5 ASN CA C 5 52.356 52.356 51.826 0.530 17894 4049 1 16 . 1 1 5 5 ASN CB C 5 40.713 40.713 39.360 1.353 17894 4050 1 16 . 1 1 5 5 ASN H H 5 9.369 9.369 9.187 0.182 17894 4051 1 16 . 1 1 6 6 LEU N N 6 120.594 120.594 123.084 -2.490 17894 4052 1 16 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.818 -0.052 17894 4053 1 16 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.529 2.070 17894 4054 1 16 . 1 1 6 6 LEU H H 6 8.538 8.538 8.060 0.478 17894 4055 1 16 . 1 1 7 7 LYS N N 7 118.177 118.177 116.849 1.328 17894 4056 1 16 . 1 1 7 7 LYS HA H 7 3.908 3.908 4.013 -0.105 17894 4057 1 16 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.143 2.163 17894 4058 1 16 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.364 1.839 17894 4059 1 16 . 1 1 7 7 LYS H H 7 8.940 8.940 8.473 0.467 17894 4060 1 16 . 1 1 8 8 LEU N N 8 116.356 116.356 120.758 -4.402 17894 4061 1 16 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.160 0.012 17894 4062 1 16 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.938 1.352 17894 4063 1 16 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.803 2.125 17894 4064 1 16 . 1 1 8 8 LEU H H 8 7.687 7.687 7.723 -0.036 17894 4065 1 16 . 1 1 9 9 ILE N N 9 119.134 119.134 118.474 0.660 17894 4066 1 16 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.542 0.271 17894 4067 1 16 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.576 -1.718 17894 4068 1 16 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.624 0.206 17894 4069 1 16 . 1 1 9 9 ILE H H 9 8.225 8.225 7.451 0.774 17894 4070 1 16 . 1 1 10 10 ARG N N 10 120.162 120.162 121.049 -0.887 17894 4071 1 16 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.879 0.000 17894 4072 1 16 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.589 2.079 17894 4073 1 16 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.060 -0.661 17894 4074 1 16 . 1 1 10 10 ARG H H 10 9.259 9.259 8.546 0.713 17894 4075 1 16 . 1 1 11 11 GLU N N 11 115.878 115.878 117.913 -2.035 17894 4076 1 16 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.131 0.041 17894 4077 1 16 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.383 1.903 17894 4078 1 16 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.058 0.756 17894 4079 1 16 . 1 1 11 11 GLU H H 11 8.703 8.703 8.707 -0.004 17894 4080 1 16 . 1 1 12 12 LYS N N 12 122.935 122.935 120.764 2.171 17894 4081 1 16 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.031 0.175 17894 4082 1 16 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.020 1.255 17894 4083 1 16 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.580 0.318 17894 4084 1 16 . 1 1 12 12 LYS H H 12 8.256 8.256 7.821 0.435 17894 4085 1 16 . 1 1 13 13 LYS N N 13 116.350 116.350 115.828 0.522 17894 4086 1 16 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.254 0.042 17894 4087 1 16 . 1 1 13 13 LYS CA C 13 55.931 55.931 56.496 -0.565 17894 4088 1 16 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.878 -0.429 17894 4089 1 16 . 1 1 13 13 LYS H H 13 7.813 7.813 7.652 0.161 17894 4090 1 16 . 1 1 14 14 LYS N N 14 115.317 115.317 115.166 0.151 17894 4091 1 16 . 1 1 14 14 LYS HA H 14 3.963 3.963 4.027 -0.064 17894 4092 1 16 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.539 1.249 17894 4093 1 16 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.630 -0.581 17894 4094 1 16 . 1 1 14 14 LYS H H 14 8.068 8.068 7.715 0.353 17894 4095 1 16 . 1 1 15 15 ILE N N 15 118.373 118.373 120.008 -1.635 17894 4096 1 16 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.447 0.165 17894 4097 1 16 . 1 1 15 15 ILE CA C 15 60.058 60.058 58.703 1.355 17894 4098 1 16 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.408 3.388 17894 4099 1 16 . 1 1 15 15 ILE H H 15 7.573 7.573 8.623 -1.050 17894 4100 1 16 . 1 1 16 16 SER N N 16 125.057 125.057 120.664 4.393 17894 4101 1 16 . 1 1 16 16 SER HA H 16 4.566 4.566 4.799 -0.233 17894 4102 1 16 . 1 1 16 16 SER CA C 16 57.781 57.781 57.277 0.504 17894 4103 1 16 . 1 1 16 16 SER H H 16 9.457 9.457 9.030 0.427 17894 4104 1 16 . 1 1 17 17 GLN N N 17 120.197 120.197 124.770 -4.573 17894 4105 1 16 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.010 -0.232 17894 4106 1 16 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.167 3.495 17894 4107 1 16 . 1 1 17 17 GLN CB C 17 29.661 29.661 27.526 2.135 17894 4108 1 16 . 1 1 17 17 GLN H H 17 9.544 9.544 9.107 0.437 17894 4109 1 16 . 1 1 18 18 SER N N 18 112.998 112.998 116.819 -3.821 17894 4110 1 16 . 1 1 18 18 SER H H 18 8.985 8.985 8.524 0.461 17894 4111 1 16 . 1 1 19 19 GLU N N 19 124.112 124.112 122.387 1.725 17894 4112 1 16 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.051 0.055 17894 4113 1 16 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.794 0.720 17894 4114 1 16 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.350 1.089 17894 4115 1 16 . 1 1 19 19 GLU H H 19 8.349 8.349 8.775 -0.426 17894 4116 1 16 . 1 1 20 20 LEU N N 20 119.955 119.955 121.893 -1.938 17894 4117 1 16 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.931 0.195 17894 4118 1 16 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.152 0.240 17894 4119 1 16 . 1 1 20 20 LEU H H 20 8.321 8.321 8.485 -0.164 17894 4120 1 16 . 1 1 21 21 ALA N N 21 119.830 119.830 120.865 -1.035 17894 4121 1 16 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.904 -0.195 17894 4122 1 16 . 1 1 21 21 ALA CA C 21 56.272 56.272 54.882 1.390 17894 4123 1 16 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.175 -0.440 17894 4124 1 16 . 1 1 21 21 ALA H H 21 8.595 8.595 8.723 -0.128 17894 4125 1 16 . 1 1 22 22 ALA N N 22 117.258 117.258 121.248 -3.990 17894 4126 1 16 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.971 0.292 17894 4127 1 16 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.752 0.757 17894 4128 1 16 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.459 0.071 17894 4129 1 16 . 1 1 22 22 ALA H H 22 7.818 7.818 7.753 0.065 17894 4130 1 16 . 1 1 23 23 LEU N N 23 118.586 118.586 117.483 1.103 17894 4131 1 16 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.816 0.144 17894 4132 1 16 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.738 1.262 17894 4133 1 16 . 1 1 23 23 LEU H H 23 7.537 7.537 7.561 -0.024 17894 4134 1 16 . 1 1 24 24 LEU N N 24 114.488 114.488 114.553 -0.065 17894 4135 1 16 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.028 0.235 17894 4136 1 16 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.683 0.011 17894 4137 1 16 . 1 1 24 24 LEU H H 24 7.448 7.448 7.335 0.113 17894 4138 1 16 . 1 1 25 25 GLU N N 25 114.895 114.895 113.672 1.223 17894 4139 1 16 . 1 1 25 25 GLU HA H 25 3.965 3.965 3.990 -0.025 17894 4140 1 16 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.098 0.950 17894 4141 1 16 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.404 0.489 17894 4142 1 16 . 1 1 25 25 GLU H H 25 8.028 8.028 7.828 0.200 17894 4143 1 16 . 1 1 26 26 VAL N N 26 109.697 109.697 112.737 -3.040 17894 4144 1 16 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.438 0.435 17894 4145 1 16 . 1 1 26 26 VAL CA C 26 59.181 59.181 60.004 -0.823 17894 4146 1 16 . 1 1 26 26 VAL H H 26 7.990 7.990 7.572 0.418 17894 4147 1 16 . 1 1 27 27 SER N N 27 114.369 114.369 117.268 -2.899 17894 4148 1 16 . 1 1 27 27 SER HA H 27 4.643 4.643 4.479 0.164 17894 4149 1 16 . 1 1 27 27 SER CA C 27 57.345 57.345 58.721 -1.376 17894 4150 1 16 . 1 1 27 27 SER CB C 27 63.110 63.110 64.029 -0.919 17894 4151 1 16 . 1 1 27 27 SER H H 27 8.633 8.633 8.404 0.229 17894 4152 1 16 . 1 1 28 28 ARG N N 28 115.276 115.276 125.914 -10.638 17894 4153 1 16 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.962 -0.234 17894 4154 1 16 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.200 0.557 17894 4155 1 16 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.112 -0.162 17894 4156 1 16 . 1 1 28 28 ARG H H 28 8.236 8.236 8.971 -0.735 17894 4157 1 16 . 1 1 29 29 GLN N N 29 117.309 117.309 116.799 0.510 17894 4158 1 16 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.215 -0.062 17894 4159 1 16 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.847 1.166 17894 4160 1 16 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.794 0.674 17894 4161 1 16 . 1 1 29 29 GLN H H 29 8.835 8.835 8.765 0.070 17894 4162 1 16 . 1 1 30 30 THR N N 30 119.984 119.984 114.922 5.062 17894 4163 1 16 . 1 1 30 30 THR HA H 30 4.418 4.418 4.004 0.414 17894 4164 1 16 . 1 1 30 30 THR CA C 30 68.600 68.600 64.883 3.717 17894 4165 1 16 . 1 1 30 30 THR CB C 30 67.556 67.556 68.570 -1.014 17894 4166 1 16 . 1 1 30 30 THR H H 30 8.136 8.136 7.355 0.781 17894 4167 1 16 . 1 1 31 31 ILE N N 31 118.828 118.828 121.883 -3.055 17894 4168 1 16 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.748 0.037 17894 4169 1 16 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.431 -1.502 17894 4170 1 16 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.141 -1.164 17894 4171 1 16 . 1 1 31 31 ILE H H 31 7.162 7.162 7.743 -0.581 17894 4172 1 16 . 1 1 32 32 ASN N N 32 118.028 118.028 116.567 1.461 17894 4173 1 16 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.720 -0.390 17894 4174 1 16 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.673 3.522 17894 4175 1 16 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.384 2.761 17894 4176 1 16 . 1 1 32 32 ASN H H 32 8.668 8.668 8.994 -0.326 17894 4177 1 16 . 1 1 33 33 GLY N N 33 124.941 124.941 108.838 16.103 17894 4178 1 16 . 1 1 33 33 GLY H H 33 8.656 8.656 7.602 1.054 17894 4179 1 16 . 1 1 34 34 ILE N N 34 122.198 122.198 121.248 0.950 17894 4180 1 16 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.543 0.741 17894 4181 1 16 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.519 1.020 17894 4182 1 16 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.936 1.250 17894 4183 1 16 . 1 1 34 34 ILE H H 34 8.205 8.205 7.318 0.887 17894 4184 1 16 . 1 1 35 35 GLU N N 35 120.651 120.651 116.642 4.009 17894 4185 1 16 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.222 -0.009 17894 4186 1 16 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.730 1.862 17894 4187 1 16 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.442 0.310 17894 4188 1 16 . 1 1 35 35 GLU H H 35 8.592 8.592 7.639 0.953 17894 4189 1 16 . 1 1 36 36 LYS N N 36 115.995 115.995 118.598 -2.603 17894 4190 1 16 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.050 0.452 17894 4191 1 16 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.158 -1.874 17894 4192 1 16 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.603 0.235 17894 4193 1 16 . 1 1 36 36 LYS H H 36 8.111 8.111 7.805 0.306 17894 4194 1 16 . 1 1 37 37 ASN N N 37 114.563 114.563 110.357 4.206 17894 4195 1 16 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.632 0.116 17894 4196 1 16 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.593 2.095 17894 4197 1 16 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.167 -1.363 17894 4198 1 16 . 1 1 37 37 ASN H H 37 8.223 8.223 8.051 0.172 17894 4199 1 16 . 1 1 38 38 LYS N N 38 115.051 115.051 122.690 -7.639 17894 4200 1 16 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.963 0.458 17894 4201 1 16 . 1 1 38 38 LYS CA C 38 56.996 56.996 59.452 -2.456 17894 4202 1 16 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.790 1.346 17894 4203 1 16 . 1 1 38 38 LYS H H 38 8.734 8.734 8.050 0.684 17894 4204 1 16 . 1 1 39 39 TYR N N 39 116.976 116.976 110.829 6.147 17894 4205 1 16 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.739 -0.130 17894 4206 1 16 . 1 1 39 39 TYR CA C 39 56.377 56.377 54.402 1.975 17894 4207 1 16 . 1 1 39 39 TYR H H 39 7.089 7.089 7.540 -0.451 17894 4208 1 16 . 1 1 40 40 ASN N N 40 123.607 123.607 119.580 4.027 17894 4209 1 16 . 1 1 40 40 ASN CB C 40 39.376 39.376 37.820 1.556 17894 4210 1 16 . 1 1 40 40 ASN H H 40 8.862 8.862 8.613 0.249 17894 4211 1 16 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.608 -0.819 17894 4212 1 16 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.375 1.095 17894 4213 1 16 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.512 -0.051 17894 4214 1 16 . 1 1 42 42 SER N N 42 125.650 125.650 114.586 11.064 17894 4215 1 16 . 1 1 42 42 SER HA H 42 4.556 4.556 4.314 0.242 17894 4216 1 16 . 1 1 42 42 SER CA C 42 58.198 58.198 57.772 0.426 17894 4217 1 16 . 1 1 42 42 SER H H 42 8.056 8.056 8.185 -0.129 17894 4218 1 16 . 1 1 43 43 LEU N N 43 120.689 120.689 123.881 -3.192 17894 4219 1 16 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.901 0.013 17894 4220 1 16 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.828 0.417 17894 4221 1 16 . 1 1 43 43 LEU H H 43 9.296 9.296 8.687 0.609 17894 4222 1 16 . 1 1 44 44 GLN N N 44 115.960 115.960 118.297 -2.337 17894 4223 1 16 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.185 -0.488 17894 4224 1 16 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.696 2.176 17894 4225 1 16 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.429 0.721 17894 4226 1 16 . 1 1 44 44 GLN H H 44 8.915 8.915 8.545 0.370 17894 4227 1 16 . 1 1 45 45 LEU N N 45 119.431 119.431 120.548 -1.117 17894 4228 1 16 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.074 -0.182 17894 4229 1 16 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.667 -2.143 17894 4230 1 16 . 1 1 45 45 LEU H H 45 8.093 8.093 8.070 0.023 17894 4231 1 16 . 1 1 46 46 ALA N N 46 120.497 120.497 122.308 -1.811 17894 4232 1 16 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.168 -0.134 17894 4233 1 16 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.474 1.027 17894 4234 1 16 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.151 2.502 17894 4235 1 16 . 1 1 46 46 ALA H H 46 8.512 8.512 8.745 -0.233 17894 4236 1 16 . 1 1 47 47 LEU N N 47 116.461 116.461 118.680 -2.219 17894 4237 1 16 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.924 0.290 17894 4238 1 16 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.853 0.548 17894 4239 1 16 . 1 1 47 47 LEU H H 47 8.675 8.675 7.672 1.003 17894 4240 1 16 . 1 1 48 48 LYS N N 48 120.970 120.970 119.634 1.336 17894 4241 1 16 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.178 -0.598 17894 4242 1 16 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.843 0.884 17894 4243 1 16 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.392 0.777 17894 4244 1 16 . 1 1 48 48 LYS H H 48 8.053 8.053 7.934 0.119 17894 4245 1 16 . 1 1 49 49 ILE N N 49 120.407 120.407 118.816 1.591 17894 4246 1 16 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.782 -0.184 17894 4247 1 16 . 1 1 49 49 ILE CA C 49 68.102 68.102 64.960 3.142 17894 4248 1 16 . 1 1 49 49 ILE H H 49 8.783 8.783 8.332 0.451 17894 4249 1 16 . 1 1 50 50 ALA N N 50 120.445 120.445 121.307 -0.862 17894 4250 1 16 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.142 -0.072 17894 4251 1 16 . 1 1 50 50 ALA CA C 50 56.400 56.400 54.532 1.868 17894 4252 1 16 . 1 1 50 50 ALA CB C 50 18.905 18.905 19.036 -0.131 17894 4253 1 16 . 1 1 50 50 ALA H H 50 8.182 8.182 8.294 -0.112 17894 4254 1 16 . 