data_18954 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18954 _Entry.PDB_ID 2M3D 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 18954 _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 3 3 ILE N N 3 123.622 123.622 121.197 2.425 18954 2 1 1 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.467 -0.352 18954 3 1 1 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.841 -3.539 18954 4 1 1 . 1 1 3 3 ILE CB C 3 36.212 36.212 38.715 -2.503 18954 5 1 1 . 1 1 3 3 ILE H H 3 8.271 8.271 8.651 -0.380 18954 6 1 1 . 1 1 4 4 SER N N 4 120.605 120.605 121.821 -1.216 18954 7 1 1 . 1 1 4 4 SER HA H 4 4.368 4.368 4.865 -0.497 18954 8 1 1 . 1 1 4 4 SER CA C 4 55.796 55.796 57.540 -1.744 18954 9 1 1 . 1 1 4 4 SER CB C 4 60.945 60.945 64.316 -3.370 18954 10 1 1 . 1 1 4 4 SER H H 4 8.425 8.425 8.486 -0.061 18954 11 1 1 . 1 1 5 5 GLY N N 5 111.455 111.455 108.209 3.246 18954 12 1 1 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.693 -1.912 18954 13 1 1 . 1 1 5 5 GLY H H 5 8.406 8.406 8.349 0.057 18954 14 1 1 . 1 1 6 6 ALA N N 6 123.660 123.660 122.963 0.697 18954 15 1 1 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.764 -0.445 18954 16 1 1 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.653 -1.759 18954 17 1 1 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.690 -2.762 18954 18 1 1 . 1 1 6 6 ALA H H 6 8.103 8.103 7.964 0.139 18954 19 1 1 . 1 1 7 7 THR N N 7 113.014 113.014 113.734 -0.720 18954 20 1 1 . 1 1 7 7 THR HA H 7 4.309 4.309 4.448 -0.139 18954 21 1 1 . 1 1 7 7 THR CA C 7 58.886 58.886 61.972 -3.086 18954 22 1 1 . 1 1 7 7 THR CB C 7 67.461 67.461 69.605 -2.144 18954 23 1 1 . 1 1 7 7 THR H H 7 8.108 8.108 7.704 0.404 18954 24 1 1 . 1 1 8 8 SER N N 8 118.032 118.032 118.156 -0.124 18954 25 1 1 . 1 1 8 8 SER HA H 8 4.434 4.434 4.898 -0.464 18954 26 1 1 . 1 1 8 8 SER CA C 8 55.537 55.537 57.990 -2.453 18954 27 1 1 . 1 1 8 8 SER CB C 8 61.305 61.305 64.753 -3.448 18954 28 1 1 . 1 1 8 8 SER H H 8 8.222 8.222 8.449 -0.227 18954 29 1 1 . 1 1 9 9 VAL N N 9 121.129 121.129 119.885 1.244 18954 30 1 1 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.413 -0.391 18954 31 1 1 . 1 1 9 9 VAL CA C 9 60.014 60.014 61.797 -1.783 18954 32 1 1 . 1 1 9 9 VAL CB C 9 30.139 30.139 31.642 -1.503 18954 33 1 1 . 1 1 9 9 VAL H H 9 8.098 8.098 8.168 -0.070 18954 34 1 1 . 1 1 10 10 ASP N N 10 123.102 123.102 121.169 1.933 18954 35 1 1 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.813 -0.310 18954 36 1 1 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.064 -2.429 18954 37 1 1 . 1 1 10 10 ASP CB C 10 38.671 38.671 43.117 -4.446 18954 38 1 1 . 1 1 10 10 ASP H H 10 8.242 8.242 7.765 0.477 18954 39 1 1 . 1 1 11 11 GLN N N 11 121.449 121.449 118.507 2.942 18954 40 1 1 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.959 -0.794 18954 41 1 1 . 1 1 11 11 GLN CA C 11 53.773 53.773 54.801 -1.028 18954 42 1 1 . 1 1 11 11 GLN CB C 11 26.558 26.558 31.731 -5.173 18954 43 1 1 . 1 1 11 11 GLN H H 11 8.247 8.247 8.256 -0.009 18954 44 1 1 . 1 1 12 12 ARG N N 12 121.029 121.029 120.128 0.901 18954 45 1 1 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.655 -0.428 18954 46 1 1 . 1 1 12 12 ARG CA C 12 59.634 59.634 55.821 3.813 18954 47 1 1 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.755 -3.471 18954 48 1 1 . 1 1 12 12 ARG H H 12 8.215 8.215 9.430 -1.215 18954 49 1 1 . 1 1 13 13 SER N N 13 121.168 121.168 115.315 5.853 18954 50 1 1 . 1 1 13 13 SER HA H 13 4.327 4.327 4.840 -0.513 18954 51 1 1 . 1 1 13 13 SER CA C 13 56.317 56.317 57.200 -0.883 18954 52 1 1 . 1 1 13 13 SER CB C 13 61.153 61.153 65.525 -4.372 18954 53 1 1 . 1 1 13 13 SER H H 13 8.483 8.483 7.876 0.607 18954 54 1 1 . 1 1 14 14 LEU N N 14 115.731 115.731 121.950 -6.219 18954 55 1 1 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.333 -0.086 18954 56 1 1 . 1 1 14 14 LEU CA C 14 52.873 52.873 55.380 -2.507 18954 57 1 1 . 1 1 14 14 LEU CB C 14 39.689 39.689 40.840 -1.151 18954 58 1 1 . 1 1 14 14 LEU H H 14 8.124 8.124 8.571 -0.447 18954 59 1 1 . 1 1 15 15 ILE N N 15 119.991 119.991 114.042 5.949 18954 60 1 1 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.221 -0.224 18954 61 1 1 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.688 -1.849 18954 62 1 1 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.983 -1.778 18954 63 1 1 . 1 1 15 15 ILE H H 15 7.859 7.859 7.420 0.439 18954 64 1 1 . 1 1 16 16 ASN N N 16 120.780 120.780 122.560 -1.780 18954 65 1 1 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.513 0.200 18954 66 1 1 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.980 -2.527 18954 67 1 1 . 1 1 16 16 ASN H H 16 8.014 8.014 8.677 -0.663 18954 68 1 1 . 1 1 17 17 SER N N 17 115.640 115.640 108.593 7.047 18954 69 1 1 . 1 1 17 17 SER HA H 17 4.300 4.300 4.438 -0.138 18954 70 1 1 . 1 1 17 17 SER CA C 17 56.001 56.001 58.082 -2.081 18954 71 1 1 . 1 1 17 17 SER CB C 17 60.894 60.894 63.644 -2.750 18954 72 1 1 . 1 1 17 17 SER H H 17 8.121 8.121 8.025 0.096 18954 73 1 1 . 1 1 18 18 ASN N N 18 121.876 121.876 119.666 2.210 18954 74 1 1 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.570 0.161 18954 75 1 1 . 1 1 18 18 ASN CB C 18 36.293 36.293 38.869 -2.576 18954 76 1 1 . 1 1 18 18 ASN H H 18 8.376 8.376 8.186 0.190 18954 77 1 1 . 1 1 19 19 VAL N N 19 120.480 120.480 117.324 3.156 18954 78 1 1 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.165 -0.136 18954 79 1 1 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.028 -0.680 18954 80 1 1 . 1 1 19 19 VAL CB C 19 29.903 29.903 33.590 -3.687 18954 81 1 1 . 1 1 19 19 VAL H H 19 8.022 8.022 7.602 0.420 18954 82 1 1 . 1 1 20 20 GLY N N 20 112.265 112.265 114.346 -2.081 18954 83 1 1 . 1 1 20 20 GLY CA C 20 42.698 42.698 46.070 -3.372 18954 84 1 1 . 1 1 20 20 GLY H H 20 8.567 8.567 8.277 0.290 18954 85 1 1 . 1 1 21 21 PHE N N 21 119.701 119.701 120.492 -0.791 18954 86 1 1 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.463 -0.330 18954 87 1 1 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.411 -3.053 18954 88 1 1 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.548 -2.654 18954 89 1 1 . 1 1 21 21 PHE H H 21 7.917 7.917 8.225 -0.308 18954 90 1 1 . 1 1 22 22 VAL N N 22 120.733 120.733 121.044 -0.311 18954 91 1 1 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.428 -0.167 18954 92 1 1 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.973 -3.001 18954 93 1 1 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.425 -2.347 18954 94 1 1 . 1 1 22 22 VAL H H 22 9.221 9.221 9.231 -0.010 18954 95 1 1 . 1 1 23 23 THR N N 23 123.388 123.388 122.251 1.137 18954 96 1 1 . 1 1 23 23 THR HA H 23 4.967 4.967 4.627 0.340 18954 97 1 1 . 1 1 23 23 THR CA C 23 59.731 59.731 63.600 -3.869 18954 98 1 1 . 1 1 23 23 THR CB C 23 66.715 66.715 69.586 -2.871 18954 99 1 1 . 1 1 23 23 THR H H 23 8.403 8.403 8.677 -0.274 18954 100 1 1 . 1 1 24 24 MET N N 24 125.957 125.957 120.432 5.525 18954 101 1 1 . 1 1 24 24 MET HA H 24 4.702 4.702 4.676 0.026 18954 102 1 1 . 1 1 24 24 MET CA C 24 51.056 51.056 54.483 -3.427 18954 103 1 1 . 1 1 24 24 MET CB C 24 32.115 32.115 37.035 -4.920 18954 104 1 1 . 1 1 24 24 MET H H 24 9.289 9.289 8.808 0.481 18954 105 1 1 . 1 1 25 25 ILE N N 25 117.652 117.652 119.057 -1.405 18954 106 1 1 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.437 -0.038 18954 107 1 1 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.117 -2.358 18954 108 1 1 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.072 -2.202 18954 109 1 1 . 1 1 25 25 ILE H H 25 8.572 8.572 8.643 -0.071 18954 110 1 1 . 1 1 26 26 LEU N N 26 130.281 130.281 126.468 3.813 18954 111 1 1 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.843 0.371 18954 112 1 1 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.071 -2.960 18954 113 1 1 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.799 -3.436 18954 114 1 1 . 1 1 26 26 LEU H H 26 8.901 8.901 8.832 0.069 18954 115 1 1 . 1 1 27 27 GLN N N 27 125.400 125.400 122.587 2.813 18954 116 1 1 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.770 0.003 18954 117 1 1 . 1 1 27 27 GLN CB C 27 29.511 29.511 31.862 -2.351 18954 118 1 1 . 1 1 27 27 GLN H H 27 9.330 9.330 8.729 0.601 18954 119 1 1 . 1 1 28 28 CYS N N 28 124.065 124.065 121.466 2.599 18954 120 1 1 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.696 0.427 18954 121 1 1 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.189 -3.154 18954 122 1 1 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.132 -0.953 18954 123 1 1 . 1 1 28 28 CYS H H 28 8.585 8.585 7.986 0.599 18954 124 1 1 . 1 1 29 29 SER N N 29 121.076 121.076 117.742 3.334 18954 125 1 1 . 1 1 29 29 SER HA H 29 4.160 4.160 4.593 -0.433 18954 126 1 1 . 1 1 29 29 SER CA C 29 57.073 57.073 58.559 -1.486 18954 127 1 1 . 1 1 29 29 SER CB C 29 60.725 60.725 62.121 -1.396 18954 128 1 1 . 1 1 29 29 SER H H 29 8.519 8.519 8.589 -0.070 18954 129 1 1 . 1 1 30 30 ILE N N 30 117.987 117.987 114.472 3.515 18954 130 1 1 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.380 -0.072 18954 131 1 1 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.892 -2.311 18954 132 1 1 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.658 -2.267 18954 133 1 1 . 1 1 30 30 ILE H H 30 7.343 7.343 6.943 0.400 18954 134 1 1 . 1 1 31 31 GLU N N 31 119.585 119.585 124.329 -4.744 18954 135 1 1 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.085 -0.407 18954 136 1 1 . 1 1 31 31 GLU CA C 31 54.224 54.224 57.311 -3.087 18954 137 1 1 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.176 -2.815 18954 138 1 1 . 1 1 31 31 GLU H H 31 7.901 7.901 8.494 -0.593 18954 139 1 1 . 1 1 32 32 MET N N 32 126.504 126.504 126.208 0.296 18954 140 1 1 . 1 1 32 32 MET HA H 32 4.297 4.297 4.419 -0.122 18954 141 1 1 . 1 1 32 32 MET CA C 32 50.919 50.919 52.834 -1.915 18954 142 1 1 . 1 1 32 32 MET CB C 32 32.696 32.696 32.434 0.262 18954 143 1 1 . 1 1 32 32 MET H H 32 8.406 8.406 7.984 0.422 18954 144 1 1 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.365 -0.174 18954 145 1 1 . 1 1 33 33 PRO CA C 33 61.767 61.767 63.819 -2.051 18954 146 1 1 . 1 1 33 33 PRO CB C 33 30.026 30.026 32.011 -1.985 18954 147 1 1 . 1 1 34 34 ASN N N 34 107.313 107.313 114.183 -6.870 18954 148 1 1 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.029 -0.213 18954 149 1 1 . 1 1 34 34 ASN CA C 34 49.972 49.972 52.072 -2.100 18954 150 1 1 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.367 -2.230 18954 151 1 1 . 1 1 34 34 ASN H H 34 7.077 7.077 7.815 -0.738 18954 152 1 1 . 1 1 35 35 ILE N N 35 122.015 122.015 120.403 1.612 18954 153 1 1 . 1 1 35 35 ILE HA H 35 3.943 3.943 4.178 -0.234 18954 154 1 1 . 1 1 35 35 ILE CA C 35 61.775 61.775 62.786 -1.012 18954 155 1 1 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.639 -2.249 18954 156 1 1 . 1 1 35 35 ILE H H 35 9.109 9.109 8.904 0.205 18954 157 1 1 . 1 1 36 36 SER N N 36 119.851 119.851 117.413 2.438 18954 158 1 1 . 1 1 36 36 SER HA H 36 4.366 4.366 4.251 0.115 18954 159 1 1 . 1 1 36 36 SER CA C 36 59.274 59.274 61.639 -2.365 18954 160 1 1 . 1 1 36 36 SER CB C 36 59.818 59.818 62.607 -2.789 18954 161 1 1 . 1 1 36 36 SER H H 36 8.936 8.936 7.955 0.981 18954 162 1 1 . 1 1 37 37 TYR N N 37 122.338 122.338 122.010 0.328 18954 163 1 1 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.098 0.105 18954 164 1 1 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.399 -3.214 18954 165 1 1 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.121 -1.728 18954 166 1 1 . 1 1 37 37 TYR H H 37 7.808 7.808 7.970 -0.162 18954 167 1 1 . 1 1 38 38 ALA N N 38 120.761 120.761 121.148 -0.387 18954 168 1 1 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.762 0.109 18954 169 1 1 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.719 -2.922 18954 170 1 1 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.959 -1.303 18954 171 1 1 . 1 1 38 38 ALA H H 38 7.364 7.364 7.758 -0.394 18954 172 1 1 . 1 1 39 39 TRP N N 39 115.813 115.813 118.811 -2.998 18954 173 1 1 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.042 0.034 18954 174 1 1 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.873 -3.143 18954 175 1 1 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.200 -1.488 18954 176 1 1 . 1 1 39 39 TRP H H 39 7.134 7.134 7.619 -0.485 18954 177 1 1 . 1 1 40 40 LYS N N 40 117.209 117.209 117.340 -0.131 18954 178 1 1 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.890 -0.041 18954 179 1 1 . 1 1 40 40 LYS CA C 40 56.984 56.984 59.579 -2.595 18954 180 1 1 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.082 -2.093 18954 181 1 1 . 1 1 40 40 LYS H H 40 8.091 8.091 8.432 -0.341 18954 182 1 1 . 1 1 41 41 GLU N N 41 119.521 119.521 119.786 -0.265 18954 183 1 1 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.952 0.002 18954 184 1 1 . 1 1 41 41 GLU CA C 41 55.902 55.902 58.904 -3.002 18954 185 1 1 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.746 -2.824 18954 186 1 1 . 1 1 41 41 GLU H H 41 6.674 6.674 7.390 -0.716 18954 187 1 1 . 1 1 42 42 LEU N N 42 117.269 117.269 120.292 -3.023 18954 188 1 1 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.178 -0.291 18954 189 1 1 . 1 1 42 42 LEU CA C 42 55.840 55.840 57.957 -2.117 18954 190 1 1 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.175 -1.337 18954 191 1 1 . 1 1 42 42 LEU H H 42 7.866 7.866 7.876 -0.010 18954 192 1 1 . 1 1 43 43 LYS N N 43 117.633 117.633 117.676 -0.043 18954 193 1 1 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.269 -0.300 18954 194 1 1 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.074 -3.067 18954 195 1 1 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.169 -2.077 18954 196 1 1 . 1 1 43 43 LYS H H 43 8.458 8.458 8.470 -0.012 18954 197 1 1 . 1 1 44 44 GLU N N 44 120.906 120.906 117.256 3.650 18954 198 1 1 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.146 -0.303 18954 199 1 1 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.765 -1.810 18954 200 1 1 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.788 -2.933 18954 201 1 1 . 1 1 44 44 GLU H H 44 8.013 8.013 7.654 0.359 18954 202 1 1 . 1 1 45 45 GLN N N 45 113.584 113.584 116.412 -2.828 18954 203 1 1 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.472 -0.334 18954 204 1 1 . 1 1 45 45 GLN CA C 45 58.177 58.177 56.482 1.695 18954 205 1 1 . 1 1 45 45 GLN CB C 45 27.536 27.536 30.708 -3.172 18954 206 1 1 . 1 1 45 45 GLN H H 45 7.665 7.665 7.789 -0.124 18954 207 1 1 . 