1 1 51 51 TYR N N 51 117.070 117.070 121.054 -3.984 17894 4255 1 16 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.148 0.205 17894 4256 1 16 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.007 0.346 17894 4257 1 16 . 1 1 51 51 TYR H H 51 8.170 8.170 8.416 -0.246 17894 4258 1 16 . 1 1 52 52 TYR N N 52 118.548 118.548 118.819 -0.271 17894 4259 1 16 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.026 0.278 17894 4260 1 16 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.297 2.511 17894 4261 1 16 . 1 1 52 52 TYR H H 52 9.079 9.079 7.708 1.371 17894 4262 1 16 . 1 1 53 53 LEU N N 53 115.427 115.427 118.964 -3.537 17894 4263 1 16 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.181 0.355 17894 4264 1 16 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.984 -1.940 17894 4265 1 16 . 1 1 53 53 LEU H H 53 8.417 8.417 7.898 0.519 17894 4266 1 16 . 1 1 54 54 ASN N N 54 122.105 122.105 111.691 10.414 17894 4267 1 16 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.556 -0.107 17894 4268 1 16 . 1 1 54 54 ASN CA C 54 54.691 54.691 53.063 1.628 17894 4269 1 16 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.268 1.363 17894 4270 1 16 . 1 1 54 54 ASN H H 54 8.090 8.090 8.418 -0.328 17894 4271 1 16 . 1 1 55 55 THR N N 55 114.929 114.929 114.383 0.546 17894 4272 1 16 . 1 1 55 55 THR HA H 55 4.933 4.933 4.720 0.213 17894 4273 1 16 . 1 1 55 55 THR CA C 55 60.962 60.962 59.638 1.324 17894 4274 1 16 . 1 1 55 55 THR CB C 55 75.743 75.743 71.707 4.036 17894 4275 1 16 . 1 1 55 55 THR H H 55 8.255 8.255 8.248 0.007 17894 4276 1 16 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.642 -0.046 17894 4277 1 16 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.632 0.972 17894 4278 1 16 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.420 0.499 17894 4279 1 16 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.131 -0.061 17894 4280 1 16 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.859 1.763 17894 4281 1 16 . 1 1 58 58 GLU N N 58 123.143 123.143 118.516 4.627 17894 4282 1 16 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.513 0.361 17894 4283 1 16 . 1 1 58 58 GLU CA C 58 59.499 59.499 60.045 -0.546 17894 4284 1 16 . 1 1 58 58 GLU H H 58 9.365 9.365 8.742 0.623 17894 4285 1 16 . 1 1 59 59 ASP N N 59 117.681 117.681 118.636 -0.955 17894 4286 1 16 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.418 0.205 17894 4287 1 16 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.689 -0.227 17894 4288 1 16 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.434 0.456 17894 4289 1 16 . 1 1 59 59 ASP H H 59 8.014 8.014 7.586 0.428 17894 4290 1 16 . 1 1 60 60 ILE N N 60 119.519 119.519 113.412 6.107 17894 4291 1 16 . 1 1 60 60 ILE H H 60 8.209 8.209 7.235 0.974 17894 4292 1 16 . 1 1 61 61 PHE N N 61 115.960 115.960 119.579 -3.619 17894 4293 1 16 . 1 1 61 61 PHE H H 61 8.532 8.532 8.371 0.161 17894 4294 1 16 . 1 1 62 62 GLN N N 62 116.724 116.724 122.617 -5.893 17894 4295 1 16 . 1 1 62 62 GLN H H 62 8.752 8.752 8.518 0.234 17894 4296 1 16 . 1 1 63 63 TRP N N 63 125.611 125.611 120.904 4.707 17894 4297 1 16 . 1 1 63 63 TRP H H 63 9.476 9.476 8.590 0.886 17894 4298 1 16 . 1 1 64 64 GLN N N 64 127.087 127.087 123.608 3.479 17894 4299 1 16 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.705 -0.526 17894 4300 1 16 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.892 -1.490 17894 4301 1 16 . 1 1 64 64 GLN CB C 64 31.573 31.573 28.935 2.638 17894 4302 1 16 . 1 1 64 64 GLN H H 64 7.989 7.989 7.848 0.141 17894 4303 1 16 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.284 0.398 17894 4304 1 16 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.688 -2.174 17894 4305 1 17 . 1 1 2 2 ILE N N 2 123.202 123.202 122.253 0.949 17894 4306 1 17 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.423 0.609 17894 4307 1 17 . 1 1 2 2 ILE H H 2 9.148 9.148 7.650 1.498 17894 4308 1 17 . 1 1 3 3 ILE N N 3 108.681 108.681 127.270 -18.589 17894 4309 1 17 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.284 0.146 17894 4310 1 17 . 1 1 3 3 ILE CA C 3 60.911 60.911 59.530 1.381 17894 4311 1 17 . 1 1 3 3 ILE CB C 3 39.555 39.555 37.231 2.324 17894 4312 1 17 . 1 1 3 3 ILE H H 3 9.416 9.416 8.170 1.246 17894 4313 1 17 . 1 1 4 4 ASN N N 4 123.966 123.966 125.492 -1.526 17894 4314 1 17 . 1 1 4 4 ASN H H 4 9.081 9.081 8.903 0.178 17894 4315 1 17 . 1 1 5 5 ASN N N 5 120.745 120.745 117.905 2.840 17894 4316 1 17 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.435 0.994 17894 4317 1 17 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.443 -1.087 17894 4318 1 17 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.746 3.967 17894 4319 1 17 . 1 1 5 5 ASN H H 5 9.369 9.369 8.597 0.772 17894 4320 1 17 . 1 1 6 6 LEU N N 6 120.594 120.594 122.653 -2.059 17894 4321 1 17 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.901 -0.135 17894 4322 1 17 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.632 2.967 17894 4323 1 17 . 1 1 6 6 LEU H H 6 8.538 8.538 8.190 0.348 17894 4324 1 17 . 1 1 7 7 LYS N N 7 118.177 118.177 118.052 0.125 17894 4325 1 17 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.990 -0.082 17894 4326 1 17 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.127 2.179 17894 4327 1 17 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.098 2.105 17894 4328 1 17 . 1 1 7 7 LYS H H 7 8.940 8.940 7.520 1.420 17894 4329 1 17 . 1 1 8 8 LEU N N 8 116.356 116.356 119.142 -2.786 17894 4330 1 17 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.147 0.025 17894 4331 1 17 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.949 1.341 17894 4332 1 17 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.586 2.342 17894 4333 1 17 . 1 1 8 8 LEU H H 8 7.687 7.687 7.708 -0.021 17894 4334 1 17 . 1 1 9 9 ILE N N 9 119.134 119.134 118.853 0.281 17894 4335 1 17 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.571 0.242 17894 4336 1 17 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.530 -1.672 17894 4337 1 17 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.266 0.565 17894 4338 1 17 . 1 1 9 9 ILE H H 9 8.225 8.225 7.497 0.728 17894 4339 1 17 . 1 1 10 10 ARG N N 10 120.162 120.162 120.966 -0.804 17894 4340 1 17 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.848 0.031 17894 4341 1 17 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.755 1.913 17894 4342 1 17 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.039 -0.640 17894 4343 1 17 . 1 1 10 10 ARG H H 10 9.259 9.259 8.196 1.063 17894 4344 1 17 . 1 1 11 11 GLU N N 11 115.878 115.878 117.828 -1.950 17894 4345 1 17 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.091 0.081 17894 4346 1 17 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.798 1.488 17894 4347 1 17 . 1 1 11 11 GLU CB C 11 29.814 29.814 29.299 0.515 17894 4348 1 17 . 1 1 11 11 GLU H H 11 8.703 8.703 8.916 -0.213 17894 4349 1 17 . 1 1 12 12 LYS N N 12 122.935 122.935 123.437 -0.502 17894 4350 1 17 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.071 0.135 17894 4351 1 17 . 1 1 12 12 LYS CA C 12 60.275 60.275 58.667 1.608 17894 4352 1 17 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.443 0.455 17894 4353 1 17 . 1 1 12 12 LYS H H 12 8.256 8.256 8.425 -0.169 17894 4354 1 17 . 1 1 13 13 LYS N N 13 116.350 116.350 116.828 -0.478 17894 4355 1 17 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.481 -0.185 17894 4356 1 17 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.473 0.458 17894 4357 1 17 . 1 1 13 13 LYS CB C 13 32.449 32.449 31.821 0.628 17894 4358 1 17 . 1 1 13 13 LYS H H 13 7.813 7.813 8.065 -0.252 17894 4359 1 17 . 1 1 14 14 LYS N N 14 115.317 115.317 115.051 0.266 17894 4360 1 17 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.920 0.043 17894 4361 1 17 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.855 0.933 17894 4362 1 17 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.325 -0.277 17894 4363 1 17 . 1 1 14 14 LYS H H 14 8.068 8.068 7.841 0.227 17894 4364 1 17 . 1 1 15 15 ILE N N 15 118.373 118.373 121.232 -2.859 17894 4365 1 17 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.288 0.324 17894 4366 1 17 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.861 0.197 17894 4367 1 17 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.828 2.968 17894 4368 1 17 . 1 1 15 15 ILE H H 15 7.573 7.573 8.404 -0.831 17894 4369 1 17 . 1 1 16 16 SER N N 16 125.057 125.057 122.977 2.080 17894 4370 1 17 . 1 1 16 16 SER HA H 16 4.566 4.566 4.541 0.025 17894 4371 1 17 . 1 1 16 16 SER CA C 16 57.781 57.781 58.137 -0.356 17894 4372 1 17 . 1 1 16 16 SER H H 16 9.457 9.457 9.054 0.403 17894 4373 1 17 . 1 1 17 17 GLN N N 17 120.197 120.197 124.684 -4.487 17894 4374 1 17 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.938 -0.160 17894 4375 1 17 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.511 2.151 17894 4376 1 17 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.279 1.382 17894 4377 1 17 . 1 1 17 17 GLN H H 17 9.544 9.544 9.110 0.434 17894 4378 1 17 . 1 1 18 18 SER N N 18 112.998 112.998 114.490 -1.492 17894 4379 1 17 . 1 1 18 18 SER H H 18 8.985 8.985 8.593 0.392 17894 4380 1 17 . 1 1 19 19 GLU N N 19 124.112 124.112 121.428 2.684 17894 4381 1 17 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.081 0.025 17894 4382 1 17 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.755 0.758 17894 4383 1 17 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.008 1.431 17894 4384 1 17 . 1 1 19 19 GLU H H 19 8.349 8.349 8.378 -0.029 17894 4385 1 17 . 1 1 20 20 LEU N N 20 119.955 119.955 122.306 -2.351 17894 4386 1 17 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.843 0.283 17894 4387 1 17 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.345 0.047 17894 4388 1 17 . 1 1 20 20 LEU H H 20 8.321 8.321 8.195 0.126 17894 4389 1 17 . 1 1 21 21 ALA N N 21 119.830 119.830 120.921 -1.091 17894 4390 1 17 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.869 -0.160 17894 4391 1 17 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.100 1.172 17894 4392 1 17 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.978 -0.243 17894 4393 1 17 . 1 1 21 21 ALA H H 21 8.595 8.595 8.817 -0.222 17894 4394 1 17 . 1 1 22 22 ALA N N 22 117.258 117.258 121.027 -3.769 17894 4395 1 17 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.962 0.301 17894 4396 1 17 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.707 0.802 17894 4397 1 17 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.450 0.081 17894 4398 1 17 . 1 1 22 22 ALA H H 22 7.818 7.818 7.602 0.216 17894 4399 1 17 . 1 1 23 23 LEU N N 23 118.586 118.586 117.745 0.841 17894 4400 1 17 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.683 0.277 17894 4401 1 17 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.683 1.317 17894 4402 1 17 . 1 1 23 23 LEU H H 23 7.537 7.537 7.765 -0.228 17894 4403 1 17 . 1 1 24 24 LEU N N 24 114.488 114.488 114.073 0.415 17894 4404 1 17 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.262 0.001 17894 4405 1 17 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.308 -0.614 17894 4406 1 17 . 1 1 24 24 LEU H H 24 7.448 7.448 7.882 -0.434 17894 4407 1 17 . 1 1 25 25 GLU N N 25 114.895 114.895 113.304 1.591 17894 4408 1 17 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.051 -0.086 17894 4409 1 17 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.570 0.478 17894 4410 1 17 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.257 0.636 17894 4411 1 17 . 1 1 25 25 GLU H H 25 8.028 8.028 7.883 0.145 17894 4412 1 17 . 1 1 26 26 VAL N N 26 109.697 109.697 112.639 -2.942 17894 4413 1 17 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.439 0.434 17894 4414 1 17 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.399 -0.218 17894 4415 1 17 . 1 1 26 26 VAL H H 26 7.990 7.990 7.592 0.398 17894 4416 1 17 . 1 1 27 27 SER N N 27 114.369 114.369 116.435 -2.066 17894 4417 1 17 . 1 1 27 27 SER HA H 27 4.643 4.643 4.554 0.089 17894 4418 1 17 . 1 1 27 27 SER CA C 27 57.345 57.345 58.836 -1.491 17894 4419 1 17 . 1 1 27 27 SER CB C 27 63.110 63.110 63.915 -0.805 17894 4420 1 17 . 1 1 27 27 SER H H 27 8.633 8.633 8.549 0.084 17894 4421 1 17 . 1 1 28 28 ARG N N 28 115.276 115.276 127.027 -11.751 17894 4422 1 17 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.910 -0.182 17894 4423 1 17 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.473 0.285 17894 4424 1 17 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.031 -0.081 17894 4425 1 17 . 1 1 28 28 ARG H H 28 8.236 8.236 8.976 -0.740 17894 4426 1 17 . 1 1 29 29 GLN N N 29 117.309 117.309 115.976 1.333 17894 4427 1 17 . 1 1 29 29 GLN HA H 29 4.153 4.153 3.995 0.158 17894 4428 1 17 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.054 0.959 17894 4429 1 17 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.510 0.958 17894 4430 1 17 . 1 1 29 29 GLN H H 29 8.835 8.835 8.780 0.055 17894 4431 1 17 . 1 1 30 30 THR N N 30 119.984 119.984 115.527 4.457 17894 4432 1 17 . 1 1 30 30 THR HA H 30 4.418 4.418 4.032 0.386 17894 4433 1 17 . 1 1 30 30 THR CA C 30 68.600 68.600 65.086 3.514 17894 4434 1 17 . 1 1 30 30 THR CB C 30 67.556 67.556 68.250 -0.694 17894 4435 1 17 . 1 1 30 30 THR H H 30 8.136 8.136 7.455 0.681 17894 4436 1 17 . 1 1 31 31 ILE N N 31 118.828 118.828 123.075 -4.247 17894 4437 1 17 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.718 0.067 17894 4438 1 17 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.872 -1.943 17894 4439 1 17 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.672 -0.695 17894 4440 1 17 . 1 1 31 31 ILE H H 31 7.162 7.162 7.970 -0.808 17894 4441 1 17 . 1 1 32 32 ASN N N 32 118.028 118.028 119.057 -1.029 17894 4442 1 17 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.603 -0.273 17894 4443 1 17 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.929 2.266 17894 4444 1 17 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.708 2.437 17894 4445 1 17 . 1 1 32 32 ASN H H 32 8.668 8.668 8.819 -0.151 17894 4446 1 17 . 1 1 33 33 GLY N N 33 124.941 124.941 108.953 15.988 17894 4447 1 17 . 1 1 33 33 GLY H H 33 8.656 8.656 7.968 0.688 17894 4448 1 17 . 1 1 34 34 ILE N N 34 122.198 122.198 122.589 -0.391 17894 4449 1 17 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.721 0.563 17894 4450 1 17 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.458 1.082 17894 4451 1 17 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.060 1.126 17894 4452 1 17 . 1 1 34 34 ILE H H 34 8.205 8.205 8.280 -0.075 17894 4453 1 17 . 1 1 35 35 GLU N N 35 120.651 120.651 117.324 3.327 17894 4454 1 17 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.210 0.003 17894 4455 1 17 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.326 2.266 17894 4456 1 17 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.879 -0.127 17894 4457 1 17 . 1 1 35 35 GLU H H 35 8.592 8.592 8.067 0.525 17894 4458 1 17 . 1 1 36 36 LYS N N 36 115.995 115.995 117.549 -1.554 17894 4459 1 17 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.036 0.466 17894 4460 1 17 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.799 -2.515 17894 4461 1 17 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.200 -0.361 17894 4462 1 17 . 1 1 36 36 LYS H H 36 8.111 8.111 8.433 -0.322 17894 4463 1 17 . 1 1 37 37 ASN N N 37 114.563 114.563 110.316 4.247 17894 4464 1 17 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.713 0.035 17894 4465 1 17 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.480 2.208 17894 4466 1 17 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.996 -2.192 17894 4467 1 17 . 1 1 37 37 ASN H H 37 8.223 8.223 8.365 -0.142 17894 4468 1 17 . 1 1 38 38 LYS N N 38 115.051 115.051 122.293 -7.242 17894 4469 1 17 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.138 0.283 17894 4470 1 17 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.952 1.044 17894 4471 1 17 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.343 0.793 17894 4472 1 17 . 1 1 38 38 LYS H H 38 8.734 8.734 8.185 0.549 17894 4473 1 17 . 1 1 39 39 TYR N N 39 116.976 116.976 119.104 -2.128 17894 4474 1 17 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.394 0.215 17894 4475 1 17 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.746 -0.369 17894 4476 1 17 . 1 1 39 39 TYR H H 39 7.089 7.089 7.891 -0.801 17894 4477 1 17 . 1 1 40 40 ASN N N 40 123.607 123.607 119.960 3.647 17894 4478 1 17 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.784 0.592 17894 4479 1 17 . 1 1 40 40 ASN H H 40 8.862 8.862 8.419 0.443 17894 4480 1 17 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.490 -0.701 17894 4481 1 17 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.621 0.849 17894 4482 1 17 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.322 0.139 17894 4483 1 17 . 1 1 42 42 SER N N 42 125.650 125.650 114.160 11.490 17894 4484 1 17 . 1 1 42 42 SER HA H 42 4.556 4.556 4.301 0.255 17894 4485 1 17 . 1 1 42 42 SER CA C 42 58.198 58.198 57.817 0.381 17894 4486 1 17 . 1 1 42 42 SER H H 42 8.056 8.056 8.230 -0.174 17894 4487 1 17 . 1 1 43 43 LEU N N 43 120.689 120.689 125.277 -4.588 17894 4488 1 17 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.945 -0.032 17894 4489 1 17 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.043 1.202 17894 4490 1 17 . 1 1 43 43 LEU H H 43 9.296 9.296 8.653 0.643 17894 4491 1 17 . 1 1 44 44 GLN N N 44 115.960 115.960 119.369 -3.409 17894 4492 1 17 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.026 -0.329 17894 4493 1 17 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.187 1.685 17894 4494 1 17 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.706 0.444 17894 4495 1 17 . 1 1 44 44 GLN H H 44 8.915 8.915 8.080 0.835 17894 4496 1 17 . 1 1 45 45 LEU N N 45 119.431 119.431 120.385 -0.954 17894 4497 1 17 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.105 -0.213 17894 4498 1 17 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.756 -2.232 17894 4499 1 17 . 1 1 45 45 LEU H H 45 8.093 8.093 8.091 0.002 17894 4500 1 17 . 1 1 46 46 ALA N N 46 120.497 120.497 122.627 -2.130 17894 4501 1 17 . 1 1 46 46 ALA HA H 46 4.034 4.034 3.997 0.037 17894 4502 1 17 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.422 1.079 17894 4503 1 17 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.104 2.549 17894 4504 1 17 . 1 1 46 46 ALA H H 46 8.512 8.512 8.758 -0.246 17894 4505 1 17 . 1 1 47 47 LEU N N 47 116.461 116.461 118.841 -2.380 17894 4506 1 17 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.949 0.265 17894 4507 1 17 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.289 0.112 17894 4508 1 17 . 1 1 47 47 LEU H H 47 8.675 8.675 8.849 -0.174 17894 4509 1 17 . 1 1 48 48 LYS N N 48 120.970 120.970 120.275 0.695 17894 4510 1 17 . 1 1 48 48 LYS HA H 48 3.580 3.580 3.963 -0.383 17894 4511 1 17 . 1 1 48 48 LYS CA C 48 60.727 60.727 59.995 0.732 17894 4512 1 17 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.388 0.780 17894 4513 1 17 . 1 1 48 48 LYS H H 48 8.053 8.053 8.094 -0.041 17894 4514 1 17 . 1 1 49 49 ILE N N 49 120.407 120.407 120.622 -0.215 17894 4515 1 17 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.808 -0.210 17894 4516 1 17 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.280 2.822 17894 4517 1 17 . 1 1 49 49 ILE H H 49 8.783 8.783 8.574 0.209 17894 4518 1 17 . 1 1 50 50 ALA N N 50 120.445 120.445 123.614 -3.169 17894 4519 1 17 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.070 -0.000 17894 4520 1 17 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.546 0.854 17894 4521 1 17 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.398 0.507 17894 4522 1 17 . 1 1 50 50 ALA H H 50 8.182 8.182 8.889 -0.707 17894 4523 1 17 . 1 1 51 51 TYR N N 51 117.070 117.070 118.076 -1.006 17894 4524 1 17 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.107 0.246 17894 4525 1 17 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.188 0.165 17894 4526 1 17 . 1 1 51 51 TYR H H 51 8.170 8.170 9.024 -0.854 17894 4527 1 17 . 1 1 52 52 TYR N N 52 118.548 118.548 116.171 2.377 17894 4528 1 17 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.332 -0.028 17894 4529 1 17 . 1 1 52 52 TYR CA C 52 63.808 63.808 60.988 2.820 17894 4530 1 17 . 1 1 52 52 TYR H H 52 9.079 9.079 8.353 0.726 17894 4531 1 17 . 1 1 53 53 LEU N N 53 115.427 115.427 118.183 -2.756 17894 4532 1 17 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.145 0.391 17894 4533 1 17 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.360 -1.316 17894 4534 1 17 . 1 1 53 53 LEU H H 53 8.417 8.417 8.708 -0.291 17894 4535 1 17 . 1 1 54 54 ASN N N 54 122.105 122.105 117.476 4.629 17894 4536 1 17 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.353 0.096 17894 4537 1 17 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.320 0.371 17894 4538 1 17 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.102 1.529 17894 4539 1 17 . 1 1 54 54 ASN H H 54 8.090 8.090 8.698 -0.608 17894 4540 1 17 . 1 1 55 55 THR N N 55 114.929 114.929 115.335 -0.406 17894 4541 1 17 . 1 1 55 55 THR HA H 55 4.933 4.933 4.509 0.424 17894 4542 1 17 . 1 1 55 55 THR CA C 55 60.962 60.962 59.945 1.017 17894 4543 1 17 . 1 1 55 55 THR CB C 55 75.743 75.743 71.478 4.265 17894 4544 1 17 . 1 1 55 55 THR H H 55 8.255 8.255 7.564 0.691 17894 4545 1 17 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.526 0.070 17894 4546 1 17 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.879 0.725 17894 4547 1 17 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.375 0.544 17894 4548 1 17 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.126 -0.056 17894 4549 1 17 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.291 2.331 17894 4550 1 17 . 1 1 58 58 GLU N N 58 123.143 123.143 118.635 4.508 17894 4551 1 17 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.277 0.597 17894 4552 1 17 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.910 -0.411 17894 4553 1 17 . 1 1 58 58 GLU H H 58 9.365 9.365 8.695 0.670 17894 4554 1 17 . 1 1 59 59 ASP N N 59 117.681 117.681 118.368 -0.687 17894 4555 1 17 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.467 0.156 17894 4556 1 17 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.745 -0.283 17894 4557 1 17 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.605 0.285 17894 4558 1 17 . 1 1 59 59 ASP H H 59 8.014 8.014 8.127 -0.113 17894 4559 1 17 . 1 1 60 60 ILE N N 60 119.519 119.519 113.297 6.222 17894 4560 1 17 . 1 1 60 60 ILE H H 60 8.209 8.209 7.572 0.637 17894 4561 1 17 . 1 1 61 61 PHE N N 61 115.960 115.960 120.562 -4.602 17894 4562 1 17 . 1 1 61 61 PHE H H 61 8.532 8.532 8.360 0.172 17894 4563 1 17 . 1 1 62 62 GLN N N 62 116.724 116.724 123.661 -6.937 17894 4564 1 17 . 1 1 62 62 GLN H H 62 8.752 8.752 8.304 0.448 17894 4565 1 17 . 1 1 63 63 TRP N N 63 125.611 125.611 125.191 0.420 17894 4566 1 17 . 1 1 63 63 TRP H H 63 9.476 9.476 8.626 0.850 17894 4567 1 17 . 1 1 64 64 GLN N N 64 127.087 127.087 126.055 1.032 17894 4568 1 17 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.852 -0.673 17894 4569 1 17 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.586 -1.184 17894 4570 1 17 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.328 2.245 17894 4571 1 17 . 1 1 64 64 GLN H H 64 7.989 7.989 8.272 -0.283 17894 4572 1 17 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.328 0.354 17894 4573 1 17 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.169 -1.655 17894 4574 1 18 . 1 1 2 2 ILE N N 2 123.202 123.202 115.027 8.175 17894 4575 1 18 . 1 1 2 2 ILE CB C 2 40.032 40.032 39.187 0.845 17894 4576 1 18 . 1 1 2 2 ILE H H 2 9.148 9.148 8.001 1.147 17894 4577 1 18 . 1 1 3 3 ILE N N 3 108.681 108.681 116.369 -7.688 17894 4578 1 18 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.800 0.630 17894 4579 1 18 . 1 1 3 3 ILE CA C 3 60.911 60.911 61.200 -0.289 17894 4580 1 18 . 1 1 3 3 ILE CB C 3 39.555 39.555 34.547 5.008 17894 4581 1 18 . 1 1 3 3 ILE H H 3 9.416 9.416 8.015 1.401 17894 4582 1 18 . 1 1 4 4 ASN N N 4 123.966 123.966 119.680 4.286 17894 4583 1 18 . 1 1 4 4 ASN H H 4 9.081 9.081 8.490 0.591 17894 4584 1 18 . 1 1 5 5 ASN N N 5 120.745 120.745 122.490 -1.745 17894 4585 1 18 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.784 0.645 17894 4586 1 18 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.505 -0.149 17894 4587 1 18 . 1 1 5 5 ASN CB C 5 40.713 40.713 38.273 2.440 17894 4588 1 18 . 1 1 5 5 ASN H H 5 9.369 9.369 7.910 1.459 17894 4589 1 18 . 1 1 6 6 LEU N N 6 120.594 120.594 123.854 -3.260 17894 4590 1 18 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.764 0.002 17894 4591 1 18 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.376 2.223 17894 4592 1 18 . 1 1 6 6 LEU H H 6 8.538 8.538 7.863 0.675 17894 4593 1 18 . 1 1 7 7 LYS N N 7 118.177 118.177 119.357 -1.180 17894 4594 1 18 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.859 0.049 17894 4595 1 18 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.331 1.975 17894 4596 1 18 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.052 2.151 17894 4597 1 18 . 1 1 7 7 LYS H H 7 8.940 8.940 7.937 1.003 17894 4598 1 18 . 1 1 8 8 LEU N N 8 116.356 116.356 119.997 -3.641 17894 4599 1 18 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.081 0.091 17894 4600 1 18 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.187 1.103 17894 4601 1 18 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.757 2.171 17894 4602 1 18 . 1 1 8 8 LEU H H 8 7.687 7.687 7.715 -0.028 17894 4603 1 18 . 1 1 9 9 ILE N N 9 119.134 119.134 118.569 0.565 17894 4604 1 18 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.564 0.249 17894 4605 1 18 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.315 -1.457 17894 4606 1 18 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.635 0.195 17894 4607 1 18 . 1 1 9 9 ILE H H 9 8.225 8.225 7.169 1.056 17894 4608 1 18 . 1 1 10 10 ARG N N 10 120.162 120.162 120.887 -0.725 17894 4609 1 18 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.923 -0.044 17894 4610 1 18 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.554 2.114 17894 4611 1 18 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.296 -0.897 17894 4612 1 18 . 1 1 10 10 ARG H H 10 9.259 9.259 8.724 0.535 17894 4613 1 18 . 1 1 11 11 GLU N N 11 115.878 115.878 119.343 -3.465 17894 4614 1 18 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.101 0.071 17894 4615 1 18 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.220 1.066 17894 4616 1 18 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.682 1.132 17894 4617 1 18 . 1 1 11 11 GLU H H 11 8.703 8.703 8.971 -0.268 17894 4618 1 18 . 1 1 12 12 LYS N N 12 122.935 122.935 121.575 1.360 17894 4619 1 18 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.966 0.240 17894 4620 1 18 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.218 1.056 17894 4621 1 18 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.576 0.322 17894 4622 1 18 . 1 1 12 12 LYS H H 12 8.256 8.256 8.222 0.034 17894 4623 1 18 . 1 1 13 13 LYS N N 13 116.350 116.350 114.825 1.525 17894 4624 1 18 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.331 -0.035 17894 4625 1 18 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.860 0.071 17894 4626 1 18 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.566 -0.117 17894 4627 1 18 . 1 1 13 13 LYS H H 13 7.813 7.813 7.534 0.279 17894 4628 1 18 . 1 1 14 14 LYS N N 14 115.317 115.317 116.179 -0.862 17894 4629 1 18 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.973 -0.010 17894 4630 1 18 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.818 0.970 17894 4631 1 18 . 1 1 14 14 LYS CB C 14 29.048 29.048 30.152 -1.104 17894 4632 1 18 . 1 1 14 14 LYS H H 14 8.068 8.068 7.270 0.798 17894 4633 1 18 . 1 1 15 15 ILE N N 15 118.373 118.373 121.235 -2.862 17894 4634 1 18 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.139 0.473 17894 4635 1 18 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.673 0.385 17894 4636 1 18 . 1 1 15 15 ILE CB C 15 41.796 41.796 37.978 3.817 17894 4637 1 18 . 1 1 15 15 ILE H H 15 7.573 7.573 8.508 -0.935 17894 4638 1 18 . 1 1 16 16 SER N N 16 125.057 125.057 125.634 -0.577 17894 4639 1 18 . 1 1 16 16 SER HA H 16 4.566 4.566 4.573 -0.007 17894 4640 1 18 . 1 1 16 16 SER CA C 16 57.781 57.781 58.918 -1.137 17894 4641 1 18 . 1 1 16 16 SER H H 16 9.457 9.457 9.815 -0.358 17894 4642 1 18 . 1 1 17 17 GLN N N 17 120.197 120.197 125.818 -5.621 17894 4643 1 18 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.074 -0.296 17894 4644 1 18 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.508 3.154 17894 4645 1 18 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.130 1.531 17894 4646 1 18 . 1 1 17 17 GLN H H 17 9.544 9.544 9.097 0.447 17894 4647 1 18 . 1 1 18 18 SER N N 18 112.998 112.998 115.288 -2.290 17894 4648 1 18 . 1 1 18 18 SER H H 18 8.985 8.985 8.617 0.368 17894 4649 1 18 . 1 1 19 19 GLU N N 19 124.112 124.112 121.824 2.288 17894 4650 1 18 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.132 -0.026 17894 4651 1 18 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.578 0.935 17894 4652 1 18 . 1 1 19 19 GLU CB C 19 30.439 30.439 29.075 1.364 17894 4653 1 18 . 1 1 19 19 GLU H H 19 8.349 8.349 8.308 0.041 17894 4654 1 18 . 1 1 20 20 LEU N N 20 119.955 119.955 121.972 -2.017 17894 4655 1 18 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.977 0.149 17894 4656 1 18 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.942 0.450 17894 4657 1 18 . 1 1 20 20 LEU H H 20 8.321 8.321 8.545 -0.224 17894 4658 1 18 . 1 1 21 21 ALA N N 21 119.830 119.830 120.693 -0.863 17894 4659 1 18 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.895 -0.186 17894 4660 1 18 . 1 1 21 21 ALA CA C 21 56.272 56.272 54.978 1.294 17894 4661 1 18 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.979 -0.244 17894 4662 1 18 . 1 1 21 21 ALA H H 21 8.595 8.595 8.492 0.103 17894 4663 1 18 . 1 1 22 22 ALA N N 22 117.258 117.258 120.973 -3.715 17894 4664 1 18 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.993 0.270 17894 4665 1 18 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.533 0.975 17894 4666 1 18 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.458 0.072 17894 4667 1 18 . 1 1 22 22 ALA H H 22 7.818 7.818 7.377 0.441 17894 4668 1 18 . 1 1 23 23 LEU N N 23 118.586 118.586 117.487 1.099 17894 4669 1 18 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.724 0.236 17894 4670 1 18 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.969 1.031 17894 4671 1 18 . 