1 1 46 46 LEU N N 46 114.594 114.594 118.657 -4.063 18954 208 1 1 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.466 0.004 18954 209 1 1 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.149 -3.220 18954 210 1 1 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.666 -3.030 18954 211 1 1 . 1 1 46 46 LEU H H 46 8.652 8.652 8.358 0.294 18954 212 1 1 . 1 1 47 47 GLY N N 47 110.084 110.084 107.543 2.541 18954 213 1 1 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.397 -2.558 18954 214 1 1 . 1 1 47 47 GLY H H 47 7.642 7.642 7.577 0.065 18954 215 1 1 . 1 1 48 48 GLU N N 48 118.535 118.535 120.694 -2.159 18954 216 1 1 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.098 -0.386 18954 217 1 1 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.191 -1.769 18954 218 1 1 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.761 -2.296 18954 219 1 1 . 1 1 48 48 GLU H H 48 8.348 8.348 8.790 -0.442 18954 220 1 1 . 1 1 49 49 GLU N N 49 114.460 114.460 118.776 -4.316 18954 221 1 1 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.284 0.089 18954 222 1 1 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.474 -2.061 18954 223 1 1 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.133 -2.172 18954 224 1 1 . 1 1 49 49 GLU H H 49 8.498 8.498 8.374 0.124 18954 225 1 1 . 1 1 50 50 ILE N N 50 121.524 121.524 120.811 0.713 18954 226 1 1 . 1 1 50 50 ILE HA H 50 4.102 4.102 4.343 -0.241 18954 227 1 1 . 1 1 50 50 ILE CA C 50 57.703 57.703 60.477 -2.774 18954 228 1 1 . 1 1 50 50 ILE CB C 50 35.737 35.737 40.834 -5.098 18954 229 1 1 . 1 1 50 50 ILE H H 50 7.617 7.617 8.097 -0.480 18954 230 1 1 . 1 1 51 51 ASP N N 51 119.881 119.881 121.178 -1.297 18954 231 1 1 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.748 -0.448 18954 232 1 1 . 1 1 51 51 ASP CA C 51 53.532 53.532 54.883 -1.351 18954 233 1 1 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.823 -2.625 18954 234 1 1 . 1 1 51 51 ASP H H 51 7.926 7.926 8.132 -0.206 18954 235 1 1 . 1 1 52 52 SER N N 52 113.164 113.164 112.830 0.334 18954 236 1 1 . 1 1 52 52 SER HA H 52 4.403 4.403 4.510 -0.107 18954 237 1 1 . 1 1 52 52 SER CA C 52 56.968 56.968 59.107 -2.139 18954 238 1 1 . 1 1 52 52 SER CB C 52 61.183 61.183 62.885 -1.702 18954 239 1 1 . 1 1 52 52 SER H H 52 7.888 7.888 8.182 -0.294 18954 240 1 1 . 1 1 53 53 LYS N N 53 120.411 120.411 119.795 0.616 18954 241 1 1 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.615 -0.161 18954 242 1 1 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.855 -2.042 18954 243 1 1 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.738 -1.379 18954 244 1 1 . 1 1 53 53 LYS H H 53 7.714 7.714 7.630 0.084 18954 245 1 1 . 1 1 54 54 VAL N N 54 116.701 116.701 117.612 -0.911 18954 246 1 1 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.480 -0.013 18954 247 1 1 . 1 1 54 54 VAL CA C 54 59.565 59.565 60.340 -0.775 18954 248 1 1 . 1 1 54 54 VAL CB C 54 30.833 30.833 35.169 -4.336 18954 249 1 1 . 1 1 54 54 VAL H H 54 7.041 7.041 7.640 -0.599 18954 250 1 1 . 1 1 55 55 LYS N N 55 125.891 125.891 120.577 5.314 18954 251 1 1 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.764 -0.016 18954 252 1 1 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.361 -2.759 18954 253 1 1 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.854 -0.566 18954 254 1 1 . 1 1 55 55 LYS H H 55 9.138 9.138 8.245 0.893 18954 255 1 1 . 1 1 56 56 GLY N N 56 109.312 109.312 109.320 -0.008 18954 256 1 1 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.712 0.004 18954 257 1 1 . 1 1 56 56 GLY H H 56 8.489 8.489 8.557 -0.068 18954 258 1 1 . 1 1 57 57 MET N N 57 118.391 118.391 127.780 -9.389 18954 259 1 1 . 1 1 57 57 MET HA H 57 4.930 4.930 4.622 0.308 18954 260 1 1 . 1 1 57 57 MET CA C 57 53.906 53.906 56.701 -2.795 18954 261 1 1 . 1 1 57 57 MET CB C 57 30.841 30.841 33.380 -2.539 18954 262 1 1 . 1 1 57 57 MET H H 57 8.039 8.039 7.956 0.083 18954 263 1 1 . 1 1 58 58 VAL N N 58 124.257 124.257 119.668 4.589 18954 264 1 1 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.720 -0.271 18954 265 1 1 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.856 -2.806 18954 266 1 1 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.997 -1.141 18954 267 1 1 . 1 1 58 58 VAL H H 58 8.780 8.780 8.919 -0.139 18954 268 1 1 . 1 1 59 59 PHE N N 59 120.512 120.512 120.903 -0.391 18954 269 1 1 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.625 0.350 18954 270 1 1 . 1 1 59 59 PHE CA C 59 56.564 56.564 58.565 -2.001 18954 271 1 1 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.683 -1.993 18954 272 1 1 . 1 1 59 59 PHE H H 59 8.432 8.432 8.415 0.017 18954 273 1 1 . 1 1 60 60 LEU N N 60 120.934 120.934 126.729 -5.795 18954 274 1 1 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.487 -0.111 18954 275 1 1 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.106 -2.879 18954 276 1 1 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.889 -2.364 18954 277 1 1 . 1 1 60 60 LEU H H 60 8.291 8.291 8.386 -0.095 18954 278 1 1 . 1 1 61 61 LYS N N 61 122.117 122.117 121.281 0.836 18954 279 1 1 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.039 -0.058 18954 280 1 1 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.943 -2.400 18954 281 1 1 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.945 -3.303 18954 282 1 1 . 1 1 61 61 LYS H H 61 8.371 8.371 8.502 -0.131 18954 283 1 1 . 1 1 62 62 GLY N N 62 114.590 114.590 111.197 3.393 18954 284 1 1 . 1 1 62 62 GLY CA C 62 42.972 42.972 45.707 -2.735 18954 285 1 1 . 1 1 62 62 GLY H H 62 8.870 8.870 8.747 0.123 18954 286 1 1 . 1 1 63 63 LYS N N 63 111.406 111.406 117.302 -5.896 18954 287 1 1 . 1 1 63 63 LYS H H 63 8.129 8.129 7.834 0.295 18954 288 1 1 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.840 -0.374 18954 289 1 1 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.199 -1.928 18954 290 1 1 . 1 1 64 64 LEU CB C 64 38.456 38.456 41.164 -2.708 18954 291 1 1 . 1 1 65 65 GLY N N 65 105.164 105.164 105.502 -0.338 18954 292 1 1 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.598 -3.006 18954 293 1 1 . 1 1 65 65 GLY H H 65 7.375 7.375 7.829 -0.454 18954 294 1 1 . 1 1 66 66 VAL N N 66 111.490 111.490 113.679 -2.189 18954 295 1 1 . 1 1 66 66 VAL HA H 66 5.391 5.391 5.100 0.291 18954 296 1 1 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.523 -3.256 18954 297 1 1 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.607 -1.556 18954 298 1 1 . 1 1 66 66 VAL H H 66 9.127 9.127 7.773 1.354 18954 299 1 1 . 1 1 67 67 CYS N N 67 116.847 116.847 115.878 0.969 18954 300 1 1 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.368 0.126 18954 301 1 1 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.688 -2.818 18954 302 1 1 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.684 -3.199 18954 303 1 1 . 1 1 67 67 CYS H H 67 8.914 8.914 8.936 -0.022 18954 304 1 1 . 1 1 68 68 PHE N N 68 116.013 116.013 115.483 0.530 18954 305 1 1 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.884 -0.244 18954 306 1 1 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.622 -2.986 18954 307 1 1 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.468 -3.504 18954 308 1 1 . 1 1 68 68 PHE H H 68 8.118 8.118 8.375 -0.257 18954 309 1 1 . 1 1 69 69 ASP N N 69 119.562 119.562 120.062 -0.500 18954 310 1 1 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.104 0.633 18954 311 1 1 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.177 -4.014 18954 312 1 1 . 1 1 69 69 ASP CB C 69 40.589 40.589 42.409 -1.820 18954 313 1 1 . 1 1 69 69 ASP H H 69 8.999 8.999 8.506 0.493 18954 314 1 1 . 1 1 70 70 VAL N N 70 114.283 114.283 116.903 -2.620 18954 315 1 1 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.861 0.473 18954 316 1 1 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.977 -3.013 18954 317 1 1 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.225 -2.689 18954 318 1 1 . 1 1 70 70 VAL H H 70 8.913 8.913 8.627 0.286 18954 319 1 1 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.619 0.608 18954 320 1 1 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.056 -2.219 18954 321 1 1 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.424 -1.951 18954 322 1 1 . 1 1 72 72 THR N N 72 121.039 121.039 120.590 0.449 18954 323 1 1 . 1 1 72 72 THR HA H 72 3.597 3.597 3.768 -0.171 18954 324 1 1 . 1 1 72 72 THR CA C 72 63.671 63.671 67.382 -3.711 18954 325 1 1 . 1 1 72 72 THR CB C 72 65.826 65.826 68.255 -2.429 18954 326 1 1 . 1 1 72 72 THR H H 72 8.235 8.235 8.422 -0.187 18954 327 1 1 . 1 1 73 73 ALA N N 73 120.196 120.196 122.391 -2.195 18954 328 1 1 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.099 0.044 18954 329 1 1 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.704 -3.233 18954 330 1 1 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.000 -1.905 18954 331 1 1 . 1 1 73 73 ALA H H 73 8.466 8.466 8.292 0.174 18954 332 1 1 . 1 1 74 74 SER N N 74 112.214 112.214 113.315 -1.101 18954 333 1 1 . 1 1 74 74 SER HA H 74 4.552 4.552 4.392 0.160 18954 334 1 1 . 1 1 74 74 SER CA C 74 57.492 57.492 60.680 -3.188 18954 335 1 1 . 1 1 74 74 SER CB C 74 62.101 62.101 63.809 -1.708 18954 336 1 1 . 1 1 74 74 SER H H 74 8.019 8.019 7.645 0.374 18954 337 1 1 . 1 1 75 75 VAL N N 75 121.652 121.652 122.810 -1.158 18954 338 1 1 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.695 -0.440 18954 339 1 1 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.727 -1.720 18954 340 1 1 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.656 -2.306 18954 341 1 1 . 1 1 75 75 VAL H H 75 7.222 7.222 8.126 -0.904 18954 342 1 1 . 1 1 76 76 THR N N 76 113.812 113.812 112.327 1.485 18954 343 1 1 . 1 1 76 76 THR HA H 76 3.963 3.963 4.099 -0.136 18954 344 1 1 . 1 1 76 76 THR CA C 76 63.804 63.804 65.601 -1.797 18954 345 1 1 . 1 1 76 76 THR CB C 76 65.567 65.567 68.503 -2.936 18954 346 1 1 . 1 1 76 76 THR H H 76 8.107 8.107 7.628 0.479 18954 347 1 1 . 1 1 77 77 GLU N N 77 121.634 121.634 122.800 -1.166 18954 348 1 1 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.114 -0.081 18954 349 1 1 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.119 -2.763 18954 350 1 1 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.733 -2.701 18954 351 1 1 . 1 1 77 77 GLU H H 77 7.737 7.737 7.653 0.084 18954 352 1 1 . 1 1 78 78 ILE N N 78 119.383 119.383 120.180 -0.797 18954 353 1 1 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.750 -0.139 18954 354 1 1 . 1 1 78 78 ILE CA C 78 63.089 63.089 64.891 -1.802 18954 355 1 1 . 1 1 78 78 ILE CB C 78 35.616 35.616 38.080 -2.464 18954 356 1 1 . 1 1 78 78 ILE H H 78 7.694 7.694 8.015 -0.321 18954 357 1 1 . 1 1 79 79 GLN N N 79 116.015 116.015 116.716 -0.701 18954 358 1 1 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.211 -0.283 18954 359 1 1 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.066 -1.398 18954 360 1 1 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.629 -2.222 18954 361 1 1 . 1 1 79 79 GLN H H 79 8.319 8.319 7.940 0.379 18954 362 1 1 . 1 1 80 80 GLU N N 80 116.824 116.824 118.960 -2.136 18954 363 1 1 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.271 -0.204 18954 364 1 1 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.202 -2.611 18954 365 1 1 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.147 -2.718 18954 366 1 1 . 1 1 80 80 GLU H H 80 7.884 7.884 7.662 0.222 18954 367 1 1 . 1 1 81 81 LYS N N 81 118.113 118.113 117.967 0.146 18954 368 1 1 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.394 -0.200 18954 369 1 1 . 1 1 81 81 LYS CA C 81 54.843 54.843 56.017 -1.174 18954 370 1 1 . 1 1 81 81 LYS CB C 81 32.776 32.776 32.353 0.423 18954 371 1 1 . 1 1 81 81 LYS H H 81 7.396 7.396 7.936 -0.540 18954 372 1 1 . 1 1 82 82 TRP N N 82 119.572 119.572 120.582 -1.010 18954 373 1 1 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.601 -0.489 18954 374 1 1 . 1 1 82 82 TRP CA C 82 55.919 55.919 56.481 -0.562 18954 375 1 1 . 1 1 82 82 TRP CB C 82 27.453 27.453 31.359 -3.906 18954 376 1 1 . 1 1 82 82 TRP H H 82 7.966 7.966 7.118 0.848 18954 377 1 1 . 1 1 83 83 HIS N N 83 126.139 126.139 122.205 3.934 18954 378 1 1 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.777 -0.113 18954 379 1 1 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.837 -3.182 18954 380 1 1 . 1 1 83 83 HIS CB C 83 28.017 28.017 32.375 -4.358 18954 381 1 1 . 1 1 83 83 HIS H H 83 8.566 8.566 7.347 1.219 18954 382 1 1 . 1 1 84 84 ASP N N 84 125.751 125.751 123.969 1.782 18954 383 1 1 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.714 0.285 18954 384 1 1 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.922 -2.303 18954 385 1 1 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.243 -1.502 18954 386 1 1 . 1 1 84 84 ASP H H 84 8.913 8.913 8.660 0.253 18954 387 1 1 . 1 1 85 85 SER N N 85 116.332 116.332 118.332 -2.000 18954 388 1 1 . 1 1 85 85 SER HA H 85 4.924 4.924 4.757 0.167 18954 389 1 1 . 1 1 85 85 SER CA C 85 53.657 53.657 56.986 -3.329 18954 390 1 1 . 1 1 85 85 SER CB C 85 64.982 64.982 66.439 -1.456 18954 391 1 1 . 1 1 85 85 SER H H 85 9.621 9.621 8.702 0.919 18954 392 1 1 . 1 1 86 86 ARG N N 86 118.680 118.680 121.657 -2.977 18954 393 1 1 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.147 -0.089 18954 394 1 1 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.845 -2.998 18954 395 1 1 . 1 1 86 86 ARG CB C 86 27.132 27.132 29.764 -2.631 18954 396 1 1 . 1 1 86 86 ARG H H 86 8.695 8.695 8.901 -0.206 18954 397 1 1 . 1 1 87 87 ARG N N 87 117.323 117.323 116.333 0.990 18954 398 1 1 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.380 -0.104 18954 399 1 1 . 1 1 87 87 ARG CA C 87 53.989 53.989 56.375 -2.386 18954 400 1 1 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.040 -2.458 18954 401 1 1 . 1 1 87 87 ARG H H 87 7.710 7.710 7.924 -0.214 18954 402 1 1 . 1 1 88 88 TRP N N 88 115.976 115.976 121.025 -5.049 18954 403 1 1 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.536 0.341 18954 404 1 1 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.352 -3.941 18954 405 1 1 . 1 1 88 88 TRP CB C 88 32.110 32.110 30.709 1.401 18954 406 1 1 . 1 1 88 88 TRP H H 88 7.374 7.374 8.093 -0.719 18954 407 1 1 . 1 1 89 89 GLN N N 89 118.426 118.426 119.555 -1.129 18954 408 1 1 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.955 0.572 18954 409 1 1 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.439 -1.774 18954 410 1 1 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.913 -2.987 18954 411 1 1 . 1 1 89 89 GLN H H 89 8.803 8.803 8.883 -0.080 18954 412 1 1 . 1 1 90 90 LEU N N 90 127.680 127.680 122.640 5.040 18954 413 1 1 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.902 0.327 18954 414 1 1 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.498 -2.652 18954 415 1 1 . 