1 1 23 23 LEU H H 23 7.537 7.537 7.442 0.095 17894 4672 1 18 . 1 1 24 24 LEU N N 24 114.488 114.488 114.026 0.462 17894 4673 1 18 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.183 0.080 17894 4674 1 18 . 1 1 24 24 LEU CA C 24 55.694 55.694 54.911 0.783 17894 4675 1 18 . 1 1 24 24 LEU H H 24 7.448 7.448 7.759 -0.311 17894 4676 1 18 . 1 1 25 25 GLU N N 25 114.895 114.895 113.959 0.936 17894 4677 1 18 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.006 -0.041 17894 4678 1 18 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.504 0.544 17894 4679 1 18 . 1 1 25 25 GLU CB C 25 27.893 27.893 26.753 1.140 17894 4680 1 18 . 1 1 25 25 GLU H H 25 8.028 8.028 7.880 0.148 17894 4681 1 18 . 1 1 26 26 VAL N N 26 109.697 109.697 110.224 -0.527 17894 4682 1 18 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.460 0.413 17894 4683 1 18 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.349 -0.168 17894 4684 1 18 . 1 1 26 26 VAL H H 26 7.990 7.990 7.527 0.463 17894 4685 1 18 . 1 1 27 27 SER N N 27 114.369 114.369 117.267 -2.898 17894 4686 1 18 . 1 1 27 27 SER HA H 27 4.643 4.643 4.569 0.074 17894 4687 1 18 . 1 1 27 27 SER CA C 27 57.345 57.345 58.584 -1.240 17894 4688 1 18 . 1 1 27 27 SER CB C 27 63.110 63.110 64.038 -0.928 17894 4689 1 18 . 1 1 27 27 SER H H 27 8.633 8.633 8.453 0.180 17894 4690 1 18 . 1 1 28 28 ARG N N 28 115.276 115.276 126.223 -10.947 17894 4691 1 18 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.909 -0.181 17894 4692 1 18 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.264 0.494 17894 4693 1 18 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.251 -0.301 17894 4694 1 18 . 1 1 28 28 ARG H H 28 8.236 8.236 8.936 -0.700 17894 4695 1 18 . 1 1 29 29 GLN N N 29 117.309 117.309 116.675 0.634 17894 4696 1 18 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.116 0.037 17894 4697 1 18 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.968 1.045 17894 4698 1 18 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.355 1.113 17894 4699 1 18 . 1 1 29 29 GLN H H 29 8.835 8.835 8.743 0.092 17894 4700 1 18 . 1 1 30 30 THR N N 30 119.984 119.984 117.135 2.849 17894 4701 1 18 . 1 1 30 30 THR HA H 30 4.418 4.418 3.970 0.448 17894 4702 1 18 . 1 1 30 30 THR CA C 30 68.600 68.600 65.744 2.856 17894 4703 1 18 . 1 1 30 30 THR CB C 30 67.556 67.556 68.105 -0.549 17894 4704 1 18 . 1 1 30 30 THR H H 30 8.136 8.136 7.359 0.777 17894 4705 1 18 . 1 1 31 31 ILE N N 31 118.828 118.828 120.474 -1.646 17894 4706 1 18 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.800 -0.015 17894 4707 1 18 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.812 -1.883 17894 4708 1 18 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.084 -1.107 17894 4709 1 18 . 1 1 31 31 ILE H H 31 7.162 7.162 7.795 -0.633 17894 4710 1 18 . 1 1 32 32 ASN N N 32 118.028 118.028 116.519 1.509 17894 4711 1 18 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.639 -0.309 17894 4712 1 18 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.841 3.354 17894 4713 1 18 . 1 1 32 32 ASN CB C 32 40.145 40.145 38.261 1.885 17894 4714 1 18 . 1 1 32 32 ASN H H 32 8.668 8.668 8.313 0.355 17894 4715 1 18 . 1 1 33 33 GLY N N 33 124.941 124.941 109.634 15.307 17894 4716 1 18 . 1 1 33 33 GLY H H 33 8.656 8.656 7.988 0.668 17894 4717 1 18 . 1 1 34 34 ILE N N 34 122.198 122.198 122.101 0.097 17894 4718 1 18 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.916 0.368 17894 4719 1 18 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.418 1.122 17894 4720 1 18 . 1 1 34 34 ILE CB C 34 39.186 39.186 37.957 1.229 17894 4721 1 18 . 1 1 34 34 ILE H H 34 8.205 8.205 7.855 0.350 17894 4722 1 18 . 1 1 35 35 GLU N N 35 120.651 120.651 116.539 4.112 17894 4723 1 18 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.252 -0.039 17894 4724 1 18 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.188 2.404 17894 4725 1 18 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.411 0.341 17894 4726 1 18 . 1 1 35 35 GLU H H 35 8.592 8.592 8.103 0.489 17894 4727 1 18 . 1 1 36 36 LYS N N 36 115.995 115.995 118.943 -2.948 17894 4728 1 18 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.146 0.356 17894 4729 1 18 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.534 -2.250 17894 4730 1 18 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.294 -0.455 17894 4731 1 18 . 1 1 36 36 LYS H H 36 8.111 8.111 7.633 0.478 17894 4732 1 18 . 1 1 37 37 ASN N N 37 114.563 114.563 110.133 4.430 17894 4733 1 18 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.690 0.058 17894 4734 1 18 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.636 2.052 17894 4735 1 18 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.672 -1.867 17894 4736 1 18 . 1 1 37 37 ASN H H 37 8.223 8.223 8.592 -0.369 17894 4737 1 18 . 1 1 38 38 LYS N N 38 115.051 115.051 122.251 -7.200 17894 4738 1 18 . 1 1 38 38 LYS HA H 38 4.421 4.421 3.959 0.462 17894 4739 1 18 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.163 0.833 17894 4740 1 18 . 1 1 38 38 LYS CB C 38 34.136 34.136 32.881 1.255 17894 4741 1 18 . 1 1 38 38 LYS H H 38 8.734 8.734 8.135 0.599 17894 4742 1 18 . 1 1 39 39 TYR N N 39 116.976 116.976 121.577 -4.601 17894 4743 1 18 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.309 0.300 17894 4744 1 18 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.623 -1.246 17894 4745 1 18 . 1 1 39 39 TYR H H 39 7.089 7.089 7.855 -0.766 17894 4746 1 18 . 1 1 40 40 ASN N N 40 123.607 123.607 120.585 3.022 17894 4747 1 18 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.670 0.706 17894 4748 1 18 . 1 1 40 40 ASN H H 40 8.862 8.862 8.572 0.290 17894 4749 1 18 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.498 -0.709 17894 4750 1 18 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.952 0.518 17894 4751 1 18 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.088 0.373 17894 4752 1 18 . 1 1 42 42 SER N N 42 125.650 125.650 116.789 8.861 17894 4753 1 18 . 1 1 42 42 SER HA H 42 4.556 4.556 4.414 0.142 17894 4754 1 18 . 1 1 42 42 SER CA C 42 58.198 58.198 58.102 0.096 17894 4755 1 18 . 1 1 42 42 SER H H 42 8.056 8.056 8.312 -0.256 17894 4756 1 18 . 1 1 43 43 LEU N N 43 120.689 120.689 124.096 -3.407 17894 4757 1 18 . 1 1 43 43 LEU HA H 43 3.913 3.913 4.076 -0.163 17894 4758 1 18 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.625 0.620 17894 4759 1 18 . 1 1 43 43 LEU H H 43 9.296 9.296 8.770 0.526 17894 4760 1 18 . 1 1 44 44 GLN N N 44 115.960 115.960 119.405 -3.445 17894 4761 1 18 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.157 -0.460 17894 4762 1 18 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.819 2.053 17894 4763 1 18 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.453 0.697 17894 4764 1 18 . 1 1 44 44 GLN H H 44 8.915 8.915 8.567 0.348 17894 4765 1 18 . 1 1 45 45 LEU N N 45 119.431 119.431 120.582 -1.151 17894 4766 1 18 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.112 -0.220 17894 4767 1 18 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.822 -2.298 17894 4768 1 18 . 1 1 45 45 LEU H H 45 8.093 8.093 8.048 0.045 17894 4769 1 18 . 1 1 46 46 ALA N N 46 120.497 120.497 122.669 -2.172 17894 4770 1 18 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.023 0.011 17894 4771 1 18 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.524 0.977 17894 4772 1 18 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.217 2.436 17894 4773 1 18 . 1 1 46 46 ALA H H 46 8.512 8.512 8.983 -0.471 17894 4774 1 18 . 1 1 47 47 LEU N N 47 116.461 116.461 118.809 -2.348 17894 4775 1 18 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.882 0.332 17894 4776 1 18 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.173 0.228 17894 4777 1 18 . 1 1 47 47 LEU H H 47 8.675 8.675 8.712 -0.037 17894 4778 1 18 . 1 1 48 48 LYS N N 48 120.970 120.970 120.525 0.445 17894 4779 1 18 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.112 -0.532 17894 4780 1 18 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.215 0.512 17894 4781 1 18 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.571 0.597 17894 4782 1 18 . 1 1 48 48 LYS H H 48 8.053 8.053 8.573 -0.520 17894 4783 1 18 . 1 1 49 49 ILE N N 49 120.407 120.407 120.706 -0.299 17894 4784 1 18 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.795 -0.197 17894 4785 1 18 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.755 2.347 17894 4786 1 18 . 1 1 49 49 ILE H H 49 8.783 8.783 8.752 0.031 17894 4787 1 18 . 1 1 50 50 ALA N N 50 120.445 120.445 123.428 -2.983 17894 4788 1 18 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.075 -0.005 17894 4789 1 18 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.282 1.118 17894 4790 1 18 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.361 0.544 17894 4791 1 18 . 1 1 50 50 ALA H H 50 8.182 8.182 8.873 -0.691 17894 4792 1 18 . 1 1 51 51 TYR N N 51 117.070 117.070 120.327 -3.257 17894 4793 1 18 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.065 0.288 17894 4794 1 18 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.643 0.710 17894 4795 1 18 . 1 1 51 51 TYR H H 51 8.170 8.170 8.748 -0.578 17894 4796 1 18 . 1 1 52 52 TYR N N 52 118.548 118.548 115.232 3.316 17894 4797 1 18 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.152 0.152 17894 4798 1 18 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.100 2.708 17894 4799 1 18 . 1 1 52 52 TYR H H 52 9.079 9.079 8.429 0.650 17894 4800 1 18 . 1 1 53 53 LEU N N 53 115.427 115.427 117.953 -2.526 17894 4801 1 18 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.154 0.382 17894 4802 1 18 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.447 -1.403 17894 4803 1 18 . 1 1 53 53 LEU H H 53 8.417 8.417 8.587 -0.170 17894 4804 1 18 . 1 1 54 54 ASN N N 54 122.105 122.105 116.557 5.548 17894 4805 1 18 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.402 0.047 17894 4806 1 18 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.407 0.284 17894 4807 1 18 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.354 2.277 17894 4808 1 18 . 1 1 54 54 ASN H H 54 8.090 8.090 8.712 -0.622 17894 4809 1 18 . 1 1 55 55 THR N N 55 114.929 114.929 115.371 -0.442 17894 4810 1 18 . 1 1 55 55 THR HA H 55 4.933 4.933 4.551 0.382 17894 4811 1 18 . 1 1 55 55 THR CA C 55 60.962 60.962 60.039 0.923 17894 4812 1 18 . 1 1 55 55 THR CB C 55 75.743 75.743 71.710 4.033 17894 4813 1 18 . 1 1 55 55 THR H H 55 8.255 8.255 7.617 0.638 17894 4814 1 18 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.442 0.154 17894 4815 1 18 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.623 0.981 17894 4816 1 18 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.278 0.641 17894 4817 1 18 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.120 -0.050 17894 4818 1 18 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.402 2.220 17894 4819 1 18 . 1 1 58 58 GLU N N 58 123.143 123.143 117.463 5.680 17894 4820 1 18 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.108 0.766 17894 4821 1 18 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.153 0.346 17894 4822 1 18 . 1 1 58 58 GLU H H 58 9.365 9.365 8.534 0.831 17894 4823 1 18 . 1 1 59 59 ASP N N 59 117.681 117.681 118.240 -0.559 17894 4824 1 18 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.423 0.200 17894 4825 1 18 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.312 0.150 17894 4826 1 18 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.812 0.079 17894 4827 1 18 . 1 1 59 59 ASP H H 59 8.014 8.014 7.513 0.501 17894 4828 1 18 . 1 1 60 60 ILE N N 60 119.519 119.519 112.246 7.273 17894 4829 1 18 . 1 1 60 60 ILE H H 60 8.209 8.209 7.291 0.918 17894 4830 1 18 . 1 1 61 61 PHE N N 61 115.960 115.960 116.343 -0.383 17894 4831 1 18 . 1 1 61 61 PHE H H 61 8.532 8.532 8.008 0.524 17894 4832 1 18 . 1 1 62 62 GLN N N 62 116.724 116.724 118.921 -2.197 17894 4833 1 18 . 1 1 62 62 GLN H H 62 8.752 8.752 8.203 0.549 17894 4834 1 18 . 1 1 63 63 TRP N N 63 125.611 125.611 121.312 4.299 17894 4835 1 18 . 1 1 63 63 TRP H H 63 9.476 9.476 8.518 0.958 17894 4836 1 18 . 1 1 64 64 GLN N N 64 127.087 127.087 125.693 1.394 17894 4837 1 18 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.637 -0.458 17894 4838 1 18 . 1 1 64 64 GLN CA C 64 52.402 52.402 56.929 -4.527 17894 4839 1 18 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.025 4.548 17894 4840 1 18 . 1 1 64 64 GLN H H 64 7.989 7.989 8.693 -0.704 17894 4841 1 18 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.352 0.330 17894 4842 1 18 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.352 -1.838 17894 4843 1 19 . 1 1 2 2 ILE N N 2 123.202 123.202 122.179 1.023 17894 4844 1 19 . 1 1 2 2 ILE CB C 2 40.032 40.032 36.852 3.180 17894 4845 1 19 . 1 1 2 2 ILE H H 2 9.148 9.148 7.905 1.243 17894 4846 1 19 . 1 1 3 3 ILE N N 3 108.681 108.681 125.790 -17.109 17894 4847 1 19 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.919 0.511 17894 4848 1 19 . 1 1 3 3 ILE CA C 3 60.911 60.911 62.311 -1.400 17894 4849 1 19 . 1 1 3 3 ILE CB C 3 39.555 39.555 38.134 1.421 17894 4850 1 19 . 1 1 3 3 ILE H H 3 9.416 9.416 8.671 0.745 17894 4851 1 19 . 1 1 4 4 ASN N N 4 123.966 123.966 111.291 12.675 17894 4852 1 19 . 1 1 4 4 ASN H H 4 9.081 9.081 8.296 0.785 17894 4853 1 19 . 1 1 5 5 ASN N N 5 120.745 120.745 115.595 5.150 17894 4854 1 19 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.510 0.919 17894 4855 1 19 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.739 -0.383 17894 4856 1 19 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.450 4.263 17894 4857 1 19 . 1 1 5 5 ASN H H 5 9.369 9.369 8.178 1.191 17894 4858 1 19 . 1 1 6 6 LEU N N 6 120.594 120.594 123.148 -2.554 17894 4859 1 19 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.880 -0.114 17894 4860 1 19 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.346 2.253 17894 4861 1 19 . 1 1 6 6 LEU H H 6 8.538 8.538 8.173 0.365 17894 4862 1 19 . 1 1 7 7 LYS N N 7 118.177 118.177 118.463 -0.286 17894 4863 1 19 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.946 -0.038 17894 4864 1 19 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.245 2.061 17894 4865 1 19 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.073 2.130 17894 4866 1 19 . 1 1 7 7 LYS H H 7 8.940 8.940 7.706 1.234 17894 4867 1 19 . 1 1 8 8 LEU N N 8 116.356 116.356 120.044 -3.688 17894 4868 1 19 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.105 0.067 17894 4869 1 19 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.815 1.475 17894 4870 1 19 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.694 2.233 17894 4871 1 19 . 1 1 8 8 LEU H H 8 7.687 7.687 7.391 0.296 17894 4872 1 19 . 1 1 9 9 ILE N N 9 119.134 119.134 119.126 0.008 17894 4873 1 19 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.574 0.239 17894 4874 1 19 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.853 -1.995 17894 4875 1 19 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.584 0.246 17894 4876 1 19 . 1 1 9 9 ILE H H 9 8.225 8.225 7.595 0.630 17894 4877 1 19 . 1 1 10 10 ARG N N 10 120.162 120.162 121.031 -0.869 17894 4878 1 19 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.881 -0.002 17894 4879 1 19 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.763 1.905 17894 4880 1 19 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.162 -0.763 17894 4881 1 19 . 1 1 10 10 ARG H H 10 9.259 9.259 8.784 0.475 17894 4882 1 19 . 1 1 11 11 GLU N N 11 115.878 115.878 119.635 -3.757 17894 4883 1 19 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.132 0.040 17894 4884 1 19 . 1 1 11 11 GLU CA C 11 60.286 60.286 59.229 1.057 17894 4885 1 19 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.758 1.056 17894 4886 1 19 . 1 1 11 11 GLU H H 11 8.703 8.703 8.903 -0.200 17894 4887 1 19 . 1 1 12 12 LYS N N 12 122.935 122.935 121.680 1.255 17894 4888 1 19 . 1 1 12 12 LYS HA H 12 4.206 4.206 3.960 0.246 17894 4889 1 19 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.329 0.946 17894 4890 1 19 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.624 0.274 17894 4891 1 19 . 1 1 12 12 LYS H H 12 8.256 8.256 8.306 -0.050 17894 4892 1 19 . 1 1 13 13 LYS N N 13 116.350 116.350 114.346 2.004 17894 4893 1 19 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.302 -0.006 17894 4894 1 19 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.743 0.188 17894 4895 1 19 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.423 0.026 17894 4896 1 19 . 1 1 13 13 LYS H H 13 7.813 7.813 7.743 0.070 17894 4897 1 19 . 1 1 14 14 LYS N N 14 115.317 115.317 116.464 -1.147 17894 4898 1 19 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.951 0.012 17894 4899 1 19 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.750 1.038 17894 4900 1 19 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.636 -0.588 17894 4901 1 19 . 1 1 14 14 LYS H H 14 8.068 8.068 7.959 0.109 17894 4902 1 19 . 1 1 15 15 ILE N N 15 118.373 118.373 121.518 -3.145 17894 4903 1 19 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.226 0.386 17894 4904 1 19 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.454 0.604 17894 4905 1 19 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.928 2.868 17894 4906 1 19 . 1 1 15 15 ILE H H 15 7.573 7.573 8.842 -1.269 17894 4907 1 19 . 1 1 16 16 SER N N 16 125.057 125.057 124.221 0.836 17894 4908 1 19 . 1 1 16 16 SER HA H 16 4.566 4.566 4.611 -0.045 17894 4909 1 19 . 1 1 16 16 SER CA C 16 57.781 57.781 58.654 -0.873 17894 4910 1 19 . 1 1 16 16 SER H H 16 9.457 9.457 9.851 -0.394 17894 4911 1 19 . 1 1 17 17 GLN N N 17 120.197 120.197 124.587 -4.390 17894 4912 1 19 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.918 -0.140 17894 4913 1 19 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.192 2.470 17894 4914 1 19 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.268 1.393 17894 4915 1 19 . 1 1 17 17 GLN H H 17 9.544 9.544 9.056 0.488 17894 4916 1 19 . 1 1 18 18 SER N N 18 112.998 112.998 115.245 -2.247 17894 4917 1 19 . 1 1 18 18 SER H H 18 8.985 8.985 8.675 0.310 17894 4918 1 19 . 1 1 19 19 GLU N N 19 124.112 124.112 121.972 2.140 17894 4919 1 19 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.055 0.051 17894 4920 1 19 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.873 0.640 17894 4921 1 19 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.926 1.513 17894 4922 1 19 . 1 1 19 19 GLU H H 19 8.349 8.349 8.387 -0.038 17894 4923 1 19 . 1 1 20 20 LEU N N 20 119.955 119.955 121.831 -1.876 17894 4924 1 19 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.899 0.227 17894 4925 1 19 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.207 0.185 17894 4926 1 19 . 1 1 20 20 LEU H H 20 8.321 8.321 8.268 0.053 17894 4927 1 19 . 1 1 21 21 ALA N N 21 119.830 119.830 121.189 -1.359 17894 4928 1 19 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.896 -0.187 17894 4929 1 19 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.090 1.182 17894 4930 1 19 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.068 -0.333 17894 4931 1 19 . 1 1 21 21 ALA H H 21 8.595 8.595 8.806 -0.211 17894 4932 1 19 . 1 1 22 22 ALA N N 22 117.258 117.258 121.476 -4.218 17894 4933 1 19 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.960 0.303 17894 4934 1 19 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.820 0.689 17894 4935 1 19 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.513 0.017 17894 4936 1 19 . 1 1 22 22 ALA H H 22 7.818 7.818 8.119 -0.301 17894 4937 1 19 . 1 1 23 23 LEU N N 23 118.586 118.586 118.304 0.282 17894 4938 1 19 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.658 0.302 17894 4939 1 19 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.173 0.827 17894 4940 1 19 . 1 1 23 23 LEU H H 23 7.537 7.537 8.053 -0.516 17894 4941 1 19 . 1 1 24 24 LEU N N 24 114.488 114.488 114.673 -0.185 17894 4942 1 19 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.269 -0.006 17894 4943 1 19 . 1 1 24 24 LEU CA C 24 55.694 55.694 56.218 -0.523 17894 4944 1 19 . 1 1 24 24 LEU H H 24 7.448 7.448 8.064 -0.616 17894 4945 1 19 . 1 1 25 25 GLU N N 25 114.895 114.895 112.582 2.313 17894 4946 1 19 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.008 -0.043 17894 4947 1 19 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.234 0.814 17894 4948 1 19 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.500 0.393 17894 4949 1 19 . 1 1 25 25 GLU H H 25 8.028 8.028 8.166 -0.138 17894 4950 1 19 . 1 1 26 26 VAL N N 26 109.697 109.697 112.626 -2.929 17894 4951 1 19 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.491 0.382 17894 4952 1 19 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.374 -0.193 17894 4953 1 19 . 1 1 26 26 VAL H H 26 7.990 7.990 7.793 0.197 17894 4954 1 19 . 1 1 27 27 SER N N 27 114.369 114.369 115.697 -1.328 17894 4955 1 19 . 1 1 27 27 SER HA H 27 4.643 4.643 4.455 0.188 17894 4956 1 19 . 1 1 27 27 SER CA C 27 57.345 57.345 58.663 -1.318 17894 4957 1 19 . 1 1 27 27 SER CB C 27 63.110 63.110 64.175 -1.065 17894 4958 1 19 . 1 1 27 27 SER H H 27 8.633 8.633 8.469 0.164 17894 4959 1 19 . 1 1 28 28 ARG N N 28 115.276 115.276 126.933 -11.657 17894 4960 1 19 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.896 -0.168 17894 4961 1 19 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.641 0.117 17894 4962 1 19 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.121 -0.171 17894 4963 1 19 . 1 1 28 28 ARG H H 28 8.236 8.236 9.098 -0.862 17894 4964 1 19 . 1 1 29 29 GLN N N 29 117.309 117.309 118.176 -0.867 17894 4965 1 19 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.342 -0.189 17894 4966 1 19 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.003 1.010 17894 4967 1 19 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.222 1.246 17894 4968 1 19 . 1 1 29 29 GLN H H 29 8.835 8.835 8.777 0.058 17894 4969 1 19 . 1 1 30 30 THR N N 30 119.984 119.984 116.026 3.958 17894 4970 1 19 . 1 1 30 30 THR HA H 30 4.418 4.418 4.011 0.407 17894 4971 1 19 . 1 1 30 30 THR CA C 30 68.600 68.600 66.327 2.273 17894 4972 1 19 . 1 1 30 30 THR CB C 30 67.556 67.556 68.679 -1.123 17894 4973 1 19 . 1 1 30 30 THR H H 30 8.136 8.136 7.672 0.464 17894 4974 1 19 . 1 1 31 31 ILE N N 31 118.828 118.828 121.129 -2.301 17894 4975 1 19 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.828 -0.043 17894 4976 1 19 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.557 -1.628 17894 4977 1 19 . 1 1 31 31 ILE CB C 31 35.977 35.977 37.200 -1.223 17894 4978 1 19 . 1 1 31 31 ILE H H 31 7.162 7.162 8.457 -1.295 17894 4979 1 19 . 1 1 32 32 ASN N N 32 118.028 118.028 116.893 1.135 17894 4980 1 19 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.632 -0.302 17894 4981 1 19 . 1 1 32 32 ASN CA C 32 58.195 58.195 54.561 3.634 17894 4982 1 19 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.471 2.674 17894 4983 1 19 . 1 1 32 32 ASN H H 32 8.668 8.668 9.047 -0.379 17894 4984 1 19 . 1 1 33 33 GLY N N 33 124.941 124.941 109.941 15.000 17894 4985 1 19 . 1 1 33 33 GLY H H 33 8.656 8.656 8.082 0.574 17894 4986 1 19 . 1 1 34 34 ILE N N 34 122.198 122.198 122.575 -0.377 17894 4987 1 19 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.865 0.419 17894 4988 1 19 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.893 0.647 17894 4989 1 19 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.052 1.134 17894 4990 1 19 . 1 1 34 34 ILE H H 34 8.205 8.205 7.396 0.809 17894 4991 1 19 . 1 1 35 35 GLU N N 35 120.651 120.651 119.093 1.558 17894 4992 1 19 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.429 -0.216 17894 4993 1 19 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.986 1.607 17894 4994 1 19 . 1 1 35 35 GLU CB C 35 29.752 29.752 28.873 0.879 17894 4995 1 19 . 1 1 35 35 GLU H H 35 8.592 8.592 7.993 0.599 17894 4996 1 19 . 1 1 36 36 LYS N N 36 115.995 115.995 119.910 -3.915 17894 4997 1 19 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.078 0.424 17894 4998 1 19 . 1 1 36 36 LYS CA C 36 56.284 56.284 59.151 -2.866 17894 4999 1 19 . 1 1 36 36 LYS CB C 36 32.839 32.839 33.345 -0.506 17894 5000 1 19 . 1 1 36 36 LYS H H 36 8.111 8.111 7.436 0.675 17894 5001 1 19 . 1 1 37 37 ASN N N 37 114.563 114.563 113.821 0.742 17894 5002 1 19 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.703 0.045 17894 5003 1 19 . 1 1 37 37 ASN CA C 37 55.688 55.688 52.943 2.745 17894 5004 1 19 . 1 1 37 37 ASN CB C 37 37.804 37.804 38.644 -0.840 17894 5005 1 19 . 1 1 37 37 ASN H H 37 8.223 8.223 8.394 -0.171 17894 5006 1 19 . 1 1 38 38 LYS N N 38 115.051 115.051 121.146 -6.095 17894 5007 1 19 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.301 0.120 17894 5008 1 19 . 1 1 38 38 LYS CA C 38 56.996 56.996 54.246 2.750 17894 5009 1 19 . 1 1 38 38 LYS CB C 38 34.136 34.136 34.873 -0.737 17894 5010 1 19 . 1 1 38 38 LYS H H 38 8.734 8.734 7.328 1.406 17894 5011 1 19 . 1 1 39 39 TYR N N 39 116.976 116.976 120.186 -3.210 17894 5012 1 19 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.306 0.303 17894 5013 1 19 . 1 1 39 39 TYR CA C 39 56.377 56.377 57.467 -1.090 17894 5014 1 19 . 1 1 39 39 TYR H H 39 7.089 7.089 7.436 -0.347 17894 5015 1 19 . 1 1 40 40 ASN N N 40 123.607 123.607 119.719 3.888 17894 5016 1 19 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.291 1.085 17894 5017 1 19 . 1 1 40 40 ASN H H 40 8.862 8.862 8.450 0.412 17894 5018 1 19 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.568 -0.779 17894 5019 1 19 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.770 0.700 17894 5020 1 19 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.403 0.058 17894 5021 1 19 . 1 1 42 42 SER N N 42 125.650 125.650 116.422 9.228 17894 5022 1 19 . 1 1 42 42 SER HA H 42 4.556 4.556 4.198 0.358 17894 5023 1 19 . 1 1 42 42 SER CA C 42 58.198 58.198 58.638 -0.440 17894 5024 1 19 . 1 1 42 42 SER H H 42 8.056 8.056 8.400 -0.344 17894 5025 1 19 . 1 1 43 43 LEU N N 43 120.689 120.689 126.769 -6.080 17894 5026 1 19 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.954 -0.041 17894 5027 1 19 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.592 0.653 17894 5028 1 19 . 1 1 43 43 LEU H H 43 9.296 9.296 8.677 0.619 17894 5029 1 19 . 1 1 44 44 GLN N N 44 115.960 115.960 118.984 -3.024 17894 5030 1 19 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.125 -0.428 17894 5031 1 19 . 1 1 44 44 GLN CA C 44 60.872 60.872 59.017 1.855 17894 5032 1 19 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.377 0.773 17894 5033 1 19 . 1 1 44 44 GLN H H 44 8.915 8.915 8.556 0.359 17894 5034 1 19 . 1 1 45 45 LEU N N 45 119.431 119.431 120.456 -1.025 17894 5035 1 19 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.099 -0.207 17894 5036 1 19 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.742 -2.218 17894 5037 1 19 . 1 1 45 45 LEU H H 45 8.093 8.093 8.057 0.036 17894 5038 1 19 . 1 1 46 46 ALA N N 46 120.497 120.497 122.635 -2.138 17894 5039 1 19 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.060 -0.026 17894 5040 1 19 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.483 1.018 17894 5041 1 19 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.069 2.584 17894 5042 1 19 . 1 1 46 46 ALA H H 46 8.512 8.512 8.802 -0.290 17894 5043 1 19 . 1 1 47 47 LEU N N 47 116.461 116.461 118.787 -2.326 17894 5044 1 19 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.871 0.343 17894 5045 1 19 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.127 0.274 17894 5046 1 19 . 1 1 47 47 LEU H H 47 8.675 8.675 8.331 0.344 17894 5047 1 19 . 1 1 48 48 LYS N N 48 120.970 120.970 120.436 0.534 17894 5048 1 19 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.139 -0.559 17894 5049 1 19 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.066 0.661 17894 5050 1 19 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.460 0.708 17894 5051 1 19 . 1 1 48 48 LYS H H 48 8.053 8.053 8.390 -0.337 17894 5052 1 19 . 1 1 49 49 ILE N N 49 120.407 120.407 120.649 -0.242 17894 5053 1 19 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.752 -0.154 17894 5054 1 19 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.235 2.867 17894 5055 1 19 . 1 1 49 49 ILE H H 49 8.783 8.783 8.781 0.002 17894 5056 1 19 . 1 1 50 50 ALA N N 50 120.445 120.445 123.445 -3.000 17894 5057 1 19 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.221 -0.151 17894 5058 1 19 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.131 1.269 17894 5059 1 19 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.443 0.462 17894 5060 1 19 . 1 1 50 50 ALA H H 50 8.182 8.182 8.786 -0.604 17894 5061 1 19 . 1 1 51 51 TYR N N 51 117.070 117.070 120.505 -3.435 17894 5062 1 19 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.050 0.303 17894 5063 1 19 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.500 0.853 17894 5064 1 19 . 1 1 51 51 TYR H H 51 8.170 8.170 8.614 -0.444 17894 5065 1 19 . 1 1 52 52 TYR N N 52 118.548 118.548 116.227 2.321 17894 5066 1 19 . 1 1 52 52 TYR HA H 52 4.304 4.304 3.842 0.462 17894 5067 1 19 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.160 2.648 17894 5068 1 19 . 1 1 52 52 TYR H H 52 9.079 9.079 8.409 0.670 17894 5069 1 19 . 1 1 53 53 LEU N N 53 115.427 115.427 117.868 -2.441 17894 5070 1 19 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.146 0.390 17894 5071 1 19 . 1 1 53 53 LEU CA C 53 55.044 55.044 55.880 -0.836 17894 5072 1 19 . 1 1 53 53 LEU H H 53 8.417 8.417 8.429 -0.012 17894 5073 1 19 . 1 1 54 54 ASN N N 54 122.105 122.105 117.016 5.089 17894 5074 1 19 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.461 -0.012 17894 5075 1 19 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.299 0.392 17894 5076 1 19 . 1 1 54 54 ASN CB C 54 38.631 38.631 37.094 1.537 17894 5077 1 19 . 1 1 54 54 ASN H H 54 8.090 8.090 8.206 -0.116 17894 5078 1 19 . 1 1 55 55 THR N N 55 114.929 114.929 114.394 0.535 17894 5079 1 19 . 1 1 55 55 THR HA H 55 4.933 4.933 4.627 0.306 17894 5080 1 19 . 1 1 55 55 THR CA C 55 60.962 60.962 61.037 -0.075 17894 5081 1 19 . 1 1 55 55 THR CB C 55 75.743 75.743 71.815 3.928 17894 5082 1 19 . 