1 1 90 90 LEU CB C 90 39.965 39.965 44.284 -4.319 18954 416 1 1 . 1 1 90 90 LEU H H 90 8.518 8.518 8.627 -0.109 18954 417 1 1 . 1 1 91 91 SER N N 91 121.513 121.513 119.124 2.389 18954 418 1 1 . 1 1 91 91 SER HA H 91 4.639 4.639 4.736 -0.097 18954 419 1 1 . 1 1 91 91 SER CA C 91 54.241 54.241 57.103 -2.862 18954 420 1 1 . 1 1 91 91 SER CB C 91 63.274 63.274 65.980 -2.706 18954 421 1 1 . 1 1 91 91 SER H H 91 8.979 8.979 8.857 0.122 18954 422 1 1 . 1 1 92 92 VAL N N 92 120.290 120.290 119.904 0.386 18954 423 1 1 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.177 -0.061 18954 424 1 1 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.733 0.156 18954 425 1 1 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.262 -5.037 18954 426 1 1 . 1 1 92 92 VAL H H 92 8.277 8.277 8.299 -0.022 18954 427 1 1 . 1 1 93 93 ALA N N 93 130.076 130.076 129.061 1.015 18954 428 1 1 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.449 -0.270 18954 429 1 1 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.589 -2.396 18954 430 1 1 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.309 -2.689 18954 431 1 1 . 1 1 93 93 ALA H H 93 8.521 8.521 8.307 0.214 18954 432 1 1 . 1 1 94 94 THR N N 94 113.705 113.705 113.621 0.084 18954 433 1 1 . 1 1 94 94 THR HA H 94 4.190 4.190 4.235 -0.045 18954 434 1 1 . 1 1 94 94 THR CA C 94 65.409 65.409 63.651 1.758 18954 435 1 1 . 1 1 94 94 THR CB C 94 67.702 67.702 69.375 -1.673 18954 436 1 1 . 1 1 94 94 THR H H 94 8.099 8.099 8.256 -0.157 18954 437 1 2 . 1 1 3 3 ILE N N 3 123.622 123.622 121.701 1.921 18954 438 1 2 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.306 -0.191 18954 439 1 2 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.630 -3.328 18954 440 1 2 . 1 1 3 3 ILE CB C 3 36.212 36.212 39.158 -2.946 18954 441 1 2 . 1 1 3 3 ILE H H 3 8.271 8.271 7.894 0.377 18954 442 1 2 . 1 1 4 4 SER N N 4 120.605 120.605 122.456 -1.851 18954 443 1 2 . 1 1 4 4 SER HA H 4 4.368 4.368 5.069 -0.701 18954 444 1 2 . 1 1 4 4 SER CA C 4 55.796 55.796 57.860 -2.064 18954 445 1 2 . 1 1 4 4 SER CB C 4 60.945 60.945 65.977 -5.032 18954 446 1 2 . 1 1 4 4 SER H H 4 8.425 8.425 8.469 -0.044 18954 447 1 2 . 1 1 5 5 GLY N N 5 111.455 111.455 108.705 2.750 18954 448 1 2 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.986 -2.205 18954 449 1 2 . 1 1 5 5 GLY H H 5 8.406 8.406 8.614 -0.208 18954 450 1 2 . 1 1 6 6 ALA N N 6 123.660 123.660 123.254 0.406 18954 451 1 2 . 1 1 6 6 ALA HA H 6 4.319 4.319 5.008 -0.689 18954 452 1 2 . 1 1 6 6 ALA CA C 6 49.894 49.894 53.056 -3.163 18954 453 1 2 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.197 -2.269 18954 454 1 2 . 1 1 6 6 ALA H H 6 8.103 8.103 8.944 -0.841 18954 455 1 2 . 1 1 7 7 THR N N 7 113.014 113.014 111.245 1.769 18954 456 1 2 . 1 1 7 7 THR HA H 7 4.309 4.309 4.880 -0.571 18954 457 1 2 . 1 1 7 7 THR CA C 7 58.886 58.886 61.245 -2.359 18954 458 1 2 . 1 1 7 7 THR CB C 7 67.461 67.461 69.643 -2.182 18954 459 1 2 . 1 1 7 7 THR H H 7 8.108 8.108 8.059 0.049 18954 460 1 2 . 1 1 8 8 SER N N 8 118.032 118.032 116.093 1.939 18954 461 1 2 . 1 1 8 8 SER HA H 8 4.434 4.434 4.538 -0.104 18954 462 1 2 . 1 1 8 8 SER CA C 8 55.537 55.537 58.165 -2.628 18954 463 1 2 . 1 1 8 8 SER CB C 8 61.305 61.305 63.616 -2.311 18954 464 1 2 . 1 1 8 8 SER H H 8 8.222 8.222 8.300 -0.078 18954 465 1 2 . 1 1 9 9 VAL N N 9 121.129 121.129 121.182 -0.053 18954 466 1 2 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.331 -0.309 18954 467 1 2 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.530 -2.516 18954 468 1 2 . 1 1 9 9 VAL CB C 9 30.139 30.139 31.716 -1.577 18954 469 1 2 . 1 1 9 9 VAL H H 9 8.098 8.098 8.276 -0.178 18954 470 1 2 . 1 1 10 10 ASP N N 10 123.102 123.102 125.750 -2.648 18954 471 1 2 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.805 -0.302 18954 472 1 2 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.548 -2.913 18954 473 1 2 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.223 -2.552 18954 474 1 2 . 1 1 10 10 ASP H H 10 8.242 8.242 8.429 -0.187 18954 475 1 2 . 1 1 11 11 GLN N N 11 121.449 121.449 119.235 2.214 18954 476 1 2 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.492 -0.327 18954 477 1 2 . 1 1 11 11 GLN CA C 11 53.773 53.773 56.039 -2.267 18954 478 1 2 . 1 1 11 11 GLN CB C 11 26.558 26.558 30.431 -3.873 18954 479 1 2 . 1 1 11 11 GLN H H 11 8.247 8.247 8.020 0.227 18954 480 1 2 . 1 1 12 12 ARG N N 12 121.029 121.029 123.960 -2.931 18954 481 1 2 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.120 0.107 18954 482 1 2 . 1 1 12 12 ARG CA C 12 59.634 59.634 57.587 2.047 18954 483 1 2 . 1 1 12 12 ARG CB C 12 28.284 28.284 30.596 -2.312 18954 484 1 2 . 1 1 12 12 ARG H H 12 8.215 8.215 8.550 -0.335 18954 485 1 2 . 1 1 13 13 SER N N 13 121.168 121.168 112.865 8.303 18954 486 1 2 . 1 1 13 13 SER HA H 13 4.327 4.327 4.601 -0.274 18954 487 1 2 . 1 1 13 13 SER CA C 13 56.317 56.317 57.426 -1.109 18954 488 1 2 . 1 1 13 13 SER CB C 13 61.153 61.153 65.320 -4.167 18954 489 1 2 . 1 1 13 13 SER H H 13 8.483 8.483 7.695 0.788 18954 490 1 2 . 1 1 14 14 LEU N N 14 115.731 115.731 121.748 -6.017 18954 491 1 2 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.357 -0.110 18954 492 1 2 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.764 -3.891 18954 493 1 2 . 1 1 14 14 LEU CB C 14 39.689 39.689 42.087 -2.398 18954 494 1 2 . 1 1 14 14 LEU H H 14 8.124 8.124 8.629 -0.505 18954 495 1 2 . 1 1 15 15 ILE N N 15 119.991 119.991 112.578 7.413 18954 496 1 2 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.423 -0.426 18954 497 1 2 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.644 -1.804 18954 498 1 2 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.448 -1.243 18954 499 1 2 . 1 1 15 15 ILE H H 15 7.859 7.859 7.529 0.330 18954 500 1 2 . 1 1 16 16 ASN N N 16 120.780 120.780 121.683 -0.903 18954 501 1 2 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.462 0.251 18954 502 1 2 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.040 -1.587 18954 503 1 2 . 1 1 16 16 ASN H H 16 8.014 8.014 7.940 0.074 18954 504 1 2 . 1 1 17 17 SER N N 17 115.640 115.640 112.564 3.076 18954 505 1 2 . 1 1 17 17 SER HA H 17 4.300 4.300 4.620 -0.320 18954 506 1 2 . 1 1 17 17 SER CA C 17 56.001 56.001 58.769 -2.768 18954 507 1 2 . 1 1 17 17 SER CB C 17 60.894 60.894 62.874 -1.980 18954 508 1 2 . 1 1 17 17 SER H H 17 8.121 8.121 7.908 0.213 18954 509 1 2 . 1 1 18 18 ASN N N 18 121.876 121.876 120.047 1.829 18954 510 1 2 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.828 -0.097 18954 511 1 2 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.530 -3.237 18954 512 1 2 . 1 1 18 18 ASN H H 18 8.376 8.376 8.175 0.201 18954 513 1 2 . 1 1 19 19 VAL N N 19 120.480 120.480 120.154 0.326 18954 514 1 2 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.203 -0.174 18954 515 1 2 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.642 -1.294 18954 516 1 2 . 1 1 19 19 VAL CB C 19 29.903 29.903 31.044 -1.141 18954 517 1 2 . 1 1 19 19 VAL H H 19 8.022 8.022 8.056 -0.034 18954 518 1 2 . 1 1 20 20 GLY N N 20 112.265 112.265 114.591 -2.326 18954 519 1 2 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.690 -2.992 18954 520 1 2 . 1 1 20 20 GLY H H 20 8.567 8.567 7.802 0.765 18954 521 1 2 . 1 1 21 21 PHE N N 21 119.701 119.701 119.135 0.566 18954 522 1 2 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.645 -0.512 18954 523 1 2 . 1 1 21 21 PHE CA C 21 54.358 54.358 56.884 -2.526 18954 524 1 2 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.282 -2.389 18954 525 1 2 . 1 1 21 21 PHE H H 21 7.917 7.917 8.406 -0.489 18954 526 1 2 . 1 1 22 22 VAL N N 22 120.733 120.733 121.699 -0.966 18954 527 1 2 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.417 -0.156 18954 528 1 2 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.259 -2.287 18954 529 1 2 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.975 -2.897 18954 530 1 2 . 1 1 22 22 VAL H H 22 9.221 9.221 8.428 0.793 18954 531 1 2 . 1 1 23 23 THR N N 23 123.388 123.388 120.064 3.324 18954 532 1 2 . 1 1 23 23 THR HA H 23 4.967 4.967 4.816 0.151 18954 533 1 2 . 1 1 23 23 THR CA C 23 59.731 59.731 62.462 -2.731 18954 534 1 2 . 1 1 23 23 THR CB C 23 66.715 66.715 69.683 -2.968 18954 535 1 2 . 1 1 23 23 THR H H 23 8.403 8.403 8.463 -0.060 18954 536 1 2 . 1 1 24 24 MET N N 24 125.957 125.957 120.722 5.235 18954 537 1 2 . 1 1 24 24 MET HA H 24 4.702 4.702 5.052 -0.350 18954 538 1 2 . 1 1 24 24 MET CA C 24 51.056 51.056 53.825 -2.769 18954 539 1 2 . 1 1 24 24 MET CB C 24 32.115 32.115 36.597 -4.482 18954 540 1 2 . 1 1 24 24 MET H H 24 9.289 9.289 8.602 0.687 18954 541 1 2 . 1 1 25 25 ILE N N 25 117.652 117.652 118.843 -1.191 18954 542 1 2 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.466 -0.067 18954 543 1 2 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.107 -2.348 18954 544 1 2 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.361 -2.491 18954 545 1 2 . 1 1 25 25 ILE H H 25 8.572 8.572 8.302 0.270 18954 546 1 2 . 1 1 26 26 LEU N N 26 130.281 130.281 125.405 4.876 18954 547 1 2 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.695 0.519 18954 548 1 2 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.044 -2.933 18954 549 1 2 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.824 -3.461 18954 550 1 2 . 1 1 26 26 LEU H H 26 8.901 8.901 8.730 0.171 18954 551 1 2 . 1 1 27 27 GLN N N 27 125.400 125.400 120.182 5.218 18954 552 1 2 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.875 -0.102 18954 553 1 2 . 1 1 27 27 GLN CB C 27 29.511 29.511 31.884 -2.373 18954 554 1 2 . 1 1 27 27 GLN H H 27 9.330 9.330 8.173 1.157 18954 555 1 2 . 1 1 28 28 CYS N N 28 124.065 124.065 122.719 1.346 18954 556 1 2 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.772 0.351 18954 557 1 2 . 1 1 28 28 CYS CA C 28 53.035 53.035 55.486 -2.451 18954 558 1 2 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.935 -0.756 18954 559 1 2 . 1 1 28 28 CYS H H 28 8.585 8.585 8.332 0.253 18954 560 1 2 . 1 1 29 29 SER N N 29 121.076 121.076 119.809 1.267 18954 561 1 2 . 1 1 29 29 SER HA H 29 4.160 4.160 4.392 -0.232 18954 562 1 2 . 1 1 29 29 SER CA C 29 57.073 57.073 58.808 -1.735 18954 563 1 2 . 1 1 29 29 SER CB C 29 60.725 60.725 62.124 -1.399 18954 564 1 2 . 1 1 29 29 SER H H 29 8.519 8.519 8.253 0.266 18954 565 1 2 . 1 1 30 30 ILE N N 30 117.987 117.987 113.148 4.839 18954 566 1 2 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.365 -0.057 18954 567 1 2 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.829 -2.248 18954 568 1 2 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.187 -1.796 18954 569 1 2 . 1 1 30 30 ILE H H 30 7.343 7.343 7.110 0.233 18954 570 1 2 . 1 1 31 31 GLU N N 31 119.585 119.585 122.465 -2.880 18954 571 1 2 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.186 -0.508 18954 572 1 2 . 1 1 31 31 GLU CA C 31 54.224 54.224 57.237 -3.013 18954 573 1 2 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.146 -2.785 18954 574 1 2 . 1 1 31 31 GLU H H 31 7.901 7.901 8.352 -0.451 18954 575 1 2 . 1 1 32 32 MET N N 32 126.504 126.504 126.943 -0.439 18954 576 1 2 . 1 1 32 32 MET HA H 32 4.297 4.297 4.701 -0.404 18954 577 1 2 . 1 1 32 32 MET CA C 32 50.919 50.919 52.953 -2.034 18954 578 1 2 . 1 1 32 32 MET CB C 32 32.696 32.696 32.542 0.154 18954 579 1 2 . 1 1 32 32 MET H H 32 8.406 8.406 8.763 -0.357 18954 580 1 2 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.405 -0.214 18954 581 1 2 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.159 -2.392 18954 582 1 2 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.966 -1.940 18954 583 1 2 . 1 1 34 34 ASN N N 34 107.313 107.313 113.546 -6.233 18954 584 1 2 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.032 -0.216 18954 585 1 2 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.884 -1.912 18954 586 1 2 . 1 1 34 34 ASN CB C 34 38.137 38.137 41.083 -2.946 18954 587 1 2 . 1 1 34 34 ASN H H 34 7.077 7.077 7.807 -0.730 18954 588 1 2 . 1 1 35 35 ILE N N 35 122.015 122.015 120.337 1.678 18954 589 1 2 . 1 1 35 35 ILE HA H 35 3.943 3.943 4.049 -0.106 18954 590 1 2 . 1 1 35 35 ILE CA C 35 61.775 61.775 62.324 -0.549 18954 591 1 2 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.752 -2.362 18954 592 1 2 . 1 1 35 35 ILE H H 35 9.109 9.109 8.806 0.303 18954 593 1 2 . 1 1 36 36 SER N N 36 119.851 119.851 116.579 3.272 18954 594 1 2 . 1 1 36 36 SER HA H 36 4.366 4.366 4.364 0.002 18954 595 1 2 . 1 1 36 36 SER CA C 36 59.274 59.274 61.457 -2.183 18954 596 1 2 . 1 1 36 36 SER CB C 36 59.818 59.818 62.785 -2.967 18954 597 1 2 . 1 1 36 36 SER H H 36 8.936 8.936 8.505 0.431 18954 598 1 2 . 1 1 37 37 TYR N N 37 122.338 122.338 121.279 1.059 18954 599 1 2 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.103 0.100 18954 600 1 2 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.473 -3.288 18954 601 1 2 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.206 -1.813 18954 602 1 2 . 1 1 37 37 TYR H H 37 7.808 7.808 8.496 -0.688 18954 603 1 2 . 1 1 38 38 ALA N N 38 120.761 120.761 120.985 -0.224 18954 604 1 2 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.697 0.174 18954 605 1 2 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.649 -2.852 18954 606 1 2 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.820 -1.164 18954 607 1 2 . 1 1 38 38 ALA H H 38 7.364 7.364 7.817 -0.453 18954 608 1 2 . 1 1 39 39 TRP N N 39 115.813 115.813 118.644 -2.831 18954 609 1 2 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.079 -0.003 18954 610 1 2 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.762 -3.032 18954 611 1 2 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.154 -1.442 18954 612 1 2 . 1 1 39 39 TRP H H 39 7.134 7.134 7.536 -0.402 18954 613 1 2 . 1 1 40 40 LYS N N 40 117.209 117.209 118.312 -1.103 18954 614 1 2 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.861 -0.012 18954 615 1 2 . 1 1 40 40 LYS CA C 40 56.984 56.984 59.968 -2.984 18954 616 1 2 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.024 -2.035 18954 617 1 2 . 1 1 40 40 LYS H H 40 8.091 8.091 8.515 -0.424 18954 618 1 2 . 1 1 41 41 GLU N N 41 119.521 119.521 119.384 0.137 18954 619 1 2 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.912 0.042 18954 620 1 2 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.009 -3.107 18954 621 1 2 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.911 -2.989 18954 622 1 2 . 1 1 41 41 GLU H H 41 6.674 6.674 7.336 -0.662 18954 623 1 2 . 1 1 42 42 LEU N N 42 117.269 117.269 119.962 -2.693 18954 624 1 2 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.196 -0.309 18954 625 1 2 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.270 -2.430 18954 626 1 2 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.859 -2.021 18954 627 1 2 . 1 1 42 42 LEU H H 42 7.866 7.866 8.148 -0.282 18954 628 1 2 . 1 1 43 43 LYS N N 43 117.633 117.633 118.982 -1.349 18954 629 1 2 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.226 -0.257 18954 630 1 2 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.127 -3.120 18954 631 1 2 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.322 -2.230 18954 632 1 2 . 1 1 43 43 LYS H H 43 8.458 8.458 8.388 0.070 18954 633 1 2 . 1 1 44 44 GLU N N 44 120.906 120.906 116.963 3.943 18954 634 1 2 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.144 -0.301 18954 635 1 2 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.407 -1.452 18954 636 1 2 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.644 -2.789 18954 637 1 2 . 1 1 44 44 GLU H H 44 8.013 8.013 7.694 0.319 18954 638 1 2 . 1 1 45 45 GLN N N 45 113.584 113.584 116.849 -3.265 18954 639 1 2 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.381 -0.243 18954 640 1 2 . 1 1 45 45 GLN CA C 45 58.177 58.177 56.809 1.368 18954 641 1 2 . 1 1 45 45 GLN CB C 45 27.536 27.536 30.870 -3.334 18954 642 1 2 . 1 1 45 45 GLN H H 45 7.665 7.665 7.604 0.061 18954 643 1 2 . 1 1 46 46 LEU N N 46 114.594 114.594 117.875 -3.281 18954 644 1 2 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.416 0.054 18954 645 1 2 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.957 -3.028 18954 646 1 2 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.750 -3.114 18954 647 1 2 . 1 1 46 46 LEU H H 46 8.652 8.652 8.241 0.411 18954 648 1 2 . 1 1 47 47 GLY N N 47 110.084 110.084 106.423 3.661 18954 649 1 2 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.327 -2.488 18954 650 1 2 . 1 1 47 47 GLY H H 47 7.642 7.642 7.215 0.427 18954 651 1 2 . 1 1 48 48 GLU N N 48 118.535 118.535 121.090 -2.555 18954 652 1 2 . 1 1 48 48 GLU HA H 48 3.712 3.712 3.963 -0.251 18954 653 1 2 . 1 1 48 48 GLU CA C 48 56.422 56.422 59.288 -2.866 18954 654 1 2 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.759 -2.294 18954 655 1 2 . 1 1 48 48 GLU H H 48 8.348 8.348 8.933 -0.585 18954 656 1 2 . 1 1 49 49 GLU N N 49 114.460 114.460 117.051 -2.591 18954 657 1 2 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.180 0.193 18954 658 1 2 . 1 1 49 49 GLU CA C 49 54.413 54.413 57.421 -3.008 18954 659 1 2 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.359 -2.398 18954 660 1 2 . 1 1 49 49 GLU H H 49 8.498 8.498 8.409 0.089 18954 661 1 2 . 1 1 50 50 ILE N N 50 121.524 121.524 122.013 -0.489 18954 662 1 2 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.784 0.318 18954 663 1 2 . 1 1 50 50 ILE CA C 50 57.703 57.703 63.332 -5.629 18954 664 1 2 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.185 -2.448 18954 665 1 2 . 1 1 50 50 ILE H H 50 7.617 7.617 7.610 0.007 18954 666 1 2 . 1 1 51 51 ASP N N 51 119.881 119.881 119.385 0.496 18954 667 1 2 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.325 -0.025 18954 668 1 2 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.521 -2.989 18954 669 1 2 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.285 -2.087 18954 670 1 2 . 1 1 51 51 ASP H H 51 7.926 7.926 8.080 -0.154 18954 671 1 2 . 1 1 52 52 SER N N 52 113.164 113.164 115.914 -2.750 18954 672 1 2 . 1 1 52 52 SER HA H 52 4.403 4.403 4.234 0.169 18954 673 1 2 . 1 1 52 52 SER CA C 52 56.968 56.968 60.205 -3.237 18954 674 1 2 . 1 1 52 52 SER CB C 52 61.183 61.183 63.250 -2.067 18954 675 1 2 . 1 1 52 52 SER H H 52 7.888 7.888 7.941 -0.053 18954 676 1 2 . 1 1 53 53 LYS N N 53 120.411 120.411 118.168 2.243 18954 677 1 2 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.397 0.057 18954 678 1 2 . 1 1 53 53 LYS CA C 53 53.813 53.813 56.393 -2.580 18954 679 1 2 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.739 -0.380 18954 680 1 2 . 1 1 53 53 LYS H H 53 7.714 7.714 7.733 -0.019 18954 681 1 2 . 1 1 54 54 VAL N N 54 116.701 116.701 117.509 -0.808 18954 682 1 2 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.236 0.231 18954 683 1 2 . 1 1 54 54 VAL CA C 54 59.565 59.565 60.598 -1.033 18954 684 1 2 . 1 1 54 54 VAL CB C 54 30.833 30.833 33.694 -2.861 18954 685 1 2 . 1 1 54 54 VAL H H 54 7.041 7.041 7.282 -0.241 18954 686 1 2 . 1 1 55 55 LYS N N 55 125.891 125.891 122.415 3.476 18954 687 1 2 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.515 0.233 18954 688 1 2 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.822 -3.220 18954 689 1 2 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.317 -0.029 18954 690 1 2 . 1 1 55 55 LYS H H 55 9.138 9.138 8.609 0.529 18954 691 1 2 . 1 1 56 56 GLY N N 56 109.312 109.312 108.842 0.470 18954 692 1 2 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.010 -0.294 18954 693 1 2 . 1 1 56 56 GLY H H 56 8.489 8.489 8.507 -0.018 18954 694 1 2 . 1 1 57 57 MET N N 57 118.391 118.391 128.080 -9.689 18954 695 1 2 . 1 1 57 57 MET HA H 57 4.930 4.930 4.724 0.206 18954 696 1 2 . 1 1 57 57 MET CA C 57 53.906 53.906 56.649 -2.743 18954 697 1 2 . 1 1 57 57 MET CB C 57 30.841 30.841 33.527 -2.686 18954 698 1 2 . 1 1 57 57 MET H H 57 8.039 8.039 8.211 -0.172 18954 699 1 2 . 1 1 58 58 VAL N N 58 124.257 124.257 120.277 3.980 18954 700 1 2 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.718 -0.269 18954 701 1 2 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.195 -2.145 18954 702 1 2 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.748 -0.892 18954 703 1 2 . 1 1 58 58 VAL H H 58 8.780 8.780 8.982 -0.202 18954 704 1 2 . 1 1 59 59 PHE N N 59 120.512 120.512 119.924 0.588 18954 705 1 2 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.545 0.430 18954 706 1 2 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.120 -2.556 18954 707 1 2 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.686 -1.996 18954 708 1 2 . 1 1 59 59 PHE H H 59 8.432 8.432 8.392 0.040 18954 709 1 2 . 1 1 60 60 LEU N N 60 120.934 120.934 123.268 -2.334 18954 710 1 2 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.361 0.015 18954 711 1 2 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.647 -3.420 18954 712 1 2 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.863 -2.338 18954 713 1 2 . 1 1 60 60 LEU H H 60 8.291 8.291 8.047 0.244 18954 714 1 2 . 1 1 61 61 LYS N N 61 122.117 122.117 118.943 3.174 18954 715 1 2 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.153 -0.172 18954 716 1 2 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.345 -1.802 18954 717 1 2 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.005 -2.363 18954 718 1 2 . 1 1 61 61 LYS H H 61 8.371 8.371 8.410 -0.039 18954 719 1 2 . 1 1 62 62 GLY N N 62 114.590 114.590 107.542 7.048 18954 720 1 2 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.170 -1.198 18954 721 1 2 . 1 1 62 62 GLY H H 62 8.870 8.870 7.442 1.428 18954 722 1 2 . 1 1 63 63 LYS N N 63 111.406 111.406 119.024 -7.618 18954 723 1 2 . 1 1 63 63 LYS H H 63 8.129 8.129 8.545 -0.416 18954 724 1 2 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.909 -0.443 18954 725 1 2 . 1 1 64 64 LEU CA C 64 52.271 52.271 53.770 -1.500 18954 726 1 2 . 1 1 64 64 LEU CB C 64 38.456 38.456 41.769 -3.313 18954 727 1 2 . 1 1 65 65 GLY N N 65 105.164 105.164 104.911 0.253 18954 728 1 2 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.507 -2.915 18954 729 1 2 . 1 1 65 65 GLY H H 65 7.375 7.375 7.433 -0.058 18954 730 1 2 . 1 1 66 66 VAL N N 66 111.490 111.490 113.839 -2.349 18954 731 1 2 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.867 0.524 18954 732 1 2 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.170 -2.904 18954 733 1 2 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.450 -1.399 18954 734 1 2 . 1 1 66 66 VAL H H 66 9.127 9.127 7.709 1.418 18954 735 1 2 . 1 1 67 67 CYS N N 67 116.847 116.847 114.807 2.040 18954 736 1 2 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.360 0.134 18954 737 1 2 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.422 -2.552 18954 738 1 2 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.820 -3.335 18954 739 1 2 . 1 1 67 67 CYS H H 67 8.914 8.914 8.862 0.052 18954 740 1 2 . 1 1 68 68 PHE N N 68 116.013 116.013 114.200 1.813 18954 741 1 2 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.969 -0.329 18954 742 1 2 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.481 -2.845 18954 743 1 2 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.953 -3.989 18954 744 1 2 . 1 1 68 68 PHE H H 68 8.118 8.118 7.926 0.192 18954 745 1 2 . 1 1 69 69 ASP N N 69 119.562 119.562 120.552 -0.990 18954 746 1 2 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.527 0.210 18954 747 1 2 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.185 -4.022 18954 748 1 2 . 1 1 69 69 ASP CB C 69 40.589 40.589 44.433 -3.844 18954 749 1 2 . 1 1 69 69 ASP H H 69 8.999 8.999 8.600 0.399 18954 750 1 2 . 1 1 70 70 VAL N N 70 114.283 114.283 115.243 -0.960 18954 751 1 2 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.900 0.434 18954 752 1 2 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.781 -2.817 18954 753 1 2 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.399 -2.863 18954 754 1 2 . 1 1 70 70 VAL H H 70 8.913 8.913 8.186 0.727 18954 755 1 2 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.194 1.033 18954 756 1 2 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.033 -2.195 18954 757 1 2 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.555 -2.082 18954 758 1 2 . 1 1 72 72 THR N N 72 121.039 121.039 120.723 0.316 18954 759 1 2 . 1 1 72 72 THR HA H 72 3.597 3.597 3.789 -0.192 18954 760 1 2 . 1 1 72 72 THR CA C 72 63.671 63.671 66.901 -3.230 18954 761 1 2 . 1 1 72 72 THR CB C 72 65.826 65.826 68.180 -2.353 18954 762 1 2 . 1 1 72 72 THR H H 72 8.235 8.235 8.602 -0.367 18954 763 1 2 . 1 1 73 73 ALA N N 73 120.196 120.196 121.510 -1.314 18954 764 1 2 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.186 -0.043 18954 765 1 2 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.150 -2.679 18954 766 1 2 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.997 -1.902 18954 767 1 2 . 1 1 73 73 ALA H H 73 8.466 8.466 8.194 0.272 18954 768 1 2 . 1 1 74 74 SER N N 74 112.214 112.214 112.223 -0.009 18954 769 1 2 . 1 1 74 74 SER HA H 74 4.552 4.552 4.494 0.058 18954 770 1 2 . 1 1 74 74 SER CA C 74 57.492 57.492 58.855 -1.363 18954 771 1 2 . 1 1 74 74 SER CB C 74 62.101 62.101 63.976 -1.875 18954 772 1 2 . 1 1 74 74 SER H H 74 8.019 8.019 7.822 0.197 18954 773 1 2 . 1 1 75 75 VAL N N 75 121.652 121.652 122.613 -0.961 18954 774 1 2 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.722 -0.467 18954 775 1 2 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.426 -1.419 18954 776 1 2 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.505 -2.155 18954 777 1 2 . 1 1 75 75 VAL H H 75 7.222 7.222 7.935 -0.713 18954 778 1 2 . 1 1 76 76 THR N N 76 113.812 113.812 110.599 3.213 18954 779 1 2 . 1 1 76 76 THR HA H 76 3.963 3.963 4.377 -0.414 18954 780 1 2 . 1 1 76 76 THR CA C 76 63.804 63.804 63.711 0.093 18954 781 1 2 . 1 1 76 76 THR CB C 76 65.567 65.567 68.326 -2.759 18954 782 1 2 . 1 1 76 76 THR H H 76 8.107 8.107 7.535 0.572 18954 783 1 2 . 1 1 77 77 GLU N N 77 121.634 121.634 119.958 1.676 18954 784 1 2 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.524 -0.491 18954 785 1 2 . 1 1 77 77 GLU CA C 77 56.356 56.356 56.266 0.090 18954 786 1 2 . 1 1 77 77 GLU CB C 77 27.032 27.032 31.119 -4.087 18954 787 1 2 . 1 1 77 77 GLU H H 77 7.737 7.737 7.927 -0.190 18954 788 1 2 . 1 1 78 78 ILE N N 78 119.383 119.383 119.666 -0.283 18954 789 1 2 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.781 -0.170 18954 790 1 2 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.144 -2.055 18954 791 1 2 . 1 1 78 78 ILE CB C 78 35.616 35.616 38.492 -2.876 18954 792 1 2 . 1 1 78 78 ILE H H 78 7.694 7.694 8.232 -0.538 18954 793 1 2 . 1 1 79 79 GLN N N 79 116.015 116.015 118.522 -2.507 18954 794 1 2 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.039 -0.111 18954 795 1 2 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.937 -2.269 18954 796 1 2 . 1 1 79 79 GLN CB C 79 26.407 26.407 27.923 -1.516 18954 797 1 2 . 1 1 79 79 GLN H H 79 8.319 8.319 8.138 0.181 18954 798 1 2 . 1 1 80 80 GLU N N 80 116.824 116.824 117.130 -0.306 18954 799 1 2 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.156 -0.089 18954 800 1 2 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.144 -2.553 18954 801 1 2 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.024 -1.595 18954 802 1 2 . 1 1 80 80 GLU H H 80 7.884 7.884 8.503 -0.619 18954 803 1 2 . 1 1 81 81 LYS N N 81 118.113 118.113 116.941 1.172 18954 804 1 2 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.643 -0.449 18954 805 1 2 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.341 -0.498 18954 806 1 2 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.835 -1.059 18954 807 1 2 . 1 1 81 81 LYS H H 81 7.396 7.396 8.023 -0.627 18954 808 1 2 . 1 1 82 82 TRP N N 82 119.572 119.572 120.697 -1.125 18954 809 1 2 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.951 -0.839 18954 810 1 2 . 1 1 82 82 TRP CA C 82 55.919 55.919 56.532 -0.613 18954 811 1 2 . 1 1 82 82 TRP CB C 82 27.453 27.453 31.958 -4.505 18954 812 1 2 . 1 1 82 82 TRP H H 82 7.966 7.966 7.745 0.221 18954 813 1 2 . 1 1 83 83 HIS N N 83 126.139 126.139 124.443 1.696 18954 814 1 2 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.788 -0.124 18954 815 1 2 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.935 -3.280 18954 816 1 2 . 1 1 83 83 HIS CB C 83 28.017 28.017 33.281 -5.264 18954 817 1 2 . 1 1 83 83 HIS H H 83 8.566 8.566 8.217 0.349 18954 818 1 2 . 1 1 84 84 ASP N N 84 125.751 125.751 123.851 1.900 18954 819 1 2 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.545 0.454 18954 820 1 2 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.126 -2.507 18954 821 1 2 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.255 -1.514 18954 822 1 2 . 1 1 84 84 ASP H H 84 8.913 8.913 8.631 0.282 18954 823 1 2 . 1 1 85 85 SER N N 85 116.332 116.332 118.906 -2.574 18954 824 1 2 . 1 1 85 85 SER HA H 85 4.924 4.924 4.660 0.264 18954 825 1 2 . 1 1 85 85 SER CA C 85 53.657 53.657 57.071 -3.413 18954 826 1 2 . 1 1 85 85 SER CB C 85 64.982 64.982 65.188 -0.206 18954 827 1 2 . 1 1 85 85 SER H H 85 9.621 9.621 8.109 1.512 18954 828 1 2 . 