1 1 55 55 THR H H 55 8.255 8.255 8.137 0.118 17894 5083 1 19 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.613 -0.017 17894 5084 1 19 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.806 0.798 17894 5085 1 19 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.470 0.449 17894 5086 1 19 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.204 -0.134 17894 5087 1 19 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.399 2.223 17894 5088 1 19 . 1 1 58 58 GLU N N 58 123.143 123.143 118.960 4.183 17894 5089 1 19 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.492 0.382 17894 5090 1 19 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.612 -0.113 17894 5091 1 19 . 1 1 58 58 GLU H H 58 9.365 9.365 8.837 0.528 17894 5092 1 19 . 1 1 59 59 ASP N N 59 117.681 117.681 119.196 -1.515 17894 5093 1 19 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.460 0.163 17894 5094 1 19 . 1 1 59 59 ASP CA C 59 56.462 56.462 57.052 -0.590 17894 5095 1 19 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.955 -0.064 17894 5096 1 19 . 1 1 59 59 ASP H H 59 8.014 8.014 7.819 0.195 17894 5097 1 19 . 1 1 60 60 ILE N N 60 119.519 119.519 112.229 7.290 17894 5098 1 19 . 1 1 60 60 ILE H H 60 8.209 8.209 7.399 0.810 17894 5099 1 19 . 1 1 61 61 PHE N N 61 115.960 115.960 119.751 -3.791 17894 5100 1 19 . 1 1 61 61 PHE H H 61 8.532 8.532 8.755 -0.223 17894 5101 1 19 . 1 1 62 62 GLN N N 62 116.724 116.724 120.760 -4.036 17894 5102 1 19 . 1 1 62 62 GLN H H 62 8.752 8.752 8.059 0.693 17894 5103 1 19 . 1 1 63 63 TRP N N 63 125.611 125.611 121.610 4.001 17894 5104 1 19 . 1 1 63 63 TRP H H 63 9.476 9.476 8.706 0.770 17894 5105 1 19 . 1 1 64 64 GLN N N 64 127.087 127.087 124.059 3.028 17894 5106 1 19 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.763 -0.584 17894 5107 1 19 . 1 1 64 64 GLN CA C 64 52.402 52.402 52.844 -0.442 17894 5108 1 19 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.758 1.815 17894 5109 1 19 . 1 1 64 64 GLN H H 64 7.989 7.989 8.203 -0.214 17894 5110 1 19 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.303 0.379 17894 5111 1 19 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.007 -1.493 17894 5112 1 20 . 1 1 2 2 ILE N N 2 123.202 123.202 121.278 1.924 17894 5113 1 20 . 1 1 2 2 ILE CB C 2 40.032 40.032 37.597 2.435 17894 5114 1 20 . 1 1 2 2 ILE H H 2 9.148 9.148 8.134 1.014 17894 5115 1 20 . 1 1 3 3 ILE N N 3 108.681 108.681 112.445 -3.764 17894 5116 1 20 . 1 1 3 3 ILE HA H 3 4.430 4.430 3.644 0.786 17894 5117 1 20 . 1 1 3 3 ILE CA C 3 60.911 60.911 63.754 -2.843 17894 5118 1 20 . 1 1 3 3 ILE CB C 3 39.555 39.555 35.810 3.744 17894 5119 1 20 . 1 1 3 3 ILE H H 3 9.416 9.416 8.179 1.237 17894 5120 1 20 . 1 1 4 4 ASN N N 4 123.966 123.966 116.668 7.298 17894 5121 1 20 . 1 1 4 4 ASN H H 4 9.081 9.081 8.736 0.345 17894 5122 1 20 . 1 1 5 5 ASN N N 5 120.745 120.745 115.058 5.687 17894 5123 1 20 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.485 0.944 17894 5124 1 20 . 1 1 5 5 ASN CA C 5 52.356 52.356 53.110 -0.754 17894 5125 1 20 . 1 1 5 5 ASN CB C 5 40.713 40.713 36.670 4.043 17894 5126 1 20 . 1 1 5 5 ASN H H 5 9.369 9.369 8.369 1.000 17894 5127 1 20 . 1 1 6 6 LEU N N 6 120.594 120.594 123.035 -2.441 17894 5128 1 20 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.876 -0.110 17894 5129 1 20 . 1 1 6 6 LEU CA C 6 60.599 60.599 57.947 2.652 17894 5130 1 20 . 1 1 6 6 LEU H H 6 8.538 8.538 8.450 0.088 17894 5131 1 20 . 1 1 7 7 LYS N N 7 118.177 118.177 118.468 -0.291 17894 5132 1 20 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.913 -0.005 17894 5133 1 20 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.085 2.221 17894 5134 1 20 . 1 1 7 7 LYS CB C 7 33.203 33.203 30.565 2.638 17894 5135 1 20 . 1 1 7 7 LYS H H 7 8.940 8.940 7.692 1.248 17894 5136 1 20 . 1 1 8 8 LEU N N 8 116.356 116.356 119.840 -3.484 17894 5137 1 20 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.136 0.036 17894 5138 1 20 . 1 1 8 8 LEU CA C 8 58.290 58.290 56.864 1.426 17894 5139 1 20 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.587 2.341 17894 5140 1 20 . 1 1 8 8 LEU H H 8 7.687 7.687 7.849 -0.162 17894 5141 1 20 . 1 1 9 9 ILE N N 9 119.134 119.134 118.511 0.623 17894 5142 1 20 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.555 0.258 17894 5143 1 20 . 1 1 9 9 ILE CA C 9 63.858 63.858 65.365 -1.507 17894 5144 1 20 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.607 0.223 17894 5145 1 20 . 1 1 9 9 ILE H H 9 8.225 8.225 7.197 1.028 17894 5146 1 20 . 1 1 10 10 ARG N N 10 120.162 120.162 120.799 -0.637 17894 5147 1 20 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.849 0.030 17894 5148 1 20 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.900 1.768 17894 5149 1 20 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.331 -0.932 17894 5150 1 20 . 1 1 10 10 ARG H H 10 9.259 9.259 8.692 0.567 17894 5151 1 20 . 1 1 11 11 GLU N N 11 115.878 115.878 117.346 -1.468 17894 5152 1 20 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.177 -0.005 17894 5153 1 20 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.438 1.848 17894 5154 1 20 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.918 0.896 17894 5155 1 20 . 1 1 11 11 GLU H H 11 8.703 8.703 8.651 0.052 17894 5156 1 20 . 1 1 12 12 LYS N N 12 122.935 122.935 121.277 1.658 17894 5157 1 20 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.037 0.169 17894 5158 1 20 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.134 1.141 17894 5159 1 20 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.573 0.325 17894 5160 1 20 . 1 1 12 12 LYS H H 12 8.256 8.256 8.065 0.191 17894 5161 1 20 . 1 1 13 13 LYS N N 13 116.350 116.350 115.198 1.152 17894 5162 1 20 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.397 -0.101 17894 5163 1 20 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.676 0.255 17894 5164 1 20 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.648 -0.199 17894 5165 1 20 . 1 1 13 13 LYS H H 13 7.813 7.813 7.602 0.211 17894 5166 1 20 . 1 1 14 14 LYS N N 14 115.317 115.317 116.128 -0.811 17894 5167 1 20 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.955 0.008 17894 5168 1 20 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.671 1.117 17894 5169 1 20 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.780 -0.732 17894 5170 1 20 . 1 1 14 14 LYS H H 14 8.068 8.068 7.301 0.767 17894 5171 1 20 . 1 1 15 15 ILE N N 15 118.373 118.373 120.067 -1.694 17894 5172 1 20 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.229 0.383 17894 5173 1 20 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.167 0.891 17894 5174 1 20 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.162 3.634 17894 5175 1 20 . 1 1 15 15 ILE H H 15 7.573 7.573 8.363 -0.790 17894 5176 1 20 . 1 1 16 16 SER N N 16 125.057 125.057 123.297 1.760 17894 5177 1 20 . 1 1 16 16 SER HA H 16 4.566 4.566 4.506 0.060 17894 5178 1 20 . 1 1 16 16 SER CA C 16 57.781 57.781 58.557 -0.776 17894 5179 1 20 . 1 1 16 16 SER H H 16 9.457 9.457 9.137 0.320 17894 5180 1 20 . 1 1 17 17 GLN N N 17 120.197 120.197 124.057 -3.860 17894 5181 1 20 . 1 1 17 17 GLN HA H 17 3.778 3.778 3.979 -0.201 17894 5182 1 20 . 1 1 17 17 GLN CA C 17 62.662 62.662 60.035 2.627 17894 5183 1 20 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.285 1.376 17894 5184 1 20 . 1 1 17 17 GLN H H 17 9.544 9.544 9.092 0.452 17894 5185 1 20 . 1 1 18 18 SER N N 18 112.998 112.998 114.525 -1.527 17894 5186 1 20 . 1 1 18 18 SER H H 18 8.985 8.985 8.657 0.328 17894 5187 1 20 . 1 1 19 19 GLU N N 19 124.112 124.112 121.551 2.561 17894 5188 1 20 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.128 -0.022 17894 5189 1 20 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.796 0.717 17894 5190 1 20 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.874 1.565 17894 5191 1 20 . 1 1 19 19 GLU H H 19 8.349 8.349 8.514 -0.165 17894 5192 1 20 . 1 1 20 20 LEU N N 20 119.955 119.955 121.486 -1.531 17894 5193 1 20 . 1 1 20 20 LEU HA H 20 4.126 4.126 4.010 0.116 17894 5194 1 20 . 1 1 20 20 LEU CA C 20 58.392 58.392 57.859 0.533 17894 5195 1 20 . 1 1 20 20 LEU H H 20 8.321 8.321 8.035 0.286 17894 5196 1 20 . 1 1 21 21 ALA N N 21 119.830 119.830 120.816 -0.986 17894 5197 1 20 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.936 -0.227 17894 5198 1 20 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.076 1.196 17894 5199 1 20 . 1 1 21 21 ALA CB C 21 17.735 17.735 17.924 -0.189 17894 5200 1 20 . 1 1 21 21 ALA H H 21 8.595 8.595 8.806 -0.211 17894 5201 1 20 . 1 1 22 22 ALA N N 22 117.258 117.258 121.911 -4.653 17894 5202 1 20 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.992 0.271 17894 5203 1 20 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.825 0.684 17894 5204 1 20 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.388 0.142 17894 5205 1 20 . 1 1 22 22 ALA H H 22 7.818 7.818 8.036 -0.218 17894 5206 1 20 . 1 1 23 23 LEU N N 23 118.586 118.586 118.107 0.479 17894 5207 1 20 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.727 0.233 17894 5208 1 20 . 1 1 23 23 LEU CA C 23 58.000 58.000 57.239 0.761 17894 5209 1 20 . 1 1 23 23 LEU H H 23 7.537 7.537 7.891 -0.354 17894 5210 1 20 . 1 1 24 24 LEU N N 24 114.488 114.488 112.723 1.765 17894 5211 1 20 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.062 0.201 17894 5212 1 20 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.493 0.201 17894 5213 1 20 . 1 1 24 24 LEU H H 24 7.448 7.448 7.546 -0.098 17894 5214 1 20 . 1 1 25 25 GLU N N 25 114.895 114.895 113.003 1.892 17894 5215 1 20 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.036 -0.071 17894 5216 1 20 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.018 1.030 17894 5217 1 20 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.816 0.077 17894 5218 1 20 . 1 1 25 25 GLU H H 25 8.028 8.028 7.667 0.361 17894 5219 1 20 . 1 1 26 26 VAL N N 26 109.697 109.697 112.382 -2.685 17894 5220 1 20 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.626 0.247 17894 5221 1 20 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.465 -0.284 17894 5222 1 20 . 1 1 26 26 VAL H H 26 7.990 7.990 7.909 0.081 17894 5223 1 20 . 1 1 27 27 SER N N 27 114.369 114.369 116.628 -2.259 17894 5224 1 20 . 1 1 27 27 SER HA H 27 4.643 4.643 4.642 0.001 17894 5225 1 20 . 1 1 27 27 SER CA C 27 57.345 57.345 57.595 -0.250 17894 5226 1 20 . 1 1 27 27 SER CB C 27 63.110 63.110 64.451 -1.341 17894 5227 1 20 . 1 1 27 27 SER H H 27 8.633 8.633 8.559 0.074 17894 5228 1 20 . 1 1 28 28 ARG N N 28 115.276 115.276 125.051 -9.775 17894 5229 1 20 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.929 -0.201 17894 5230 1 20 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.397 0.361 17894 5231 1 20 . 1 1 28 28 ARG CB C 28 29.950 29.950 29.869 0.081 17894 5232 1 20 . 1 1 28 28 ARG H H 28 8.236 8.236 8.986 -0.750 17894 5233 1 20 . 1 1 29 29 GLN N N 29 117.309 117.309 115.247 2.062 17894 5234 1 20 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.015 0.138 17894 5235 1 20 . 1 1 29 29 GLN CA C 29 60.013 60.013 58.848 1.165 17894 5236 1 20 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.683 0.784 17894 5237 1 20 . 1 1 29 29 GLN H H 29 8.835 8.835 8.846 -0.011 17894 5238 1 20 . 1 1 30 30 THR N N 30 119.984 119.984 115.749 4.235 17894 5239 1 20 . 1 1 30 30 THR HA H 30 4.418 4.418 4.077 0.341 17894 5240 1 20 . 1 1 30 30 THR CA C 30 68.600 68.600 65.685 2.915 17894 5241 1 20 . 1 1 30 30 THR CB C 30 67.556 67.556 68.520 -0.964 17894 5242 1 20 . 1 1 30 30 THR H H 30 8.136 8.136 7.416 0.720 17894 5243 1 20 . 1 1 31 31 ILE N N 31 118.828 118.828 121.833 -3.005 17894 5244 1 20 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.779 0.006 17894 5245 1 20 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.472 -1.543 17894 5246 1 20 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.967 -0.990 17894 5247 1 20 . 1 1 31 31 ILE H H 31 7.162 7.162 7.488 -0.326 17894 5248 1 20 . 1 1 32 32 ASN N N 32 118.028 118.028 117.426 0.602 17894 5249 1 20 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.515 -0.185 17894 5250 1 20 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.850 2.345 17894 5251 1 20 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.997 2.148 17894 5252 1 20 . 1 1 32 32 ASN H H 32 8.668 8.668 8.890 -0.222 17894 5253 1 20 . 1 1 33 33 GLY N N 33 124.941 124.941 108.905 16.036 17894 5254 1 20 . 1 1 33 33 GLY H H 33 8.656 8.656 7.494 1.162 17894 5255 1 20 . 1 1 34 34 ILE N N 34 122.198 122.198 122.824 -0.626 17894 5256 1 20 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.547 0.737 17894 5257 1 20 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.932 0.608 17894 5258 1 20 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.112 1.073 17894 5259 1 20 . 1 1 34 34 ILE H H 34 8.205 8.205 7.830 0.375 17894 5260 1 20 . 1 1 35 35 GLU N N 35 120.651 120.651 117.140 3.511 17894 5261 1 20 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.250 -0.037 17894 5262 1 20 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.891 1.701 17894 5263 1 20 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.313 0.439 17894 5264 1 20 . 1 1 35 35 GLU H H 35 8.592 8.592 8.030 0.562 17894 5265 1 20 . 1 1 36 36 LYS N N 36 115.995 115.995 118.269 -2.274 17894 5266 1 20 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.289 0.213 17894 5267 1 20 . 1 1 36 36 LYS CA C 36 56.284 56.284 57.343 -1.058 17894 5268 1 20 . 1 1 36 36 LYS CB C 36 32.839 32.839 34.113 -1.274 17894 5269 1 20 . 1 1 36 36 LYS H H 36 8.111 8.111 7.687 0.424 17894 5270 1 20 . 1 1 37 37 ASN N N 37 114.563 114.563 115.993 -1.430 17894 5271 1 20 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.658 0.090 17894 5272 1 20 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.599 2.088 17894 5273 1 20 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.537 -1.733 17894 5274 1 20 . 1 1 37 37 ASN H H 37 8.223 8.223 8.355 -0.132 17894 5275 1 20 . 1 1 38 38 LYS N N 38 115.051 115.051 123.988 -8.937 17894 5276 1 20 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.287 0.134 17894 5277 1 20 . 1 1 38 38 LYS CA C 38 56.996 56.996 56.904 0.092 17894 5278 1 20 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.339 0.797 17894 5279 1 20 . 1 1 38 38 LYS H H 38 8.734 8.734 8.454 0.280 17894 5280 1 20 . 1 1 39 39 TYR N N 39 116.976 116.976 116.786 0.190 17894 5281 1 20 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.741 -0.132 17894 5282 1 20 . 1 1 39 39 TYR CA C 39 56.377 56.377 55.434 0.943 17894 5283 1 20 . 1 1 39 39 TYR H H 39 7.089 7.089 7.531 -0.442 17894 5284 1 20 . 1 1 40 40 ASN N N 40 123.607 123.607 120.624 2.983 17894 5285 1 20 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.817 0.559 17894 5286 1 20 . 1 1 40 40 ASN H H 40 8.862 8.862 8.516 0.346 17894 5287 1 20 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.506 -0.717 17894 5288 1 20 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.823 0.647 17894 5289 1 20 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.161 0.300 17894 5290 1 20 . 1 1 42 42 SER N N 42 125.650 125.650 116.802 8.848 17894 5291 1 20 . 1 1 42 42 SER HA H 42 4.556 4.556 4.240 0.316 17894 5292 1 20 . 1 1 42 42 SER CA C 42 58.198 58.198 59.133 -0.935 17894 5293 1 20 . 1 1 42 42 SER H H 42 8.056 8.056 8.237 -0.181 17894 5294 1 20 . 