1 1 86 86 ARG N N 86 118.680 118.680 121.612 -2.932 18954 829 1 2 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.179 -0.121 18954 830 1 2 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.368 -2.521 18954 831 1 2 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.094 -2.962 18954 832 1 2 . 1 1 86 86 ARG H H 86 8.695 8.695 8.816 -0.121 18954 833 1 2 . 1 1 87 87 ARG N N 87 117.323 117.323 116.435 0.888 18954 834 1 2 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.434 -0.158 18954 835 1 2 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.995 -2.006 18954 836 1 2 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.085 -2.503 18954 837 1 2 . 1 1 87 87 ARG H H 87 7.710 7.710 8.113 -0.403 18954 838 1 2 . 1 1 88 88 TRP N N 88 115.976 115.976 120.563 -4.587 18954 839 1 2 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.459 0.418 18954 840 1 2 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.186 -3.775 18954 841 1 2 . 1 1 88 88 TRP CB C 88 32.110 32.110 31.987 0.123 18954 842 1 2 . 1 1 88 88 TRP H H 88 7.374 7.374 7.692 -0.318 18954 843 1 2 . 1 1 89 89 GLN N N 89 118.426 118.426 122.654 -4.228 18954 844 1 2 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.879 0.648 18954 845 1 2 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.067 -2.402 18954 846 1 2 . 1 1 89 89 GLN CB C 89 29.926 29.926 30.757 -0.831 18954 847 1 2 . 1 1 89 89 GLN H H 89 8.803 8.803 8.720 0.083 18954 848 1 2 . 1 1 90 90 LEU N N 90 127.680 127.680 125.438 2.242 18954 849 1 2 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.233 0.996 18954 850 1 2 . 1 1 90 90 LEU CA C 90 50.846 50.846 55.303 -4.457 18954 851 1 2 . 1 1 90 90 LEU CB C 90 39.965 39.965 42.512 -2.547 18954 852 1 2 . 1 1 90 90 LEU H H 90 8.518 8.518 8.710 -0.192 18954 853 1 2 . 1 1 91 91 SER N N 91 121.513 121.513 116.751 4.762 18954 854 1 2 . 1 1 91 91 SER HA H 91 4.639 4.639 4.673 -0.034 18954 855 1 2 . 1 1 91 91 SER CA C 91 54.241 54.241 56.887 -2.646 18954 856 1 2 . 1 1 91 91 SER CB C 91 63.274 63.274 66.079 -2.805 18954 857 1 2 . 1 1 91 91 SER H H 91 8.979 8.979 8.528 0.451 18954 858 1 2 . 1 1 92 92 VAL N N 92 120.290 120.290 120.299 -0.009 18954 859 1 2 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.072 0.044 18954 860 1 2 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.552 0.337 18954 861 1 2 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.209 -4.984 18954 862 1 2 . 1 1 92 92 VAL H H 92 8.277 8.277 8.423 -0.146 18954 863 1 2 . 1 1 93 93 ALA N N 93 130.076 130.076 129.068 1.008 18954 864 1 2 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.412 -0.233 18954 865 1 2 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.428 -2.235 18954 866 1 2 . 1 1 93 93 ALA CB C 93 16.620 16.620 18.460 -1.840 18954 867 1 2 . 1 1 93 93 ALA H H 93 8.521 8.521 8.368 0.153 18954 868 1 2 . 1 1 94 94 THR N N 94 113.705 113.705 118.658 -4.953 18954 869 1 2 . 1 1 94 94 THR HA H 94 4.190 4.190 4.146 0.044 18954 870 1 2 . 1 1 94 94 THR CA C 94 65.409 65.409 64.384 1.025 18954 871 1 2 . 1 1 94 94 THR CB C 94 67.702 67.702 69.306 -1.604 18954 872 1 2 . 1 1 94 94 THR H H 94 8.099 8.099 8.566 -0.467 18954 873 1 3 . 1 1 3 3 ILE N N 3 123.622 123.622 121.567 2.055 18954 874 1 3 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.536 -0.421 18954 875 1 3 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.206 -2.904 18954 876 1 3 . 1 1 3 3 ILE CB C 3 36.212 36.212 40.567 -4.355 18954 877 1 3 . 1 1 3 3 ILE H H 3 8.271 8.271 9.114 -0.843 18954 878 1 3 . 1 1 4 4 SER N N 4 120.605 120.605 122.229 -1.624 18954 879 1 3 . 1 1 4 4 SER HA H 4 4.368 4.368 4.747 -0.379 18954 880 1 3 . 1 1 4 4 SER CA C 4 55.796 55.796 57.263 -1.466 18954 881 1 3 . 1 1 4 4 SER CB C 4 60.945 60.945 65.776 -4.831 18954 882 1 3 . 1 1 4 4 SER H H 4 8.425 8.425 8.203 0.222 18954 883 1 3 . 1 1 5 5 GLY N N 5 111.455 111.455 108.588 2.867 18954 884 1 3 . 1 1 5 5 GLY CA C 5 42.781 42.781 45.809 -3.028 18954 885 1 3 . 1 1 5 5 GLY H H 5 8.406 8.406 8.922 -0.516 18954 886 1 3 . 1 1 6 6 ALA N N 6 123.660 123.660 122.222 1.438 18954 887 1 3 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.569 -0.250 18954 888 1 3 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.005 -2.111 18954 889 1 3 . 1 1 6 6 ALA CB C 6 16.928 16.928 18.155 -1.227 18954 890 1 3 . 1 1 6 6 ALA H H 6 8.103 8.103 8.063 0.040 18954 891 1 3 . 1 1 7 7 THR N N 7 113.014 113.014 112.043 0.971 18954 892 1 3 . 1 1 7 7 THR HA H 7 4.309 4.309 4.569 -0.260 18954 893 1 3 . 1 1 7 7 THR CA C 7 58.886 58.886 60.575 -1.689 18954 894 1 3 . 1 1 7 7 THR CB C 7 67.461 67.461 70.123 -2.662 18954 895 1 3 . 1 1 7 7 THR H H 7 8.108 8.108 7.500 0.608 18954 896 1 3 . 1 1 8 8 SER N N 8 118.032 118.032 116.148 1.884 18954 897 1 3 . 1 1 8 8 SER HA H 8 4.434 4.434 4.389 0.045 18954 898 1 3 . 1 1 8 8 SER CA C 8 55.537 55.537 59.574 -4.037 18954 899 1 3 . 1 1 8 8 SER CB C 8 61.305 61.305 63.510 -2.205 18954 900 1 3 . 1 1 8 8 SER H H 8 8.222 8.222 8.563 -0.341 18954 901 1 3 . 1 1 9 9 VAL N N 9 121.129 121.129 119.454 1.675 18954 902 1 3 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.278 -0.256 18954 903 1 3 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.855 -2.841 18954 904 1 3 . 1 1 9 9 VAL CB C 9 30.139 30.139 33.296 -3.157 18954 905 1 3 . 1 1 9 9 VAL H H 9 8.098 8.098 8.232 -0.134 18954 906 1 3 . 1 1 10 10 ASP N N 10 123.102 123.102 123.411 -0.309 18954 907 1 3 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.877 -0.374 18954 908 1 3 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.072 -2.437 18954 909 1 3 . 1 1 10 10 ASP CB C 10 38.671 38.671 39.568 -0.897 18954 910 1 3 . 1 1 10 10 ASP H H 10 8.242 8.242 8.239 0.003 18954 911 1 3 . 1 1 11 11 GLN N N 11 121.449 121.449 123.809 -2.360 18954 912 1 3 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.469 -0.304 18954 913 1 3 . 1 1 11 11 GLN CA C 11 53.773 53.773 56.083 -2.310 18954 914 1 3 . 1 1 11 11 GLN CB C 11 26.558 26.558 29.291 -2.733 18954 915 1 3 . 1 1 11 11 GLN H H 11 8.247 8.247 8.177 0.070 18954 916 1 3 . 1 1 12 12 ARG N N 12 121.029 121.029 119.897 1.132 18954 917 1 3 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.443 -0.216 18954 918 1 3 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.636 2.998 18954 919 1 3 . 1 1 12 12 ARG CB C 12 28.284 28.284 30.822 -2.538 18954 920 1 3 . 1 1 12 12 ARG H H 12 8.215 8.215 8.890 -0.675 18954 921 1 3 . 1 1 13 13 SER N N 13 121.168 121.168 113.452 7.716 18954 922 1 3 . 1 1 13 13 SER HA H 13 4.327 4.327 4.726 -0.399 18954 923 1 3 . 1 1 13 13 SER CA C 13 56.317 56.317 57.249 -0.932 18954 924 1 3 . 1 1 13 13 SER CB C 13 61.153 61.153 66.169 -5.016 18954 925 1 3 . 1 1 13 13 SER H H 13 8.483 8.483 7.751 0.732 18954 926 1 3 . 1 1 14 14 LEU N N 14 115.731 115.731 123.101 -7.370 18954 927 1 3 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.375 -0.128 18954 928 1 3 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.655 -3.782 18954 929 1 3 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.476 -1.787 18954 930 1 3 . 1 1 14 14 LEU H H 14 8.124 8.124 8.641 -0.517 18954 931 1 3 . 1 1 15 15 ILE N N 15 119.991 119.991 112.302 7.689 18954 932 1 3 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.495 -0.498 18954 933 1 3 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.273 -1.433 18954 934 1 3 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.484 -1.279 18954 935 1 3 . 1 1 15 15 ILE H H 15 7.859 7.859 7.691 0.168 18954 936 1 3 . 1 1 16 16 ASN N N 16 120.780 120.780 121.006 -0.226 18954 937 1 3 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.410 0.303 18954 938 1 3 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.116 -1.663 18954 939 1 3 . 1 1 16 16 ASN H H 16 8.014 8.014 7.953 0.061 18954 940 1 3 . 1 1 17 17 SER N N 17 115.640 115.640 110.660 4.980 18954 941 1 3 . 1 1 17 17 SER HA H 17 4.300 4.300 4.512 -0.212 18954 942 1 3 . 1 1 17 17 SER CA C 17 56.001 56.001 57.756 -1.755 18954 943 1 3 . 1 1 17 17 SER CB C 17 60.894 60.894 63.993 -3.099 18954 944 1 3 . 1 1 17 17 SER H H 17 8.121 8.121 7.856 0.265 18954 945 1 3 . 1 1 18 18 ASN N N 18 121.876 121.876 120.062 1.814 18954 946 1 3 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.959 -0.228 18954 947 1 3 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.273 -2.980 18954 948 1 3 . 1 1 18 18 ASN H H 18 8.376 8.376 7.778 0.598 18954 949 1 3 . 1 1 19 19 VAL N N 19 120.480 120.480 123.395 -2.915 18954 950 1 3 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.465 -0.436 18954 951 1 3 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.398 -1.050 18954 952 1 3 . 1 1 19 19 VAL CB C 19 29.903 29.903 34.647 -4.744 18954 953 1 3 . 1 1 19 19 VAL H H 19 8.022 8.022 7.966 0.056 18954 954 1 3 . 1 1 20 20 GLY N N 20 112.265 112.265 114.814 -2.549 18954 955 1 3 . 1 1 20 20 GLY CA C 20 42.698 42.698 46.041 -3.343 18954 956 1 3 . 1 1 20 20 GLY H H 20 8.567 8.567 8.196 0.371 18954 957 1 3 . 1 1 21 21 PHE N N 21 119.701 119.701 120.176 -0.475 18954 958 1 3 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.453 -0.320 18954 959 1 3 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.435 -3.077 18954 960 1 3 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.278 -2.384 18954 961 1 3 . 1 1 21 21 PHE H H 21 7.917 7.917 8.303 -0.386 18954 962 1 3 . 1 1 22 22 VAL N N 22 120.733 120.733 122.205 -1.472 18954 963 1 3 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.585 -0.324 18954 964 1 3 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.298 -2.326 18954 965 1 3 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.200 -2.122 18954 966 1 3 . 1 1 22 22 VAL H H 22 9.221 9.221 9.188 0.033 18954 967 1 3 . 1 1 23 23 THR N N 23 123.388 123.388 120.032 3.356 18954 968 1 3 . 1 1 23 23 THR HA H 23 4.967 4.967 4.641 0.326 18954 969 1 3 . 1 1 23 23 THR CA C 23 59.731 59.731 63.517 -3.786 18954 970 1 3 . 1 1 23 23 THR CB C 23 66.715 66.715 69.255 -2.540 18954 971 1 3 . 1 1 23 23 THR H H 23 8.403 8.403 8.496 -0.093 18954 972 1 3 . 1 1 24 24 MET N N 24 125.957 125.957 122.594 3.363 18954 973 1 3 . 1 1 24 24 MET HA H 24 4.702 4.702 4.660 0.042 18954 974 1 3 . 1 1 24 24 MET CA C 24 51.056 51.056 54.552 -3.496 18954 975 1 3 . 1 1 24 24 MET CB C 24 32.115 32.115 36.333 -4.218 18954 976 1 3 . 1 1 24 24 MET H H 24 9.289 9.289 8.820 0.469 18954 977 1 3 . 1 1 25 25 ILE N N 25 117.652 117.652 120.147 -2.495 18954 978 1 3 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.297 0.102 18954 979 1 3 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.846 -3.087 18954 980 1 3 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.838 -2.968 18954 981 1 3 . 1 1 25 25 ILE H H 25 8.572 8.572 8.221 0.351 18954 982 1 3 . 1 1 26 26 LEU N N 26 130.281 130.281 127.273 3.008 18954 983 1 3 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.785 0.429 18954 984 1 3 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.987 -3.876 18954 985 1 3 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.029 -2.666 18954 986 1 3 . 1 1 26 26 LEU H H 26 8.901 8.901 9.014 -0.113 18954 987 1 3 . 1 1 27 27 GLN N N 27 125.400 125.400 123.356 2.044 18954 988 1 3 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.831 -0.058 18954 989 1 3 . 1 1 27 27 GLN CB C 27 29.511 29.511 31.144 -1.633 18954 990 1 3 . 1 1 27 27 GLN H H 27 9.330 9.330 8.316 1.014 18954 991 1 3 . 1 1 28 28 CYS N N 28 124.065 124.065 122.869 1.196 18954 992 1 3 . 1 1 28 28 CYS HA H 28 5.123 5.123 5.037 0.086 18954 993 1 3 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.173 -3.138 18954 994 1 3 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.696 -0.517 18954 995 1 3 . 1 1 28 28 CYS H H 28 8.585 8.585 8.734 -0.149 18954 996 1 3 . 1 1 29 29 SER N N 29 121.076 121.076 116.307 4.769 18954 997 1 3 . 1 1 29 29 SER HA H 29 4.160 4.160 4.555 -0.395 18954 998 1 3 . 1 1 29 29 SER CA C 29 57.073 57.073 57.831 -0.758 18954 999 1 3 . 1 1 29 29 SER CB C 29 60.725 60.725 63.126 -2.401 18954 1000 1 3 . 1 1 29 29 SER H H 29 8.519 8.519 8.074 0.445 18954 1001 1 3 . 1 1 30 30 ILE N N 30 117.987 117.987 115.554 2.433 18954 1002 1 3 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.449 -0.141 18954 1003 1 3 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.366 -1.785 18954 1004 1 3 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.469 -2.078 18954 1005 1 3 . 1 1 30 30 ILE H H 30 7.343 7.343 7.131 0.212 18954 1006 1 3 . 1 1 31 31 GLU N N 31 119.585 119.585 123.147 -3.562 18954 1007 1 3 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.358 -0.680 18954 1008 1 3 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.922 -2.698 18954 1009 1 3 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.483 -3.122 18954 1010 1 3 . 1 1 31 31 GLU H H 31 7.901 7.901 8.392 -0.491 18954 1011 1 3 . 1 1 32 32 MET N N 32 126.504 126.504 125.834 0.670 18954 1012 1 3 . 1 1 32 32 MET HA H 32 4.297 4.297 4.541 -0.244 18954 1013 1 3 . 1 1 32 32 MET CA C 32 50.919 50.919 52.578 -1.659 18954 1014 1 3 . 1 1 32 32 MET CB C 32 32.696 32.696 33.036 -0.340 18954 1015 1 3 . 1 1 32 32 MET H H 32 8.406 8.406 8.324 0.082 18954 1016 1 3 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.286 -0.095 18954 1017 1 3 . 1 1 33 33 PRO CA C 33 61.767 61.767 63.547 -1.780 18954 1018 1 3 . 1 1 33 33 PRO CB C 33 30.026 30.026 32.063 -2.037 18954 1019 1 3 . 1 1 34 34 ASN N N 34 107.313 107.313 115.217 -7.904 18954 1020 1 3 . 1 1 34 34 ASN HA H 34 4.816 4.816 4.997 -0.181 18954 1021 1 3 . 1 1 34 34 ASN CA C 34 49.972 49.972 52.060 -2.088 18954 1022 1 3 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.090 -1.953 18954 1023 1 3 . 1 1 34 34 ASN H H 34 7.077 7.077 7.824 -0.747 18954 1024 1 3 . 1 1 35 35 ILE N N 35 122.015 122.015 120.133 1.882 18954 1025 1 3 . 1 1 35 35 ILE HA H 35 3.943 3.943 4.073 -0.130 18954 1026 1 3 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.139 -1.363 18954 1027 1 3 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.699 -2.309 18954 1028 1 3 . 1 1 35 35 ILE H H 35 9.109 9.109 8.851 0.258 18954 1029 1 3 . 1 1 36 36 SER N N 36 119.851 119.851 116.578 3.273 18954 1030 1 3 . 1 1 36 36 SER HA H 36 4.366 4.366 4.443 -0.077 18954 1031 1 3 . 1 1 36 36 SER CA C 36 59.274 59.274 61.498 -2.224 18954 1032 1 3 . 1 1 36 36 SER CB C 36 59.818 59.818 63.035 -3.217 18954 1033 1 3 . 1 1 36 36 SER H H 36 8.936 8.936 8.247 0.689 18954 1034 1 3 . 1 1 37 37 TYR N N 37 122.338 122.338 122.273 0.065 18954 1035 1 3 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.203 -0.000 18954 1036 1 3 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.833 -3.647 18954 1037 1 3 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.100 -1.707 18954 1038 1 3 . 1 1 37 37 TYR H H 37 7.808 7.808 7.976 -0.168 18954 1039 1 3 . 1 1 38 38 ALA N N 38 120.761 120.761 121.839 -1.078 18954 1040 1 3 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.829 0.042 18954 1041 1 3 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.722 -2.925 18954 1042 1 3 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.998 -1.342 18954 1043 1 3 . 1 1 38 38 ALA H H 38 7.364 7.364 7.987 -0.623 18954 1044 1 3 . 1 1 39 39 TRP N N 39 115.813 115.813 118.994 -3.181 18954 1045 1 3 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.070 0.006 18954 1046 1 3 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.800 -3.070 18954 1047 1 3 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.273 -1.560 18954 1048 1 3 . 1 1 39 39 TRP H H 39 7.134 7.134 7.661 -0.527 18954 1049 1 3 . 1 1 40 40 LYS N N 40 117.209 117.209 118.304 -1.095 18954 1050 1 3 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.856 -0.007 18954 1051 1 3 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.138 -3.154 18954 1052 1 3 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.094 -2.105 18954 1053 1 3 . 1 1 40 40 LYS H H 40 8.091 8.091 8.462 -0.371 18954 1054 1 3 . 1 1 41 41 GLU N N 41 119.521 119.521 119.635 -0.114 18954 1055 1 3 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.979 -0.025 18954 1056 1 3 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.061 -3.159 18954 1057 1 3 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.970 -3.048 18954 1058 1 3 . 1 1 41 41 GLU H H 41 6.674 6.674 7.474 -0.800 18954 1059 1 3 . 1 1 42 42 LEU N N 42 117.269 117.269 119.434 -2.165 18954 1060 1 3 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.063 -0.176 18954 1061 1 3 . 1 1 42 42 LEU CA C 42 55.840 55.840 57.740 -1.900 18954 1062 1 3 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.684 -1.846 18954 1063 1 3 . 1 1 42 42 LEU H H 42 7.866 7.866 8.291 -0.425 18954 1064 1 3 . 1 1 43 43 LYS N N 43 117.633 117.633 120.214 -2.581 18954 1065 1 3 . 1 1 43 43 LYS HA H 43 3.969 3.969 3.995 -0.026 18954 1066 1 3 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.968 -3.961 18954 1067 1 3 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.318 -2.226 18954 1068 1 3 . 1 1 43 43 LYS H H 43 8.458 8.458 8.350 0.108 18954 1069 1 3 . 1 1 44 44 GLU N N 44 120.906 120.906 117.749 3.157 18954 1070 1 3 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.052 -0.209 18954 1071 1 3 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.723 -1.768 18954 1072 1 3 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.624 -2.769 18954 1073 1 3 . 1 1 44 44 GLU H H 44 8.013 8.013 7.976 0.037 18954 1074 1 3 . 1 1 45 45 GLN N N 45 113.584 113.584 115.066 -1.482 18954 1075 1 3 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.354 -0.216 18954 1076 1 3 . 1 1 45 45 GLN CA C 45 58.177 58.177 56.503 1.674 18954 1077 1 3 . 1 1 45 45 GLN CB C 45 27.536 27.536 30.445 -2.909 18954 1078 1 3 . 1 1 45 45 GLN H H 45 7.665 7.665 7.636 0.029 18954 1079 1 3 . 1 1 46 46 LEU N N 46 114.594 114.594 117.602 -3.008 18954 1080 1 3 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.613 -0.143 18954 1081 1 3 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.334 -2.405 18954 1082 1 3 . 1 1 46 46 LEU CB C 46 39.636 39.636 43.183 -3.547 18954 1083 1 3 . 1 1 46 46 LEU H H 46 8.652 8.652 7.903 0.749 18954 1084 1 3 . 1 1 47 47 GLY N N 47 110.084 110.084 107.856 2.228 18954 1085 1 3 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.599 -2.760 18954 1086 1 3 . 1 1 47 47 GLY H H 47 7.642 7.642 7.732 -0.090 18954 1087 1 3 . 1 1 48 48 GLU N N 48 118.535 118.535 121.265 -2.730 18954 1088 1 3 . 1 1 48 48 GLU HA H 48 3.712 3.712 3.976 -0.264 18954 1089 1 3 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.713 -2.291 18954 1090 1 3 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.840 -2.374 18954 1091 1 3 . 1 1 48 48 GLU H H 48 8.348 8.348 8.841 -0.493 18954 1092 1 3 . 1 1 49 49 GLU N N 49 114.460 114.460 116.944 -2.484 18954 1093 1 3 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.268 0.105 18954 1094 1 3 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.873 -2.460 18954 1095 1 3 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.440 -2.479 18954 1096 1 3 . 1 1 49 49 GLU H H 49 8.498 8.498 8.389 0.109 18954 1097 1 3 . 1 1 50 50 ILE N N 50 121.524 121.524 121.490 0.034 18954 1098 1 3 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.863 0.239 18954 1099 1 3 . 1 1 50 50 ILE CA C 50 57.703 57.703 62.032 -4.330 18954 1100 1 3 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.354 -2.617 18954 1101 1 3 . 1 1 50 50 ILE H H 50 7.617 7.617 7.323 0.294 18954 1102 1 3 . 1 1 51 51 ASP N N 51 119.881 119.881 120.575 -0.694 18954 1103 1 3 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.440 -0.140 18954 1104 1 3 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.311 -2.779 18954 1105 1 3 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.693 -2.494 18954 1106 1 3 . 1 1 51 51 ASP H H 51 7.926 7.926 8.671 -0.745 18954 1107 1 3 . 1 1 52 52 SER N N 52 113.164 113.164 113.627 -0.463 18954 1108 1 3 . 1 1 52 52 SER HA H 52 4.403 4.403 4.508 -0.105 18954 1109 1 3 . 1 1 52 52 SER CA C 52 56.968 56.968 59.318 -2.350 18954 1110 1 3 . 1 1 52 52 SER CB C 52 61.183 61.183 63.587 -2.404 18954 1111 1 3 . 1 1 52 52 SER H H 52 7.888 7.888 7.818 0.070 18954 1112 1 3 . 1 1 53 53 LYS N N 53 120.411 120.411 120.504 -0.093 18954 1113 1 3 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.539 -0.085 18954 1114 1 3 . 1 1 53 53 LYS CA C 53 53.813 53.813 56.361 -2.548 18954 1115 1 3 . 1 1 53 53 LYS CB C 53 32.359 32.359 34.051 -1.692 18954 1116 1 3 . 1 1 53 53 LYS H H 53 7.714 7.714 8.091 -0.377 18954 1117 1 3 . 1 1 54 54 VAL N N 54 116.701 116.701 119.123 -2.422 18954 1118 1 3 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.134 0.333 18954 1119 1 3 . 1 1 54 54 VAL CA C 54 59.565 59.565 61.838 -2.273 18954 1120 1 3 . 1 1 54 54 VAL CB C 54 30.833 30.833 32.953 -2.120 18954 1121 1 3 . 1 1 54 54 VAL H H 54 7.041 7.041 7.658 -0.617 18954 1122 1 3 . 1 1 55 55 LYS N N 55 125.891 125.891 125.017 0.874 18954 1123 1 3 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.451 0.297 18954 1124 1 3 . 1 1 55 55 LYS CA C 55 51.602 51.602 55.195 -3.593 18954 1125 1 3 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.096 0.192 18954 1126 1 3 . 1 1 55 55 LYS H H 55 9.138 9.138 8.629 0.509 18954 1127 1 3 . 1 1 56 56 GLY N N 56 109.312 109.312 108.809 0.503 18954 1128 1 3 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.093 -0.377 18954 1129 1 3 . 1 1 56 56 GLY H H 56 8.489 8.489 8.437 0.052 18954 1130 1 3 . 1 1 57 57 MET N N 57 118.391 118.391 127.348 -8.957 18954 1131 1 3 . 1 1 57 57 MET HA H 57 4.930 4.930 4.494 0.436 18954 1132 1 3 . 1 1 57 57 MET CA C 57 53.906 53.906 56.415 -2.509 18954 1133 1 3 . 1 1 57 57 MET CB C 57 30.841 30.841 33.337 -2.496 18954 1134 1 3 . 1 1 57 57 MET H H 57 8.039 8.039 7.891 0.148 18954 1135 1 3 . 1 1 58 58 VAL N N 58 124.257 124.257 120.688 3.569 18954 1136 1 3 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.588 -0.139 18954 1137 1 3 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.332 -3.282 18954 1138 1 3 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.310 -0.454 18954 1139 1 3 . 1 1 58 58 VAL H H 58 8.780 8.780 8.780 -0.000 18954 1140 1 3 . 1 1 59 59 PHE N N 59 120.512 120.512 124.089 -3.577 18954 1141 1 3 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.433 0.542 18954 1142 1 3 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.522 -2.958 18954 1143 1 3 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.359 -1.669 18954 1144 1 3 . 1 1 59 59 PHE H H 59 8.432 8.432 8.658 -0.226 18954 1145 1 3 . 1 1 60 60 LEU N N 60 120.934 120.934 126.371 -5.437 18954 1146 1 3 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.342 0.034 18954 1147 1 3 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.780 -3.553 18954 1148 1 3 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.833 -2.308 18954 1149 1 3 . 1 1 60 60 LEU H H 60 8.291 8.291 8.368 -0.077 18954 1150 1 3 . 1 1 61 61 LYS N N 61 122.117 122.117 119.151 2.966 18954 1151 1 3 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.269 -0.288 18954 1152 1 3 . 1 1 61 61 LYS CA C 61 55.543 55.543 56.219 -0.676 18954 1153 1 3 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.631 -2.989 18954 1154 1 3 . 1 1 61 61 LYS H H 61 8.371 8.371 8.286 0.085 18954 1155 1 3 . 1 1 62 62 GLY N N 62 114.590 114.590 109.949 4.641 18954 1156 1 3 . 1 1 62 62 GLY CA C 62 42.972 42.972 45.149 -2.177 18954 1157 1 3 . 1 1 62 62 GLY H H 62 8.870 8.870 8.662 0.208 18954 1158 1 3 . 1 1 63 63 LYS N N 63 111.406 111.406 114.457 -3.051 18954 1159 1 3 . 1 1 63 63 LYS H H 63 8.129 8.129 8.408 -0.279 18954 1160 1 3 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.691 -0.225 18954 1161 1 3 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.436 -2.165 18954 1162 1 3 . 1 1 64 64 LEU CB C 64 38.456 38.456 41.914 -3.458 18954 1163 1 3 . 1 1 65 65 GLY N N 65 105.164 105.164 104.205 0.959 18954 1164 1 3 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.203 -2.611 18954 1165 1 3 . 1 1 65 65 GLY H H 65 7.375 7.375 7.354 0.021 18954 1166 1 3 . 1 1 66 66 VAL N N 66 111.490 111.490 117.984 -6.494 18954 1167 1 3 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.789 0.602 18954 1168 1 3 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.648 -3.381 18954 1169 1 3 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.666 -1.615 18954 1170 1 3 . 1 1 66 66 VAL H H 66 9.127 9.127 8.610 0.517 18954 1171 1 3 . 1 1 67 67 CYS N N 67 116.847 116.847 117.229 -0.382 18954 1172 1 3 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.266 0.228 18954 1173 1 3 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.379 -2.509 18954 1174 1 3 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.601 -3.116 18954 1175 1 3 . 1 1 67 67 CYS H H 67 8.914 8.914 8.778 0.136 18954 1176 1 3 . 1 1 68 68 PHE N N 68 116.013 116.013 115.304 0.709 18954 1177 1 3 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.896 -0.256 18954 1178 1 3 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.191 -2.555 18954 1179 1 3 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.486 -3.522 18954 1180 1 3 . 1 1 68 68 PHE H H 68 8.118 8.118 8.460 -0.342 18954 1181 1 3 . 1 1 69 69 ASP N N 69 119.562 119.562 120.728 -1.166 18954 1182 1 3 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.415 0.322 18954 1183 1 3 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.120 -3.957 18954 1184 1 3 . 1 1 69 69 ASP CB C 69 40.589 40.589 42.222 -1.633 18954 1185 1 3 . 1 1 69 69 ASP H H 69 8.999 8.999 8.532 0.467 18954 1186 1 3 . 1 1 70 70 VAL N N 70 114.283 114.283 116.409 -2.126 18954 1187 1 3 . 1 1 70 70 VAL HA H 70 5.334 5.334 5.021 0.313 18954 1188 1 3 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.723 -2.759 18954 1189 1 3 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.846 -3.310 18954 1190 1 3 . 1 1 70 70 VAL H H 70 8.913 8.913 9.066 -0.153 18954 1191 1 3 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.505 0.722 18954 1192 1 3 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.769 -1.931 18954 1193 1 3 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.558 -2.085 18954 1194 1 3 . 1 1 72 72 THR N N 72 121.039 121.039 119.008 2.031 18954 1195 1 3 . 1 1 72 72 THR HA H 72 3.597 3.597 3.865 -0.268 18954 1196 1 3 . 1 1 72 72 THR CA C 72 63.671 63.671 67.229 -3.558 18954 1197 1 3 . 1 1 72 72 THR CB C 72 65.826 65.826 68.268 -2.442 18954 1198 1 3 . 1 1 72 72 THR H H 72 8.235 8.235 8.422 -0.187 18954 1199 1 3 . 1 1 73 73 ALA N N 73 120.196 120.196 119.750 0.446 18954 1200 1 3 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.303 -0.160 18954 1201 1 3 . 1 1 73 73 ALA CA C 73 51.471 51.471 52.997 -1.526 18954 1202 1 3 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.787 -1.692 18954 1203 1 3 . 1 1 73 73 ALA H H 73 8.466 8.466 8.243 0.223 18954 1204 1 3 . 1 1 74 74 SER N N 74 112.214 112.214 112.059 0.155 18954 1205 1 3 . 1 1 74 74 SER HA H 74 4.552 4.552 4.657 -0.105 18954 1206 1 3 . 1 1 74 74 SER CA C 74 57.492 57.492 58.928 -1.435 18954 1207 1 3 . 1 1 74 74 SER CB C 74 62.101 62.101 64.385 -2.284 18954 1208 1 3 . 1 1 74 74 SER H H 74 8.019 8.019 7.782 0.237 18954 1209 1 3 . 1 1 75 75 VAL N N 75 121.652 121.652 124.936 -3.284 18954 1210 1 3 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.640 -0.385 18954 1211 1 3 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.847 -1.840 18954 1212 1 3 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.510 -2.160 18954 1213 1 3 . 1 1 75 75 VAL H H 75 7.222 7.222 8.482 -1.260 18954 1214 1 3 . 1 1 76 76 THR N N 76 113.812 113.812 113.796 0.016 18954 1215 1 3 . 1 1 76 76 THR HA H 76 3.963 3.963 3.906 0.057 18954 1216 1 3 . 1 1 76 76 THR CA C 76 63.804 63.804 66.817 -3.013 18954 1217 1 3 . 1 1 76 76 THR CB C 76 65.567 65.567 68.544 -2.977 18954 1218 1 3 . 1 1 76 76 THR H H 76 8.107 8.107 7.584 0.523 18954 1219 1 3 . 1 1 77 77 GLU N N 77 121.634 121.634 122.272 -0.638 18954 1220 1 3 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.114 -0.081 18954 1221 1 3 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.310 -2.954 18954 1222 1 3 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.307 -2.275 18954 1223 1 3 . 1 1 77 77 GLU H H 77 7.737 7.737 7.416 0.321 18954 1224 1 3 . 1 1 78 78 ILE N N 78 119.383 119.383 120.820 -1.437 18954 1225 1 3 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.491 0.120 18954 1226 1 3 . 1 1 78 78 ILE CA C 78 63.089 63.089 66.032 -2.943 18954 1227 1 3 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.797 -2.181 18954 1228 1 3 . 1 1 78 78 ILE H H 78 7.694 7.694 8.441 -0.747 18954 1229 1 3 . 1 1 79 79 GLN N N 79 116.015 116.015 116.489 -0.474 18954 1230 1 3 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.063 -0.135 18954 1231 1 3 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.480 -1.812 18954 1232 1 3 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.122 -1.716 18954 1233 1 3 . 1 1 79 79 GLN H H 79 8.319 8.319 7.842 0.477 18954 1234 1 3 . 1 1 80 80 GLU N N 80 116.824 116.824 117.822 -0.998 18954 1235 1 3 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.256 -0.189 18954 1236 1 3 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.274 -2.683 18954 1237 1 3 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.165 -2.736 18954 1238 1 3 . 1 1 80 80 GLU H H 80 7.884 7.884 7.743 0.141 18954 1239 1 3 . 1 1 81 81 LYS N N 81 118.113 118.113 117.736 0.377 18954 1240 1 3 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.268 -0.074 18954 1241 1 3 . 