1 1 43 43 LEU N N 43 120.689 120.689 125.417 -4.728 17894 5295 1 20 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.909 0.004 17894 5296 1 20 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.473 0.772 17894 5297 1 20 . 1 1 43 43 LEU H H 43 9.296 9.296 8.768 0.528 17894 5298 1 20 . 1 1 44 44 GLN N N 44 115.960 115.960 119.777 -3.817 17894 5299 1 20 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.116 -0.419 17894 5300 1 20 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.769 2.103 17894 5301 1 20 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.556 0.594 17894 5302 1 20 . 1 1 44 44 GLN H H 44 8.915 8.915 8.448 0.467 17894 5303 1 20 . 1 1 45 45 LEU N N 45 119.431 119.431 120.494 -1.063 17894 5304 1 20 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.088 -0.196 17894 5305 1 20 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.816 -2.292 17894 5306 1 20 . 1 1 45 45 LEU H H 45 8.093 8.093 7.994 0.099 17894 5307 1 20 . 1 1 46 46 ALA N N 46 120.497 120.497 122.301 -1.804 17894 5308 1 20 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.057 -0.023 17894 5309 1 20 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.345 1.156 17894 5310 1 20 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.149 2.504 17894 5311 1 20 . 1 1 46 46 ALA H H 46 8.512 8.512 8.704 -0.192 17894 5312 1 20 . 1 1 47 47 LEU N N 47 116.461 116.461 118.826 -2.365 17894 5313 1 20 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.901 0.313 17894 5314 1 20 . 1 1 47 47 LEU CA C 47 58.401 58.401 57.986 0.415 17894 5315 1 20 . 1 1 47 47 LEU H H 47 8.675 8.675 8.597 0.078 17894 5316 1 20 . 1 1 48 48 LYS N N 48 120.970 120.970 120.346 0.624 17894 5317 1 20 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.254 -0.674 17894 5318 1 20 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.133 0.594 17894 5319 1 20 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.450 0.718 17894 5320 1 20 . 1 1 48 48 LYS H H 48 8.053 8.053 8.429 -0.376 17894 5321 1 20 . 1 1 49 49 ILE N N 49 120.407 120.407 120.558 -0.151 17894 5322 1 20 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.777 -0.179 17894 5323 1 20 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.624 2.478 17894 5324 1 20 . 1 1 49 49 ILE H H 49 8.783 8.783 8.488 0.295 17894 5325 1 20 . 1 1 50 50 ALA N N 50 120.445 120.445 123.274 -2.829 17894 5326 1 20 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.280 -0.210 17894 5327 1 20 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.003 1.397 17894 5328 1 20 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.534 0.371 17894 5329 1 20 . 1 1 50 50 ALA H H 50 8.182 8.182 8.376 -0.194 17894 5330 1 20 . 1 1 51 51 TYR N N 51 117.070 117.070 120.281 -3.211 17894 5331 1 20 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.015 0.338 17894 5332 1 20 . 1 1 51 51 TYR CA C 51 62.353 62.353 62.270 0.083 17894 5333 1 20 . 1 1 51 51 TYR H H 51 8.170 8.170 8.554 -0.384 17894 5334 1 20 . 1 1 52 52 TYR N N 52 118.548 118.548 115.882 2.666 17894 5335 1 20 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.263 0.041 17894 5336 1 20 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.557 2.251 17894 5337 1 20 . 1 1 52 52 TYR H H 52 9.079 9.079 8.728 0.351 17894 5338 1 20 . 1 1 53 53 LEU N N 53 115.427 115.427 117.570 -2.143 17894 5339 1 20 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.203 0.333 17894 5340 1 20 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.010 -0.966 17894 5341 1 20 . 1 1 53 53 LEU H H 53 8.417 8.417 8.167 0.250 17894 5342 1 20 . 1 1 54 54 ASN N N 54 122.105 122.105 116.502 5.603 17894 5343 1 20 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.314 0.135 17894 5344 1 20 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.505 0.186 17894 5345 1 20 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.396 2.235 17894 5346 1 20 . 1 1 54 54 ASN H H 54 8.090 8.090 7.815 0.275 17894 5347 1 20 . 1 1 55 55 THR N N 55 114.929 114.929 114.536 0.393 17894 5348 1 20 . 1 1 55 55 THR HA H 55 4.933 4.933 4.625 0.308 17894 5349 1 20 . 1 1 55 55 THR CA C 55 60.962 60.962 60.328 0.634 17894 5350 1 20 . 1 1 55 55 THR CB C 55 75.743 75.743 71.962 3.781 17894 5351 1 20 . 1 1 55 55 THR H H 55 8.255 8.255 7.973 0.282 17894 5352 1 20 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.507 0.089 17894 5353 1 20 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.743 0.861 17894 5354 1 20 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.449 0.470 17894 5355 1 20 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.141 -0.071 17894 5356 1 20 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.294 2.328 17894 5357 1 20 . 1 1 58 58 GLU N N 58 123.143 123.143 118.168 4.975 17894 5358 1 20 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.296 0.578 17894 5359 1 20 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.580 -0.081 17894 5360 1 20 . 1 1 58 58 GLU H H 58 9.365 9.365 8.619 0.746 17894 5361 1 20 . 1 1 59 59 ASP N N 59 117.681 117.681 118.834 -1.153 17894 5362 1 20 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.416 0.207 17894 5363 1 20 . 1 1 59 59 ASP CA C 59 56.462 56.462 57.019 -0.557 17894 5364 1 20 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.790 0.101 17894 5365 1 20 . 1 1 59 59 ASP H H 59 8.014 8.014 7.658 0.356 17894 5366 1 20 . 1 1 60 60 ILE N N 60 119.519 119.519 113.667 5.852 17894 5367 1 20 . 1 1 60 60 ILE H H 60 8.209 8.209 7.260 0.949 17894 5368 1 20 . 1 1 61 61 PHE N N 61 115.960 115.960 120.278 -4.318 17894 5369 1 20 . 1 1 61 61 PHE H H 61 8.532 8.532 8.166 0.366 17894 5370 1 20 . 1 1 62 62 GLN N N 62 116.724 116.724 122.178 -5.454 17894 5371 1 20 . 1 1 62 62 GLN H H 62 8.752 8.752 8.096 0.656 17894 5372 1 20 . 1 1 63 63 TRP N N 63 125.611 125.611 123.448 2.163 17894 5373 1 20 . 1 1 63 63 TRP H H 63 9.476 9.476 8.811 0.665 17894 5374 1 20 . 1 1 64 64 GLN N N 64 127.087 127.087 125.878 1.209 17894 5375 1 20 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.753 -0.574 17894 5376 1 20 . 1 1 64 64 GLN CA C 64 52.402 52.402 56.198 -3.796 17894 5377 1 20 . 1 1 64 64 GLN CB C 64 31.573 31.573 27.686 3.887 17894 5378 1 20 . 1 1 64 64 GLN H H 64 7.989 7.989 8.650 -0.661 17894 5379 1 20 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.394 0.288 17894 5380 1 20 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.479 -1.965 17894 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 60 4.252 0.079 4.288 17894 2 1 1 "Average Difference" HA 55 0.324 -0.057 0.322 17894 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17894 4 1 1 "Average Difference" CA 55 1.614 -0.607 1.510 17894 5 1 1 "Average Difference" CB 39 1.789 -0.950 1.536 17894 6 1 1 "Average Difference" HN 60 0.547 -0.186 0.518 17894 7 1 2 "Average Difference" N 60 4.753 0.636 4.750 17894 8 1 2 "Average Difference" HA 55 0.324 -0.085 0.315 17894 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17894 10 1 2 "Average Difference" CA 55 1.497 -0.688 1.341 17894 11 1 2 "Average Difference" CB 39 1.590 -0.854 1.359 17894 12 1 2 "Average Difference" HN 60 0.532 -0.174 0.507 17894 13 1 3 "Average Difference" N 60 4.888 0.318 4.918 17894 14 1 3 "Average Difference" HA 55 0.306 -0.074 0.300 17894 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17894 16 1 3 "Average Difference" CA 55 1.462 -0.640 1.326 17894 17 1 3 "Average Difference" CB 39 1.509 -0.733 1.336 17894 18 1 3 "Average Difference" HN 60 0.540 -0.150 0.523 17894 19 1 4 "Average Difference" N 60 4.261 0.201 4.292 17894 20 1 4 "Average Difference" HA 55 0.320 -0.076 0.314 17894 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17894 22 1 4 "Average Difference" CA 55 1.441 -0.631 1.308 17894 23 1 4 "Average Difference" CB 39 1.800 -0.934 1.558 17894 24 1 4 "Average Difference" HN 60 0.528 -0.158 0.508 17894 25 1 5 "Average Difference" N 60 4.795 0.264 4.828 17894 26 1 5 "Average Difference" HA 55 0.324 -0.095 0.313 17894 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17894 28 1 5 "Average Difference" CA 55 1.498 -0.641 1.366 17894 29 1 5 "Average Difference" CB 39 1.581 -0.811 1.375 17894 30 1 5 "Average Difference" HN 60 0.579 -0.233 0.535 17894 31 1 6 "Average Difference" N 60 4.428 0.030 4.465 17894 32 1 6 "Average Difference" HA 55 0.322 -0.098 0.309 17894 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17894 34 1 6 "Average Difference" CA 55 1.591 -0.524 1.516 17894 35 1 6 "Average Difference" CB 39 1.791 -0.947 1.541 17894 36 1 6 "Average Difference" HN 60 0.551 -0.189 0.522 17894 37 1 7 "Average Difference" N 60 3.965 0.176 3.994 17894 38 1 7 "Average Difference" HA 55 0.338 -0.091 0.329 17894 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17894 40 1 7 "Average Difference" CA 55 1.497 -0.665 1.353 17894 41 1 7 "Average Difference" CB 39 1.545 -0.852 1.306 17894 42 1 7 "Average Difference" HN 60 0.603 -0.238 0.559 17894 43 1 8 "Average Difference" N 60 4.838 0.543 4.848 17894 44 1 8 "Average Difference" HA 55 0.321 -0.101 0.308 17894 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17894 46 1 8 "Average Difference" CA 55 1.460 -0.726 1.278 17894 47 1 8 "Average Difference" CB 39 1.646 -0.813 1.450 17894 48 1 8 "Average Difference" HN 60 0.616 -0.243 0.571 17894 49 1 9 "Average Difference" N 60 4.823 0.529 4.834 17894 50 1 9 "Average Difference" HA 55 0.290 -0.059 0.287 17894 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17894 52 1 9 "Average Difference" CA 55 1.625 -0.729 1.466 17894 53 1 9 "Average Difference" CB 39 1.491 -0.780 1.287 17894 54 1 9 "Average Difference" HN 60 0.565 -0.221 0.524 17894 55 1 10 "Average Difference" N 60 4.820 0.571 4.826 17894 56 1 10 "Average Difference" HA 55 0.323 -0.079 0.316 17894 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17894 58 1 10 "Average Difference" CA 55 1.550 -0.712 1.390 17894 59 1 10 "Average Difference" CB 39 1.469 -0.782 1.259 17894 60 1 10 "Average Difference" HN 60 0.569 -0.188 0.542 17894 61 1 11 "Average Difference" N 60 4.773 0.111 4.812 17894 62 1 11 "Average Difference" HA 55 0.324 -0.089 0.315 17894 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17894 64 1 11 "Average Difference" CA 55 1.612 -0.654 1.487 17894 65 1 11 "Average Difference" CB 39 1.588 -0.839 1.366 17894 66 1 11 "Average Difference" HN 60 0.554 -0.187 0.526 17894 67 1 12 "Average Difference" N 60 4.848 0.739 4.832 17894 68 1 12 "Average Difference" HA 55 0.284 -0.065 0.280 17894 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17894 70 1 12 "Average Difference" CA 55 1.441 -0.804 1.208 17894 71 1 12 "Average Difference" CB 39 1.506 -0.833 1.271 17894 72 1 12 "Average Difference" HN 60 0.604 -0.248 0.555 17894 73 1 13 "Average Difference" N 60 4.676 0.634 4.672 17894 74 1 13 "Average Difference" HA 55 0.313 -0.077 0.306 17894 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17894 76 1 13 "Average Difference" CA 55 1.490 -0.802 1.267 17894 77 1 13 "Average Difference" CB 39 1.665 -0.823 1.466 17894 78 1 13 "Average Difference" HN 60 0.489 -0.135 0.474 17894 79 1 14 "Average Difference" N 60 4.278 0.122 4.313 17894 80 1 14 "Average Difference" HA 55 0.304 -0.053 0.302 17894 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17894 82 1 14 "Average Difference" CA 55 1.579 -0.715 1.421 17894 83 1 14 "Average Difference" CB 39 1.518 -0.794 1.311 17894 84 1 14 "Average Difference" HN 60 0.560 -0.272 0.493 17894 85 1 15 "Average Difference" N 60 4.772 0.465 4.789 17894 86 1 15 "Average Difference" HA 55 0.312 -0.087 0.302 17894 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17894 88 1 15 "Average Difference" CA 55 1.550 -0.885 1.284 17894 89 1 15 "Average Difference" CB 39 1.609 -0.941 1.323 17894 90 1 15 "Average Difference" HN 60 0.596 -0.264 0.538 17894 91 1 16 "Average Difference" N 60 4.519 -0.139 4.555 17894 92 1 16 "Average Difference" HA 55 0.305 -0.057 0.302 17894 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17894 94 1 16 "Average Difference" CA 55 1.675 -0.713 1.529 17894 95 1 16 "Average Difference" CB 39 1.593 -0.868 1.353 17894 96 1 16 "Average Difference" HN 60 0.565 -0.282 0.494 17894 97 1 17 "Average Difference" N 60 4.729 0.581 4.733 17894 98 1 17 "Average Difference" HA 55 0.303 -0.084 0.294 17894 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17894 100 1 17 "Average Difference" CA 55 1.511 -0.629 1.386 17894 101 1 17 "Average Difference" CB 39 1.565 -0.848 1.333 17894 102 1 17 "Average Difference" HN 60 0.573 -0.160 0.555 17894 103 1 18 "Average Difference" N 60 4.200 0.116 4.233 17894 104 1 18 "Average Difference" HA 55 0.306 -0.089 0.295 17894 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17894 106 1 18 "Average Difference" CA 55 1.597 -0.567 1.507 17894 107 1 18 "Average Difference" CB 39 1.820 -0.958 1.567 17894 108 1 18 "Average Difference" HN 60 0.606 -0.221 0.569 17894 109 1 19 "Average Difference" N 60 4.824 0.373 4.850 17894 110 1 19 "Average Difference" HA 55 0.312 -0.074 0.306 17894 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17894 112 1 19 "Average Difference" CA 55 1.505 -0.561 1.410 17894 113 1 19 "Average Difference" CB 39 1.612 -0.844 1.391 17894 114 1 19 "Average Difference" HN 60 0.585 -0.152 0.570 17894 115 1 20 "Average Difference" N 60 4.079 0.040 4.113 17894 116 1 20 "Average Difference" HA 55 0.318 -0.073 0.312 17894 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17894 118 1 20 "Average Difference" CA 55 1.520 -0.538 1.435 17894 119 1 20 "Average Difference" CB 39 1.802 -0.921 1.569 17894 120 1 20 "Average Difference" HN 60 0.530 -0.234 0.479 17894 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 17894 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ILE N N 2 123.202 123.202 120.681 2.521 17894 2 1 . 1 1 2 2 ILE CB C 2 40.032 40.032 38.737 1.295 17894 3 1 . 1 1 2 2 ILE H H 2 9.148 9.148 7.986 1.162 17894 4 1 . 1 1 3 3 ILE N N 3 108.681 108.681 122.387 -13.706 17894 5 1 . 1 1 3 3 ILE HA H 3 4.430 4.430 4.022 0.408 17894 6 1 . 1 1 3 3 ILE CA C 3 60.911 60.911 61.015 -0.104 17894 7 1 . 1 1 3 3 ILE CB C 3 39.555 39.555 36.923 2.632 17894 8 1 . 1 1 3 3 ILE H H 3 9.416 9.416 8.306 1.110 17894 9 1 . 1 1 4 4 ASN N N 4 123.966 123.966 121.699 2.267 17894 10 1 . 1 1 4 4 ASN H H 4 9.081 9.081 8.802 0.279 17894 11 1 . 1 1 5 5 ASN N N 5 120.745 120.745 119.532 1.213 17894 12 1 . 1 1 5 5 ASN HA H 5 5.429 5.429 4.669 0.760 17894 13 1 . 1 1 5 5 ASN CA C 5 52.356 52.356 52.703 -0.347 17894 14 1 . 1 1 5 5 ASN CB C 5 40.713 40.713 37.680 3.033 17894 15 1 . 1 1 5 5 ASN H H 5 9.369 9.369 8.581 0.788 17894 16 1 . 1 1 6 6 LEU N N 6 120.594 120.594 123.028 -2.434 17894 17 1 . 1 1 6 6 LEU HA H 6 3.766 3.766 3.852 -0.086 17894 18 1 . 1 1 6 6 LEU CA C 6 60.599 60.599 58.212 2.387 17894 19 1 . 1 1 6 6 LEU H H 6 8.538 8.538 8.013 0.525 17894 20 1 . 1 1 7 7 LYS N N 7 118.177 118.177 118.145 0.032 17894 21 1 . 1 1 7 7 LYS HA H 7 3.908 3.908 3.969 -0.061 17894 22 1 . 1 1 7 7 LYS CA C 7 61.306 61.306 59.160 2.146 17894 23 1 . 1 1 7 7 LYS CB C 7 33.203 33.203 31.032 2.171 17894 24 1 . 1 1 7 7 LYS H H 7 8.940 8.940 7.957 0.983 17894 25 1 . 1 1 8 8 LEU N N 8 116.356 116.356 119.924 -3.568 17894 26 1 . 1 1 8 8 LEU HA H 8 4.172 4.172 4.128 0.044 17894 27 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.043 1.247 17894 28 1 . 