1 1 81 81 LYS CA C 81 54.843 54.843 57.538 -2.695 18954 1242 1 3 . 1 1 81 81 LYS CB C 81 32.776 32.776 32.983 -0.207 18954 1243 1 3 . 1 1 81 81 LYS H H 81 7.396 7.396 8.056 -0.660 18954 1244 1 3 . 1 1 82 82 TRP N N 82 119.572 119.572 123.322 -3.750 18954 1245 1 3 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.476 -0.364 18954 1246 1 3 . 1 1 82 82 TRP CA C 82 55.919 55.919 57.909 -1.990 18954 1247 1 3 . 1 1 82 82 TRP CB C 82 27.453 27.453 31.220 -3.767 18954 1248 1 3 . 1 1 82 82 TRP H H 82 7.966 7.966 8.065 -0.099 18954 1249 1 3 . 1 1 83 83 HIS N N 83 126.139 126.139 117.699 8.440 18954 1250 1 3 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.873 -0.209 18954 1251 1 3 . 1 1 83 83 HIS CA C 83 51.655 51.655 53.760 -2.105 18954 1252 1 3 . 1 1 83 83 HIS CB C 83 28.017 28.017 31.929 -3.912 18954 1253 1 3 . 1 1 83 83 HIS H H 83 8.566 8.566 7.093 1.473 18954 1254 1 3 . 1 1 84 84 ASP N N 84 125.751 125.751 121.224 4.527 18954 1255 1 3 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.588 0.411 18954 1256 1 3 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.785 -2.166 18954 1257 1 3 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.965 -2.224 18954 1258 1 3 . 1 1 84 84 ASP H H 84 8.913 8.913 8.683 0.230 18954 1259 1 3 . 1 1 85 85 SER N N 85 116.332 116.332 113.220 3.112 18954 1260 1 3 . 1 1 85 85 SER HA H 85 4.924 4.924 4.738 0.186 18954 1261 1 3 . 1 1 85 85 SER CA C 85 53.657 53.657 56.852 -3.195 18954 1262 1 3 . 1 1 85 85 SER CB C 85 64.982 64.982 64.959 0.023 18954 1263 1 3 . 1 1 85 85 SER H H 85 9.621 9.621 8.214 1.407 18954 1264 1 3 . 1 1 86 86 ARG N N 86 118.680 118.680 122.042 -3.362 18954 1265 1 3 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.203 -0.145 18954 1266 1 3 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.614 -2.767 18954 1267 1 3 . 1 1 86 86 ARG CB C 86 27.132 27.132 29.936 -2.804 18954 1268 1 3 . 1 1 86 86 ARG H H 86 8.695 8.695 8.914 -0.219 18954 1269 1 3 . 1 1 87 87 ARG N N 87 117.323 117.323 117.541 -0.218 18954 1270 1 3 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.443 -0.167 18954 1271 1 3 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.702 -1.713 18954 1272 1 3 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.145 -2.563 18954 1273 1 3 . 1 1 87 87 ARG H H 87 7.710 7.710 8.177 -0.467 18954 1274 1 3 . 1 1 88 88 TRP N N 88 115.976 115.976 119.568 -3.592 18954 1275 1 3 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.330 0.547 18954 1276 1 3 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.424 -4.013 18954 1277 1 3 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.406 -0.296 18954 1278 1 3 . 1 1 88 88 TRP H H 88 7.374 7.374 7.755 -0.381 18954 1279 1 3 . 1 1 89 89 GLN N N 89 118.426 118.426 120.785 -2.359 18954 1280 1 3 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.992 0.535 18954 1281 1 3 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.419 -2.753 18954 1282 1 3 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.084 -2.158 18954 1283 1 3 . 1 1 89 89 GLN H H 89 8.803 8.803 8.462 0.341 18954 1284 1 3 . 1 1 90 90 LEU N N 90 127.680 127.680 124.842 2.838 18954 1285 1 3 . 1 1 90 90 LEU HA H 90 5.229 5.229 5.008 0.221 18954 1286 1 3 . 1 1 90 90 LEU CA C 90 50.846 50.846 55.029 -4.183 18954 1287 1 3 . 1 1 90 90 LEU CB C 90 39.965 39.965 42.971 -3.006 18954 1288 1 3 . 1 1 90 90 LEU H H 90 8.518 8.518 8.764 -0.246 18954 1289 1 3 . 1 1 91 91 SER N N 91 121.513 121.513 113.409 8.104 18954 1290 1 3 . 1 1 91 91 SER HA H 91 4.639 4.639 4.660 -0.021 18954 1291 1 3 . 1 1 91 91 SER CA C 91 54.241 54.241 56.913 -2.672 18954 1292 1 3 . 1 1 91 91 SER CB C 91 63.274 63.274 65.786 -2.512 18954 1293 1 3 . 1 1 91 91 SER H H 91 8.979 8.979 8.618 0.361 18954 1294 1 3 . 1 1 92 92 VAL N N 92 120.290 120.290 120.394 -0.104 18954 1295 1 3 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.374 -0.258 18954 1296 1 3 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.812 0.077 18954 1297 1 3 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.409 -5.184 18954 1298 1 3 . 1 1 92 92 VAL H H 92 8.277 8.277 8.290 -0.013 18954 1299 1 3 . 1 1 93 93 ALA N N 93 130.076 130.076 129.253 0.823 18954 1300 1 3 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.457 -0.278 18954 1301 1 3 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.886 -2.693 18954 1302 1 3 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.291 -2.671 18954 1303 1 3 . 1 1 93 93 ALA H H 93 8.521 8.521 8.420 0.101 18954 1304 1 3 . 1 1 94 94 THR N N 94 113.705 113.705 112.262 1.443 18954 1305 1 3 . 1 1 94 94 THR HA H 94 4.190 4.190 4.483 -0.293 18954 1306 1 3 . 1 1 94 94 THR CA C 94 65.409 65.409 63.104 2.305 18954 1307 1 3 . 1 1 94 94 THR CB C 94 67.702 67.702 69.978 -2.276 18954 1308 1 3 . 1 1 94 94 THR H H 94 8.099 8.099 8.465 -0.366 18954 1309 1 4 . 1 1 3 3 ILE N N 3 123.622 123.622 121.547 2.075 18954 1310 1 4 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.368 -0.253 18954 1311 1 4 . 1 1 3 3 ILE CA C 3 58.302 58.302 60.910 -2.608 18954 1312 1 4 . 1 1 3 3 ILE CB C 3 36.212 36.212 40.007 -3.795 18954 1313 1 4 . 1 1 3 3 ILE H H 3 8.271 8.271 7.415 0.856 18954 1314 1 4 . 1 1 4 4 SER N N 4 120.605 120.605 119.874 0.731 18954 1315 1 4 . 1 1 4 4 SER HA H 4 4.368 4.368 4.837 -0.469 18954 1316 1 4 . 1 1 4 4 SER CA C 4 55.796 55.796 57.758 -1.962 18954 1317 1 4 . 1 1 4 4 SER CB C 4 60.945 60.945 64.748 -3.803 18954 1318 1 4 . 1 1 4 4 SER H H 4 8.425 8.425 8.325 0.100 18954 1319 1 4 . 1 1 5 5 GLY N N 5 111.455 111.455 109.654 1.801 18954 1320 1 4 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.519 -1.738 18954 1321 1 4 . 1 1 5 5 GLY H H 5 8.406 8.406 8.479 -0.073 18954 1322 1 4 . 1 1 6 6 ALA N N 6 123.660 123.660 121.479 2.181 18954 1323 1 4 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.669 -0.350 18954 1324 1 4 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.403 -1.509 18954 1325 1 4 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.962 -3.034 18954 1326 1 4 . 1 1 6 6 ALA H H 6 8.103 8.103 8.633 -0.530 18954 1327 1 4 . 1 1 7 7 THR N N 7 113.014 113.014 111.474 1.540 18954 1328 1 4 . 1 1 7 7 THR HA H 7 4.309 4.309 4.385 -0.076 18954 1329 1 4 . 1 1 7 7 THR CA C 7 58.886 58.886 62.875 -3.989 18954 1330 1 4 . 1 1 7 7 THR CB C 7 67.461 67.461 68.373 -0.912 18954 1331 1 4 . 1 1 7 7 THR H H 7 8.108 8.108 8.156 -0.048 18954 1332 1 4 . 1 1 8 8 SER N N 8 118.032 118.032 116.362 1.670 18954 1333 1 4 . 1 1 8 8 SER HA H 8 4.434 4.434 4.631 -0.197 18954 1334 1 4 . 1 1 8 8 SER CA C 8 55.537 55.537 58.258 -2.721 18954 1335 1 4 . 1 1 8 8 SER CB C 8 61.305 61.305 65.660 -4.356 18954 1336 1 4 . 1 1 8 8 SER H H 8 8.222 8.222 7.765 0.457 18954 1337 1 4 . 1 1 9 9 VAL N N 9 121.129 121.129 121.140 -0.011 18954 1338 1 4 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.411 -0.389 18954 1339 1 4 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.522 -2.508 18954 1340 1 4 . 1 1 9 9 VAL CB C 9 30.139 30.139 32.329 -2.190 18954 1341 1 4 . 1 1 9 9 VAL H H 9 8.098 8.098 8.263 -0.165 18954 1342 1 4 . 1 1 10 10 ASP N N 10 123.102 123.102 122.267 0.835 18954 1343 1 4 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.839 -0.336 18954 1344 1 4 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.162 -2.527 18954 1345 1 4 . 1 1 10 10 ASP CB C 10 38.671 38.671 40.814 -2.143 18954 1346 1 4 . 1 1 10 10 ASP H H 10 8.242 8.242 8.076 0.166 18954 1347 1 4 . 1 1 11 11 GLN N N 11 121.449 121.449 120.180 1.269 18954 1348 1 4 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.450 -0.285 18954 1349 1 4 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.570 -1.797 18954 1350 1 4 . 1 1 11 11 GLN CB C 11 26.558 26.558 29.195 -2.637 18954 1351 1 4 . 1 1 11 11 GLN H H 11 8.247 8.247 8.101 0.146 18954 1352 1 4 . 1 1 12 12 ARG N N 12 121.029 121.029 123.488 -2.459 18954 1353 1 4 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.507 -0.280 18954 1354 1 4 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.804 2.830 18954 1355 1 4 . 1 1 12 12 ARG CB C 12 28.284 28.284 30.418 -2.134 18954 1356 1 4 . 1 1 12 12 ARG H H 12 8.215 8.215 8.785 -0.570 18954 1357 1 4 . 1 1 13 13 SER N N 13 121.168 121.168 112.756 8.412 18954 1358 1 4 . 1 1 13 13 SER HA H 13 4.327 4.327 4.601 -0.274 18954 1359 1 4 . 1 1 13 13 SER CA C 13 56.317 56.317 57.502 -1.185 18954 1360 1 4 . 1 1 13 13 SER CB C 13 61.153 61.153 65.294 -4.141 18954 1361 1 4 . 1 1 13 13 SER H H 13 8.483 8.483 7.775 0.708 18954 1362 1 4 . 1 1 14 14 LEU N N 14 115.731 115.731 123.386 -7.655 18954 1363 1 4 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.403 -0.156 18954 1364 1 4 . 1 1 14 14 LEU CA C 14 52.873 52.873 55.990 -3.117 18954 1365 1 4 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.578 -1.889 18954 1366 1 4 . 1 1 14 14 LEU H H 14 8.124 8.124 8.311 -0.187 18954 1367 1 4 . 1 1 15 15 ILE N N 15 119.991 119.991 111.684 8.307 18954 1368 1 4 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.532 -0.535 18954 1369 1 4 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.217 -1.377 18954 1370 1 4 . 1 1 15 15 ILE CB C 15 36.205 36.205 38.192 -1.987 18954 1371 1 4 . 1 1 15 15 ILE H H 15 7.859 7.859 7.526 0.333 18954 1372 1 4 . 1 1 16 16 ASN N N 16 120.780 120.780 122.672 -1.892 18954 1373 1 4 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.467 0.246 18954 1374 1 4 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.154 -1.701 18954 1375 1 4 . 1 1 16 16 ASN H H 16 8.014 8.014 8.230 -0.216 18954 1376 1 4 . 1 1 17 17 SER N N 17 115.640 115.640 111.214 4.426 18954 1377 1 4 . 1 1 17 17 SER HA H 17 4.300 4.300 4.505 -0.205 18954 1378 1 4 . 1 1 17 17 SER CA C 17 56.001 56.001 57.972 -1.971 18954 1379 1 4 . 1 1 17 17 SER CB C 17 60.894 60.894 64.330 -3.436 18954 1380 1 4 . 1 1 17 17 SER H H 17 8.121 8.121 7.733 0.388 18954 1381 1 4 . 1 1 18 18 ASN N N 18 121.876 121.876 120.870 1.006 18954 1382 1 4 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.944 -0.213 18954 1383 1 4 . 1 1 18 18 ASN CB C 18 36.293 36.293 40.129 -3.836 18954 1384 1 4 . 1 1 18 18 ASN H H 18 8.376 8.376 8.039 0.337 18954 1385 1 4 . 1 1 19 19 VAL N N 19 120.480 120.480 120.370 0.110 18954 1386 1 4 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.374 -0.345 18954 1387 1 4 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.441 -1.093 18954 1388 1 4 . 1 1 19 19 VAL CB C 19 29.903 29.903 32.089 -2.186 18954 1389 1 4 . 1 1 19 19 VAL H H 19 8.022 8.022 7.964 0.058 18954 1390 1 4 . 1 1 20 20 GLY N N 20 112.265 112.265 115.023 -2.758 18954 1391 1 4 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.114 -2.417 18954 1392 1 4 . 1 1 20 20 GLY H H 20 8.567 8.567 7.936 0.631 18954 1393 1 4 . 1 1 21 21 PHE N N 21 119.701 119.701 118.725 0.976 18954 1394 1 4 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.582 -0.449 18954 1395 1 4 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.337 -2.979 18954 1396 1 4 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.824 -2.930 18954 1397 1 4 . 1 1 21 21 PHE H H 21 7.917 7.917 8.226 -0.309 18954 1398 1 4 . 1 1 22 22 VAL N N 22 120.733 120.733 119.511 1.222 18954 1399 1 4 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.424 -0.163 18954 1400 1 4 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.595 -2.623 18954 1401 1 4 . 1 1 22 22 VAL CB C 22 33.078 33.078 36.810 -3.732 18954 1402 1 4 . 1 1 22 22 VAL H H 22 9.221 9.221 9.119 0.102 18954 1403 1 4 . 1 1 23 23 THR N N 23 123.388 123.388 121.922 1.466 18954 1404 1 4 . 1 1 23 23 THR HA H 23 4.967 4.967 4.665 0.302 18954 1405 1 4 . 1 1 23 23 THR CA C 23 59.731 59.731 63.384 -3.653 18954 1406 1 4 . 1 1 23 23 THR CB C 23 66.715 66.715 69.173 -2.458 18954 1407 1 4 . 1 1 23 23 THR H H 23 8.403 8.403 8.288 0.115 18954 1408 1 4 . 1 1 24 24 MET N N 24 125.957 125.957 123.094 2.863 18954 1409 1 4 . 1 1 24 24 MET HA H 24 4.702 4.702 5.013 -0.311 18954 1410 1 4 . 1 1 24 24 MET CA C 24 51.056 51.056 54.125 -3.069 18954 1411 1 4 . 1 1 24 24 MET CB C 24 32.115 32.115 35.169 -3.054 18954 1412 1 4 . 1 1 24 24 MET H H 24 9.289 9.289 8.735 0.554 18954 1413 1 4 . 1 1 25 25 ILE N N 25 117.652 117.652 119.934 -2.282 18954 1414 1 4 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.329 0.070 18954 1415 1 4 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.367 -2.608 18954 1416 1 4 . 1 1 25 25 ILE CB C 25 37.870 37.870 38.613 -0.743 18954 1417 1 4 . 1 1 25 25 ILE H H 25 8.572 8.572 8.538 0.034 18954 1418 1 4 . 1 1 26 26 LEU N N 26 130.281 130.281 126.986 3.295 18954 1419 1 4 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.726 0.488 18954 1420 1 4 . 1 1 26 26 LEU CA C 26 50.111 50.111 52.877 -2.766 18954 1421 1 4 . 1 1 26 26 LEU CB C 26 41.363 41.363 45.177 -3.814 18954 1422 1 4 . 1 1 26 26 LEU H H 26 8.901 8.901 8.649 0.252 18954 1423 1 4 . 1 1 27 27 GLN N N 27 125.400 125.400 122.814 2.586 18954 1424 1 4 . 1 1 27 27 GLN HA H 27 4.773 4.773 5.042 -0.269 18954 1425 1 4 . 1 1 27 27 GLN CB C 27 29.511 29.511 33.266 -3.755 18954 1426 1 4 . 1 1 27 27 GLN H H 27 9.330 9.330 8.202 1.128 18954 1427 1 4 . 1 1 28 28 CYS N N 28 124.065 124.065 121.017 3.048 18954 1428 1 4 . 1 1 28 28 CYS HA H 28 5.123 5.123 5.049 0.074 18954 1429 1 4 . 1 1 28 28 CYS CA C 28 53.035 53.035 55.395 -2.361 18954 1430 1 4 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.020 -0.841 18954 1431 1 4 . 1 1 28 28 CYS H H 28 8.585 8.585 8.364 0.221 18954 1432 1 4 . 1 1 29 29 SER N N 29 121.076 121.076 116.773 4.303 18954 1433 1 4 . 1 1 29 29 SER HA H 29 4.160 4.160 4.306 -0.146 18954 1434 1 4 . 1 1 29 29 SER CA C 29 57.073 57.073 60.090 -3.018 18954 1435 1 4 . 1 1 29 29 SER CB C 29 60.725 60.725 63.343 -2.618 18954 1436 1 4 . 1 1 29 29 SER H H 29 8.519 8.519 8.226 0.293 18954 1437 1 4 . 1 1 30 30 ILE N N 30 117.987 117.987 114.444 3.543 18954 1438 1 4 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.407 -0.099 18954 1439 1 4 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.646 -2.065 18954 1440 1 4 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.167 -1.776 18954 1441 1 4 . 1 1 30 30 ILE H H 30 7.343 7.343 6.911 0.432 18954 1442 1 4 . 1 1 31 31 GLU N N 31 119.585 119.585 120.775 -1.190 18954 1443 1 4 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.681 -1.003 18954 1444 1 4 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.570 -2.346 18954 1445 1 4 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.105 -2.744 18954 1446 1 4 . 1 1 31 31 GLU H H 31 7.901 7.901 8.386 -0.485 18954 1447 1 4 . 1 1 32 32 MET N N 32 126.504 126.504 125.453 1.051 18954 1448 1 4 . 1 1 32 32 MET HA H 32 4.297 4.297 4.276 0.021 18954 1449 1 4 . 