1 1 8 8 LEU CB C 8 42.928 42.928 40.709 2.219 17894 29 1 . 1 1 8 8 LEU H H 8 7.687 7.687 7.621 0.066 17894 30 1 . 1 1 9 9 ILE N N 9 119.134 119.134 118.705 0.429 17894 31 1 . 1 1 9 9 ILE HA H 9 3.813 3.813 3.608 0.205 17894 32 1 . 1 1 9 9 ILE CA C 9 63.858 63.858 64.974 -1.116 17894 33 1 . 1 1 9 9 ILE CB C 9 37.830 37.830 37.348 0.482 17894 34 1 . 1 1 9 9 ILE H H 9 8.225 8.225 7.558 0.667 17894 35 1 . 1 1 10 10 ARG N N 10 120.162 120.162 120.922 -0.760 17894 36 1 . 1 1 10 10 ARG HA H 10 3.879 3.879 3.879 -0.000 17894 37 1 . 1 1 10 10 ARG CA C 10 61.668 61.668 59.652 2.016 17894 38 1 . 1 1 10 10 ARG CB C 10 29.399 29.399 30.085 -0.686 17894 39 1 . 1 1 10 10 ARG H H 10 9.259 9.259 8.640 0.619 17894 40 1 . 1 1 11 11 GLU N N 11 115.878 115.878 118.576 -2.698 17894 41 1 . 1 1 11 11 GLU HA H 11 4.172 4.172 4.104 0.068 17894 42 1 . 1 1 11 11 GLU CA C 11 60.286 60.286 58.917 1.369 17894 43 1 . 1 1 11 11 GLU CB C 11 29.814 29.814 28.968 0.846 17894 44 1 . 1 1 11 11 GLU H H 11 8.703 8.703 8.848 -0.145 17894 45 1 . 1 1 12 12 LYS N N 12 122.935 122.935 121.512 1.423 17894 46 1 . 1 1 12 12 LYS HA H 12 4.206 4.206 4.018 0.188 17894 47 1 . 1 1 12 12 LYS CA C 12 60.275 60.275 59.093 1.182 17894 48 1 . 1 1 12 12 LYS CB C 12 32.898 32.898 32.523 0.375 17894 49 1 . 1 1 12 12 LYS H H 12 8.256 8.256 8.189 0.067 17894 50 1 . 1 1 13 13 LYS N N 13 116.350 116.350 115.492 0.858 17894 51 1 . 1 1 13 13 LYS HA H 13 4.296 4.296 4.363 -0.067 17894 52 1 . 1 1 13 13 LYS CA C 13 55.931 55.931 55.770 0.162 17894 53 1 . 1 1 13 13 LYS CB C 13 32.449 32.449 32.621 -0.171 17894 54 1 . 1 1 13 13 LYS H H 13 7.813 7.813 7.669 0.144 17894 55 1 . 1 1 14 14 LYS N N 14 115.317 115.317 115.868 -0.551 17894 56 1 . 1 1 14 14 LYS HA H 14 3.963 3.963 3.968 -0.005 17894 57 1 . 1 1 14 14 LYS CA C 14 57.788 57.788 56.735 1.053 17894 58 1 . 1 1 14 14 LYS CB C 14 29.048 29.048 29.715 -0.667 17894 59 1 . 1 1 14 14 LYS H H 14 8.068 8.068 7.694 0.374 17894 60 1 . 1 1 15 15 ILE N N 15 118.373 118.373 120.228 -1.855 17894 61 1 . 1 1 15 15 ILE HA H 15 4.612 4.612 4.193 0.419 17894 62 1 . 1 1 15 15 ILE CA C 15 60.058 60.058 59.176 0.882 17894 63 1 . 1 1 15 15 ILE CB C 15 41.796 41.796 38.178 3.618 17894 64 1 . 1 1 15 15 ILE H H 15 7.573 7.573 8.540 -0.967 17894 65 1 . 1 1 16 16 SER N N 16 125.057 125.057 122.633 2.424 17894 66 1 . 1 1 16 16 SER HA H 16 4.566 4.566 4.578 -0.011 17894 67 1 . 1 1 16 16 SER CA C 16 57.781 57.781 58.169 -0.388 17894 68 1 . 1 1 16 16 SER H H 16 9.457 9.457 9.319 0.138 17894 69 1 . 1 1 17 17 GLN N N 17 120.197 120.197 124.619 -4.422 17894 70 1 . 1 1 17 17 GLN HA H 17 3.778 3.778 4.029 -0.251 17894 71 1 . 1 1 17 17 GLN CA C 17 62.662 62.662 59.553 3.109 17894 72 1 . 1 1 17 17 GLN CB C 17 29.661 29.661 28.223 1.438 17894 73 1 . 1 1 17 17 GLN H H 17 9.544 9.544 9.043 0.501 17894 74 1 . 1 1 18 18 SER N N 18 112.998 112.998 115.305 -2.307 17894 75 1 . 1 1 18 18 SER H H 18 8.985 8.985 8.500 0.485 17894 76 1 . 1 1 19 19 GLU N N 19 124.112 124.112 121.959 2.153 17894 77 1 . 1 1 19 19 GLU HA H 19 4.106 4.106 4.081 0.025 17894 78 1 . 1 1 19 19 GLU CA C 19 59.513 59.513 58.839 0.674 17894 79 1 . 1 1 19 19 GLU CB C 19 30.439 30.439 28.988 1.451 17894 80 1 . 1 1 19 19 GLU H H 19 8.349 8.349 8.332 0.017 17894 81 1 . 1 1 20 20 LEU N N 20 119.955 119.955 121.102 -1.147 17894 82 1 . 1 1 20 20 LEU HA H 20 4.126 4.126 3.992 0.134 17894 83 1 . 1 1 20 20 LEU CA C 20 58.392 58.392 58.003 0.389 17894 84 1 . 1 1 20 20 LEU H H 20 8.321 8.321 7.950 0.371 17894 85 1 . 1 1 21 21 ALA N N 21 119.830 119.830 121.378 -1.547 17894 86 1 . 1 1 21 21 ALA HA H 21 3.709 3.709 3.901 -0.192 17894 87 1 . 1 1 21 21 ALA CA C 21 56.272 56.272 55.029 1.243 17894 88 1 . 1 1 21 21 ALA CB C 21 17.735 17.735 18.039 -0.304 17894 89 1 . 1 1 21 21 ALA H H 21 8.595 8.595 8.404 0.191 17894 90 1 . 1 1 22 22 ALA N N 22 117.258 117.258 121.341 -4.083 17894 91 1 . 1 1 22 22 ALA HA H 22 4.263 4.263 3.971 0.292 17894 92 1 . 1 1 22 22 ALA CA C 22 55.509 55.509 54.769 0.740 17894 93 1 . 1 1 22 22 ALA CB C 22 18.530 18.530 18.477 0.053 17894 94 1 . 1 1 22 22 ALA H H 22 7.818 7.818 7.826 -0.008 17894 95 1 . 1 1 23 23 LEU N N 23 118.586 118.586 117.997 0.589 17894 96 1 . 1 1 23 23 LEU HA H 23 3.960 3.960 3.711 0.249 17894 97 1 . 1 1 23 23 LEU CA C 23 58.000 58.000 56.920 1.080 17894 98 1 . 1 1 23 23 LEU H H 23 7.537 7.537 7.808 -0.271 17894 99 1 . 1 1 24 24 LEU N N 24 114.488 114.488 114.482 0.006 17894 100 1 . 1 1 24 24 LEU HA H 24 4.263 4.263 4.134 0.129 17894 101 1 . 1 1 24 24 LEU CA C 24 55.694 55.694 55.939 -0.245 17894 102 1 . 1 1 24 24 LEU H H 24 7.448 7.448 7.839 -0.391 17894 103 1 . 1 1 25 25 GLU N N 25 114.895 114.895 113.249 1.646 17894 104 1 . 1 1 25 25 GLU HA H 25 3.965 3.965 4.006 -0.041 17894 105 1 . 1 1 25 25 GLU CA C 25 58.048 58.048 57.211 0.837 17894 106 1 . 1 1 25 25 GLU CB C 25 27.893 27.893 27.504 0.389 17894 107 1 . 1 1 25 25 GLU H H 25 8.028 8.028 7.914 0.114 17894 108 1 . 1 1 26 26 VAL N N 26 109.697 109.697 112.820 -3.123 17894 109 1 . 1 1 26 26 VAL HA H 26 4.873 4.873 4.500 0.373 17894 110 1 . 1 1 26 26 VAL CA C 26 59.181 59.181 59.539 -0.358 17894 111 1 . 1 1 26 26 VAL H H 26 7.990 7.990 7.662 0.328 17894 112 1 . 1 1 27 27 SER N N 27 114.369 114.369 116.532 -2.163 17894 113 1 . 1 1 27 27 SER HA H 27 4.643 4.643 4.506 0.137 17894 114 1 . 1 1 27 27 SER CA C 27 57.345 57.345 58.429 -1.084 17894 115 1 . 1 1 27 27 SER CB C 27 63.110 63.110 64.045 -0.935 17894 116 1 . 1 1 27 27 SER H H 27 8.633 8.633 8.450 0.183 17894 117 1 . 1 1 28 28 ARG N N 28 115.276 115.276 126.289 -11.013 17894 118 1 . 1 1 28 28 ARG HA H 28 3.728 3.728 3.928 -0.200 17894 119 1 . 1 1 28 28 ARG CA C 28 60.758 60.758 60.260 0.498 17894 120 1 . 1 1 28 28 ARG CB C 28 29.950 29.950 30.070 -0.120 17894 121 1 . 1 1 28 28 ARG H H 28 8.236 8.236 8.980 -0.744 17894 122 1 . 1 1 29 29 GLN N N 29 117.309 117.309 117.005 0.304 17894 123 1 . 1 1 29 29 GLN HA H 29 4.153 4.153 4.138 0.015 17894 124 1 . 1 1 29 29 GLN CA C 29 60.013 60.013 59.095 0.918 17894 125 1 . 1 1 29 29 GLN CB C 29 28.468 28.468 27.519 0.949 17894 126 1 . 1 1 29 29 GLN H H 29 8.835 8.835 8.795 0.040 17894 127 1 . 1 1 30 30 THR N N 30 119.984 119.984 115.335 4.649 17894 128 1 . 1 1 30 30 THR HA H 30 4.418 4.418 4.032 0.386 17894 129 1 . 1 1 30 30 THR CA C 30 68.600 68.600 65.713 2.887 17894 130 1 . 1 1 30 30 THR CB C 30 67.556 67.556 68.439 -0.883 17894 131 1 . 1 1 30 30 THR H H 30 8.136 8.136 7.536 0.600 17894 132 1 . 1 1 31 31 ILE N N 31 118.828 118.828 122.107 -3.279 17894 133 1 . 1 1 31 31 ILE HA H 31 3.785 3.785 3.776 0.009 17894 134 1 . 1 1 31 31 ILE CA C 31 61.929 61.929 63.692 -1.763 17894 135 1 . 1 1 31 31 ILE CB C 31 35.977 35.977 36.939 -0.961 17894 136 1 . 1 1 31 31 ILE H H 31 7.162 7.162 7.781 -0.619 17894 137 1 . 1 1 32 32 ASN N N 32 118.028 118.028 117.683 0.345 17894 138 1 . 1 1 32 32 ASN HA H 32 4.330 4.330 4.655 -0.325 17894 139 1 . 1 1 32 32 ASN CA C 32 58.195 58.195 55.326 2.869 17894 140 1 . 1 1 32 32 ASN CB C 32 40.145 40.145 37.686 2.459 17894 141 1 . 1 1 32 32 ASN H H 32 8.668 8.668 8.828 -0.160 17894 142 1 . 1 1 33 33 GLY N N 33 124.941 124.941 109.382 15.559 17894 143 1 . 1 1 33 33 GLY H H 33 8.656 8.656 7.904 0.752 17894 144 1 . 1 1 34 34 ILE N N 34 122.198 122.198 122.625 -0.427 17894 145 1 . 1 1 34 34 ILE HA H 34 4.284 4.284 3.733 0.551 17894 146 1 . 1 1 34 34 ILE CA C 34 65.540 65.540 64.615 0.925 17894 147 1 . 1 1 34 34 ILE CB C 34 39.186 39.186 38.053 1.133 17894 148 1 . 1 1 34 34 ILE H H 34 8.205 8.205 8.083 0.122 17894 149 1 . 1 1 35 35 GLU N N 35 120.651 120.651 117.588 3.063 17894 150 1 . 1 1 35 35 GLU HA H 35 4.213 4.213 4.218 -0.006 17894 151 1 . 1 1 35 35 GLU CA C 35 60.592 60.592 58.661 1.931 17894 152 1 . 1 1 35 35 GLU CB C 35 29.752 29.752 29.409 0.343 17894 153 1 . 1 1 35 35 GLU H H 35 8.592 8.592 7.950 0.642 17894 154 1 . 1 1 36 36 LYS N N 36 115.995 115.995 118.830 -2.835 17894 155 1 . 1 1 36 36 LYS HA H 36 4.502 4.502 4.091 0.411 17894 156 1 . 1 1 36 36 LYS CA C 36 56.284 56.284 58.353 -2.069 17894 157 1 . 1 1 36 36 LYS CB C 36 32.839 32.839 32.977 -0.138 17894 158 1 . 1 1 36 36 LYS H H 36 8.111 8.111 7.818 0.293 17894 159 1 . 1 1 37 37 ASN N N 37 114.563 114.563 111.385 3.178 17894 160 1 . 1 1 37 37 ASN HA H 37 4.748 4.748 4.666 0.082 17894 161 1 . 1 1 37 37 ASN CA C 37 55.688 55.688 53.379 2.309 17894 162 1 . 1 1 37 37 ASN CB C 37 37.804 37.804 39.185 -1.381 17894 163 1 . 1 1 37 37 ASN H H 37 8.223 8.223 8.293 -0.070 17894 164 1 . 1 1 38 38 LYS N N 38 115.051 115.051 121.958 -6.907 17894 165 1 . 1 1 38 38 LYS HA H 38 4.421 4.421 4.099 0.322 17894 166 1 . 1 1 38 38 LYS CA C 38 56.996 56.996 55.917 1.079 17894 167 1 . 1 1 38 38 LYS CB C 38 34.136 34.136 33.537 0.599 17894 168 1 . 1 1 38 38 LYS H H 38 8.734 8.734 8.083 0.651 17894 169 1 . 1 1 39 39 TYR N N 39 116.976 116.976 118.821 -1.845 17894 170 1 . 1 1 39 39 TYR HA H 39 4.609 4.609 4.399 0.210 17894 171 1 . 1 1 39 39 TYR CA C 39 56.377 56.377 56.938 -0.561 17894 172 1 . 1 1 39 39 TYR H H 39 7.089 7.089 7.587 -0.498 17894 173 1 . 1 1 40 40 ASN N N 40 123.607 123.607 120.374 3.233 17894 174 1 . 1 1 40 40 ASN CB C 40 39.376 39.376 38.603 0.773 17894 175 1 . 1 1 40 40 ASN H H 40 8.862 8.862 8.486 0.376 17894 176 1 . 1 1 41 41 PRO HA H 41 3.789 3.789 4.513 -0.723 17894 177 1 . 1 1 41 41 PRO CA C 41 63.470 63.470 62.644 0.826 17894 178 1 . 1 1 41 41 PRO CB C 41 32.461 32.461 32.385 0.076 17894 179 1 . 1 1 42 42 SER N N 42 125.650 125.650 115.299 10.351 17894 180 1 . 1 1 42 42 SER HA H 42 4.556 4.556 4.292 0.264 17894 181 1 . 1 1 42 42 SER CA C 42 58.198 58.198 58.231 -0.033 17894 182 1 . 1 1 42 42 SER H H 42 8.056 8.056 8.232 -0.176 17894 183 1 . 1 1 43 43 LEU N N 43 120.689 120.689 124.402 -3.713 17894 184 1 . 1 1 43 43 LEU HA H 43 3.913 3.913 3.955 -0.042 17894 185 1 . 1 1 43 43 LEU CA C 43 59.245 59.245 58.474 0.771 17894 186 1 . 1 1 43 43 LEU H H 43 9.296 9.296 8.709 0.587 17894 187 1 . 1 1 44 44 GLN N N 44 115.960 115.960 119.308 -3.348 17894 188 1 . 1 1 44 44 GLN HA H 44 3.697 3.697 4.122 -0.425 17894 189 1 . 1 1 44 44 GLN CA C 44 60.872 60.872 58.869 2.003 17894 190 1 . 1 1 44 44 GLN CB C 44 29.150 29.150 28.406 0.744 17894 191 1 . 1 1 44 44 GLN H H 44 8.915 8.915 8.478 0.437 17894 192 1 . 1 1 45 45 LEU N N 45 119.431 119.431 120.562 -1.131 17894 193 1 . 1 1 45 45 LEU HA H 45 3.892 3.892 4.095 -0.203 17894 194 1 . 1 1 45 45 LEU CA C 45 55.524 55.524 57.759 -2.235 17894 195 1 . 1 1 45 45 LEU H H 45 8.093 8.093 8.004 0.089 17894 196 1 . 1 1 46 46 ALA N N 46 120.497 120.497 122.468 -1.971 17894 197 1 . 1 1 46 46 ALA HA H 46 4.034 4.034 4.079 -0.045 17894 198 1 . 1 1 46 46 ALA CA C 46 56.501 56.501 55.435 1.066 17894 199 1 . 1 1 46 46 ALA CB C 46 20.653 20.653 18.173 2.480 17894 200 1 . 1 1 46 46 ALA H H 46 8.512 8.512 8.711 -0.199 17894 201 1 . 1 1 47 47 LEU N N 47 116.461 116.461 118.824 -2.364 17894 202 1 . 1 1 47 47 LEU HA H 47 4.214 4.214 3.865 0.349 17894 203 1 . 1 1 47 47 LEU CA C 47 58.401 58.401 58.108 0.293 17894 204 1 . 1 1 47 47 LEU H H 47 8.675 8.675 8.523 0.151 17894 205 1 . 1 1 48 48 LYS N N 48 120.970 120.970 120.141 0.829 17894 206 1 . 1 1 48 48 LYS HA H 48 3.580 3.580 4.081 -0.501 17894 207 1 . 1 1 48 48 LYS CA C 48 60.727 60.727 60.020 0.707 17894 208 1 . 1 1 48 48 LYS CB C 48 33.168 33.168 32.432 0.736 17894 209 1 . 1 1 48 48 LYS H H 48 8.053 8.053 8.275 -0.222 17894 210 1 . 1 1 49 49 ILE N N 49 120.407 120.407 120.422 -0.015 17894 211 1 . 1 1 49 49 ILE HA H 49 3.598 3.598 3.767 -0.169 17894 212 1 . 1 1 49 49 ILE CA C 49 68.102 68.102 65.368 2.734 17894 213 1 . 1 1 49 49 ILE H H 49 8.783 8.783 8.534 0.249 17894 214 1 . 1 1 50 50 ALA N N 50 120.445 120.445 123.164 -2.719 17894 215 1 . 1 1 50 50 ALA HA H 50 4.070 4.070 4.148 -0.078 17894 216 1 . 1 1 50 50 ALA CA C 50 56.400 56.400 55.091 1.309 17894 217 1 . 1 1 50 50 ALA CB C 50 18.905 18.905 18.451 0.454 17894 218 1 . 1 1 50 50 ALA H H 50 8.182 8.182 8.595 -0.413 17894 219 1 . 1 1 51 51 TYR N N 51 117.070 117.070 119.491 -2.421 17894 220 1 . 1 1 51 51 TYR HA H 51 4.353 4.353 4.093 0.260 17894 221 1 . 1 1 51 51 TYR CA C 51 62.353 62.353 61.788 0.565 17894 222 1 . 1 1 51 51 TYR H H 51 8.170 8.170 8.655 -0.485 17894 223 1 . 1 1 52 52 TYR N N 52 118.548 118.548 116.447 2.101 17894 224 1 . 1 1 52 52 TYR HA H 52 4.304 4.304 4.214 0.090 17894 225 1 . 1 1 52 52 TYR CA C 52 63.808 63.808 61.099 2.709 17894 226 1 . 1 1 52 52 TYR H H 52 9.079 9.079 8.327 0.752 17894 227 1 . 1 1 53 53 LEU N N 53 115.427 115.427 117.851 -2.424 17894 228 1 . 1 1 53 53 LEU HA H 53 4.536 4.536 4.179 0.357 17894 229 1 . 1 1 53 53 LEU CA C 53 55.044 55.044 56.112 -1.068 17894 230 1 . 1 1 53 53 LEU H H 53 8.417 8.417 8.303 0.114 17894 231 1 . 1 1 54 54 ASN N N 54 122.105 122.105 115.498 6.607 17894 232 1 . 1 1 54 54 ASN HA H 54 4.449 4.449 4.424 0.025 17894 233 1 . 1 1 54 54 ASN CA C 54 54.691 54.691 54.189 0.502 17894 234 1 . 1 1 54 54 ASN CB C 54 38.631 38.631 36.780 1.851 17894 235 1 . 1 1 54 54 ASN H H 54 8.090 8.090 8.307 -0.217 17894 236 1 . 1 1 55 55 THR N N 55 114.929 114.929 114.919 0.010 17894 237 1 . 1 1 55 55 THR HA H 55 4.933 4.933 4.682 0.251 17894 238 1 . 1 1 55 55 THR CA C 55 60.962 60.962 60.161 0.801 17894 239 1 . 1 1 55 55 THR CB C 55 75.743 75.743 71.580 4.163 17894 240 1 . 1 1 55 55 THR H H 55 8.255 8.255 7.983 0.272 17894 241 1 . 1 1 56 56 PRO HA H 56 4.596 4.596 4.519 0.077 17894 242 1 . 1 1 56 56 PRO CA C 56 63.604 63.604 62.705 0.899 17894 243 1 . 1 1 56 56 PRO CB C 56 32.919 32.919 32.401 0.518 17894 244 1 . 1 1 57 57 LEU HA H 57 4.070 4.070 4.086 -0.016 17894 245 1 . 1 1 57 57 LEU CA C 57 60.622 60.622 58.457 2.165 17894 246 1 . 1 1 58 58 GLU N N 58 123.143 123.143 118.333 4.810 17894 247 1 . 1 1 58 58 GLU HA H 58 4.874 4.874 4.251 0.623 17894 248 1 . 1 1 58 58 GLU CA C 58 59.499 59.499 59.513 -0.014 17894 249 1 . 1 1 58 58 GLU H H 58 9.365 9.365 8.732 0.633 17894 250 1 . 1 1 59 59 ASP N N 59 117.681 117.681 118.540 -0.859 17894 251 1 . 1 1 59 59 ASP HA H 59 4.623 4.623 4.436 0.187 17894 252 1 . 1 1 59 59 ASP CA C 59 56.462 56.462 56.584 -0.122 17894 253 1 . 1 1 59 59 ASP CB C 59 40.891 40.891 40.769 0.122 17894 254 1 . 1 1 59 59 ASP H H 59 8.014 8.014 7.744 0.270 17894 255 1 . 1 1 60 60 ILE N N 60 119.519 119.519 113.318 6.201 17894 256 1 . 1 1 60 60 ILE H H 60 8.209 8.209 7.332 0.877 17894 257 1 . 1 1 61 61 PHE N N 61 115.960 115.960 119.083 -3.123 17894 258 1 . 1 1 61 61 PHE H H 61 8.532 8.532 8.307 0.225 17894 259 1 . 1 1 62 62 GLN N N 62 116.724 116.724 122.310 -5.586 17894 260 1 . 1 1 62 62 GLN H H 62 8.752 8.752 8.435 0.317 17894 261 1 . 1 1 63 63 TRP N N 63 125.611 125.611 123.528 2.083 17894 262 1 . 1 1 63 63 TRP H H 63 9.476 9.476 8.620 0.856 17894 263 1 . 1 1 64 64 GLN N N 64 127.087 127.087 124.792 2.295 17894 264 1 . 1 1 64 64 GLN HA H 64 4.179 4.179 4.739 -0.560 17894 265 1 . 1 1 64 64 GLN CA C 64 52.402 52.402 53.724 -1.322 17894 266 1 . 1 1 64 64 GLN CB C 64 31.573 31.573 29.331 2.242 17894 267 1 . 1 1 64 64 GLN H H 64 7.989 7.989 8.414 -0.425 17894 268 1 . 1 1 65 65 PRO HA H 65 4.682 4.682 4.279 0.403 17894 269 1 . 1 1 65 65 PRO CA C 65 62.514 62.514 64.035 -1.521 17894 stop_ save_