1 1 32 32 MET CA C 32 50.919 50.919 53.087 -2.168 18954 1450 1 4 . 1 1 32 32 MET CB C 32 32.696 32.696 32.176 0.520 18954 1451 1 4 . 1 1 32 32 MET H H 32 8.406 8.406 7.884 0.522 18954 1452 1 4 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.319 -0.128 18954 1453 1 4 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.143 -2.376 18954 1454 1 4 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.958 -1.932 18954 1455 1 4 . 1 1 34 34 ASN N N 34 107.313 107.313 115.231 -7.918 18954 1456 1 4 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.113 -0.297 18954 1457 1 4 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.990 -2.018 18954 1458 1 4 . 1 1 34 34 ASN CB C 34 38.137 38.137 41.040 -2.903 18954 1459 1 4 . 1 1 34 34 ASN H H 34 7.077 7.077 8.113 -1.036 18954 1460 1 4 . 1 1 35 35 ILE N N 35 122.015 122.015 124.627 -2.612 18954 1461 1 4 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.538 0.405 18954 1462 1 4 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.788 -2.013 18954 1463 1 4 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.309 -1.919 18954 1464 1 4 . 1 1 35 35 ILE H H 35 9.109 9.109 9.198 -0.089 18954 1465 1 4 . 1 1 36 36 SER N N 36 119.851 119.851 116.150 3.701 18954 1466 1 4 . 1 1 36 36 SER HA H 36 4.366 4.366 4.457 -0.091 18954 1467 1 4 . 1 1 36 36 SER CA C 36 59.274 59.274 61.412 -2.138 18954 1468 1 4 . 1 1 36 36 SER CB C 36 59.818 59.818 62.480 -2.662 18954 1469 1 4 . 1 1 36 36 SER H H 36 8.936 8.936 8.481 0.455 18954 1470 1 4 . 1 1 37 37 TYR N N 37 122.338 122.338 121.432 0.906 18954 1471 1 4 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.173 0.030 18954 1472 1 4 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.530 -3.345 18954 1473 1 4 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.353 -1.960 18954 1474 1 4 . 1 1 37 37 TYR H H 37 7.808 7.808 8.274 -0.466 18954 1475 1 4 . 1 1 38 38 ALA N N 38 120.761 120.761 121.772 -1.011 18954 1476 1 4 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.830 0.041 18954 1477 1 4 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.935 -3.138 18954 1478 1 4 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.748 -1.092 18954 1479 1 4 . 1 1 38 38 ALA H H 38 7.364 7.364 7.939 -0.575 18954 1480 1 4 . 1 1 39 39 TRP N N 39 115.813 115.813 118.535 -2.722 18954 1481 1 4 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.086 -0.010 18954 1482 1 4 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.501 -2.771 18954 1483 1 4 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.155 -1.443 18954 1484 1 4 . 1 1 39 39 TRP H H 39 7.134 7.134 7.988 -0.854 18954 1485 1 4 . 1 1 40 40 LYS N N 40 117.209 117.209 118.282 -1.073 18954 1486 1 4 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.867 -0.018 18954 1487 1 4 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.594 -3.611 18954 1488 1 4 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.165 -2.176 18954 1489 1 4 . 1 1 40 40 LYS H H 40 8.091 8.091 8.430 -0.339 18954 1490 1 4 . 1 1 41 41 GLU N N 41 119.521 119.521 119.774 -0.253 18954 1491 1 4 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.914 0.040 18954 1492 1 4 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.229 -3.327 18954 1493 1 4 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.823 -2.901 18954 1494 1 4 . 1 1 41 41 GLU H H 41 6.674 6.674 7.603 -0.929 18954 1495 1 4 . 1 1 42 42 LEU N N 42 117.269 117.269 120.180 -2.911 18954 1496 1 4 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.236 -0.349 18954 1497 1 4 . 1 1 42 42 LEU CA C 42 55.840 55.840 57.774 -1.934 18954 1498 1 4 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.153 -1.315 18954 1499 1 4 . 1 1 42 42 LEU H H 42 7.866 7.866 8.541 -0.675 18954 1500 1 4 . 1 1 43 43 LYS N N 43 117.633 117.633 119.818 -2.185 18954 1501 1 4 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.253 -0.284 18954 1502 1 4 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.616 -3.609 18954 1503 1 4 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.181 -2.089 18954 1504 1 4 . 1 1 43 43 LYS H H 43 8.458 8.458 8.264 0.194 18954 1505 1 4 . 1 1 44 44 GLU N N 44 120.906 120.906 117.056 3.850 18954 1506 1 4 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.067 -0.224 18954 1507 1 4 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.591 -1.636 18954 1508 1 4 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.605 -2.750 18954 1509 1 4 . 1 1 44 44 GLU H H 44 8.013 8.013 7.979 0.034 18954 1510 1 4 . 1 1 45 45 GLN N N 45 113.584 113.584 117.476 -3.892 18954 1511 1 4 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.307 -0.169 18954 1512 1 4 . 1 1 45 45 GLN CA C 45 58.177 58.177 56.704 1.473 18954 1513 1 4 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.858 -2.322 18954 1514 1 4 . 1 1 45 45 GLN H H 45 7.665 7.665 7.539 0.126 18954 1515 1 4 . 1 1 46 46 LEU N N 46 114.594 114.594 117.930 -3.336 18954 1516 1 4 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.207 0.263 18954 1517 1 4 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.899 -2.970 18954 1518 1 4 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.221 -2.586 18954 1519 1 4 . 1 1 46 46 LEU H H 46 8.652 8.652 8.236 0.416 18954 1520 1 4 . 1 1 47 47 GLY N N 47 110.084 110.084 106.677 3.407 18954 1521 1 4 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.312 -2.474 18954 1522 1 4 . 1 1 47 47 GLY H H 47 7.642 7.642 7.439 0.203 18954 1523 1 4 . 1 1 48 48 GLU N N 48 118.535 118.535 119.800 -1.265 18954 1524 1 4 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.160 -0.448 18954 1525 1 4 . 1 1 48 48 GLU CA C 48 56.422 56.422 57.867 -1.445 18954 1526 1 4 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.845 -2.380 18954 1527 1 4 . 1 1 48 48 GLU H H 48 8.348 8.348 8.748 -0.400 18954 1528 1 4 . 1 1 49 49 GLU N N 49 114.460 114.460 117.975 -3.515 18954 1529 1 4 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.462 -0.089 18954 1530 1 4 . 1 1 49 49 GLU CA C 49 54.413 54.413 55.531 -1.118 18954 1531 1 4 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.954 -2.993 18954 1532 1 4 . 1 1 49 49 GLU H H 49 8.498 8.498 8.314 0.184 18954 1533 1 4 . 1 1 50 50 ILE N N 50 121.524 121.524 120.550 0.974 18954 1534 1 4 . 1 1 50 50 ILE HA H 50 4.102 4.102 4.182 -0.080 18954 1535 1 4 . 1 1 50 50 ILE CA C 50 57.703 57.703 61.117 -3.414 18954 1536 1 4 . 1 1 50 50 ILE CB C 50 35.737 35.737 39.804 -4.067 18954 1537 1 4 . 1 1 50 50 ILE H H 50 7.617 7.617 7.794 -0.177 18954 1538 1 4 . 1 1 51 51 ASP N N 51 119.881 119.881 122.163 -2.282 18954 1539 1 4 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.326 -0.026 18954 1540 1 4 . 1 1 51 51 ASP CA C 51 53.532 53.532 57.521 -3.989 18954 1541 1 4 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.155 -1.957 18954 1542 1 4 . 1 1 51 51 ASP H H 51 7.926 7.926 8.604 -0.678 18954 1543 1 4 . 1 1 52 52 SER N N 52 113.164 113.164 113.952 -0.788 18954 1544 1 4 . 1 1 52 52 SER HA H 52 4.403 4.403 4.222 0.181 18954 1545 1 4 . 1 1 52 52 SER CA C 52 56.968 56.968 60.390 -3.422 18954 1546 1 4 . 1 1 52 52 SER CB C 52 61.183 61.183 62.948 -1.765 18954 1547 1 4 . 1 1 52 52 SER H H 52 7.888 7.888 8.224 -0.336 18954 1548 1 4 . 1 1 53 53 LYS N N 53 120.411 120.411 118.313 2.098 18954 1549 1 4 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.225 0.229 18954 1550 1 4 . 1 1 53 53 LYS CA C 53 53.813 53.813 57.176 -3.363 18954 1551 1 4 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.869 -0.510 18954 1552 1 4 . 1 1 53 53 LYS H H 53 7.714 7.714 7.661 0.053 18954 1553 1 4 . 1 1 54 54 VAL N N 54 116.701 116.701 118.836 -2.135 18954 1554 1 4 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.091 0.376 18954 1555 1 4 . 1 1 54 54 VAL CA C 54 59.565 59.565 62.287 -2.722 18954 1556 1 4 . 1 1 54 54 VAL CB C 54 30.833 30.833 32.900 -2.067 18954 1557 1 4 . 1 1 54 54 VAL H H 54 7.041 7.041 7.545 -0.504 18954 1558 1 4 . 1 1 55 55 LYS N N 55 125.891 125.891 122.455 3.436 18954 1559 1 4 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.411 0.337 18954 1560 1 4 . 1 1 55 55 LYS CA C 55 51.602 51.602 56.234 -4.632 18954 1561 1 4 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.181 0.107 18954 1562 1 4 . 1 1 55 55 LYS H H 55 9.138 9.138 8.599 0.539 18954 1563 1 4 . 1 1 56 56 GLY N N 56 109.312 109.312 107.975 1.337 18954 1564 1 4 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.630 0.086 18954 1565 1 4 . 1 1 56 56 GLY H H 56 8.489 8.489 8.147 0.342 18954 1566 1 4 . 1 1 57 57 MET N N 57 118.391 118.391 122.529 -4.138 18954 1567 1 4 . 1 1 57 57 MET HA H 57 4.930 4.930 4.573 0.357 18954 1568 1 4 . 1 1 57 57 MET CA C 57 53.906 53.906 57.038 -3.132 18954 1569 1 4 . 1 1 57 57 MET CB C 57 30.841 30.841 33.199 -2.358 18954 1570 1 4 . 1 1 57 57 MET H H 57 8.039 8.039 8.093 -0.054 18954 1571 1 4 . 1 1 58 58 VAL N N 58 124.257 124.257 118.938 5.319 18954 1572 1 4 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.633 -0.184 18954 1573 1 4 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.095 -2.045 18954 1574 1 4 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.374 -0.518 18954 1575 1 4 . 1 1 58 58 VAL H H 58 8.780 8.780 8.713 0.067 18954 1576 1 4 . 1 1 59 59 PHE N N 59 120.512 120.512 119.528 0.984 18954 1577 1 4 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.521 0.454 18954 1578 1 4 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.305 -2.741 18954 1579 1 4 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.808 -2.118 18954 1580 1 4 . 1 1 59 59 PHE H H 59 8.432 8.432 8.400 0.032 18954 1581 1 4 . 1 1 60 60 LEU N N 60 120.934 120.934 121.511 -0.577 18954 1582 1 4 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.683 -0.307 18954 1583 1 4 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.778 -2.551 18954 1584 1 4 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.361 -2.836 18954 1585 1 4 . 1 1 60 60 LEU H H 60 8.291 8.291 8.341 -0.050 18954 1586 1 4 . 1 1 61 61 LYS N N 61 122.117 122.117 122.036 0.081 18954 1587 1 4 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.083 -0.102 18954 1588 1 4 . 1 1 61 61 LYS CA C 61 55.543 55.543 58.305 -2.762 18954 1589 1 4 . 1 1 61 61 LYS CB C 61 29.642 29.642 31.814 -2.172 18954 1590 1 4 . 1 1 61 61 LYS H H 61 8.371 8.371 8.917 -0.546 18954 1591 1 4 . 1 1 62 62 GLY N N 62 114.590 114.590 106.466 8.124 18954 1592 1 4 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.327 -1.355 18954 1593 1 4 . 1 1 62 62 GLY H H 62 8.870 8.870 8.121 0.749 18954 1594 1 4 . 1 1 63 63 LYS N N 63 111.406 111.406 117.721 -6.315 18954 1595 1 4 . 1 1 63 63 LYS H H 63 8.129 8.129 7.929 0.200 18954 1596 1 4 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.882 -0.416 18954 1597 1 4 . 1 1 64 64 LEU CA C 64 52.271 52.271 53.962 -1.690 18954 1598 1 4 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.662 -4.206 18954 1599 1 4 . 1 1 65 65 GLY N N 65 105.164 105.164 105.567 -0.403 18954 1600 1 4 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.424 -2.832 18954 1601 1 4 . 1 1 65 65 GLY H H 65 7.375 7.375 7.504 -0.129 18954 1602 1 4 . 1 1 66 66 VAL N N 66 111.490 111.490 113.340 -1.850 18954 1603 1 4 . 1 1 66 66 VAL HA H 66 5.391 5.391 5.017 0.374 18954 1604 1 4 . 1 1 66 66 VAL CA C 66 56.267 56.267 58.964 -2.697 18954 1605 1 4 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.446 -1.395 18954 1606 1 4 . 1 1 66 66 VAL H H 66 9.127 9.127 8.358 0.769 18954 1607 1 4 . 1 1 67 67 CYS N N 67 116.847 116.847 115.641 1.206 18954 1608 1 4 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.506 -0.012 18954 1609 1 4 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.910 -3.040 18954 1610 1 4 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.916 -3.432 18954 1611 1 4 . 1 1 67 67 CYS H H 67 8.914 8.914 8.656 0.258 18954 1612 1 4 . 1 1 68 68 PHE N N 68 116.013 116.013 115.192 0.821 18954 1613 1 4 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.837 -0.197 18954 1614 1 4 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.519 -2.883 18954 1615 1 4 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.889 -3.925 18954 1616 1 4 . 1 1 68 68 PHE H H 68 8.118 8.118 8.267 -0.149 18954 1617 1 4 . 1 1 69 69 ASP N N 69 119.562 119.562 121.241 -1.679 18954 1618 1 4 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.684 0.053 18954 1619 1 4 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.770 -4.607 18954 1620 1 4 . 1 1 69 69 ASP CB C 69 40.589 40.589 42.669 -2.079 18954 1621 1 4 . 1 1 69 69 ASP H H 69 8.999 8.999 8.565 0.434 18954 1622 1 4 . 1 1 70 70 VAL N N 70 114.283 114.283 115.485 -1.202 18954 1623 1 4 . 1 1 70 70 VAL HA H 70 5.334 5.334 5.057 0.277 18954 1624 1 4 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.874 -2.910 18954 1625 1 4 . 1 1 70 70 VAL CB C 70 31.536 31.536 35.117 -3.581 18954 1626 1 4 . 1 1 70 70 VAL H H 70 8.913 8.913 9.035 -0.122 18954 1627 1 4 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.333 0.894 18954 1628 1 4 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.645 -1.807 18954 1629 1 4 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.386 -1.913 18954 1630 1 4 . 1 1 72 72 THR N N 72 121.039 121.039 121.319 -0.280 18954 1631 1 4 . 1 1 72 72 THR HA H 72 3.597 3.597 3.827 -0.230 18954 1632 1 4 . 1 1 72 72 THR CA C 72 63.671 63.671 66.510 -2.839 18954 1633 1 4 . 1 1 72 72 THR CB C 72 65.826 65.826 68.126 -2.300 18954 1634 1 4 . 1 1 72 72 THR H H 72 8.235 8.235 8.271 -0.036 18954 1635 1 4 . 1 1 73 73 ALA N N 73 120.196 120.196 123.266 -3.070 18954 1636 1 4 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.088 0.055 18954 1637 1 4 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.066 -2.595 18954 1638 1 4 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.106 -2.011 18954 1639 1 4 . 1 1 73 73 ALA H H 73 8.466 8.466 8.460 0.006 18954 1640 1 4 . 1 1 74 74 SER N N 74 112.214 112.214 111.698 0.516 18954 1641 1 4 . 1 1 74 74 SER HA H 74 4.552 4.552 4.643 -0.091 18954 1642 1 4 . 1 1 74 74 SER CA C 74 57.492 57.492 58.792 -1.300 18954 1643 1 4 . 1 1 74 74 SER CB C 74 62.101 62.101 64.100 -1.999 18954 1644 1 4 . 1 1 74 74 SER H H 74 8.019 8.019 7.761 0.258 18954 1645 1 4 . 1 1 75 75 VAL N N 75 121.652 121.652 122.882 -1.230 18954 1646 1 4 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.687 -0.432 18954 1647 1 4 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.776 -1.769 18954 1648 1 4 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.620 -2.270 18954 1649 1 4 . 1 1 75 75 VAL H H 75 7.222 7.222 7.336 -0.114 18954 1650 1 4 . 1 1 76 76 THR N N 76 113.812 113.812 114.331 -0.519 18954 1651 1 4 . 1 1 76 76 THR HA H 76 3.963 3.963 3.950 0.013 18954 1652 1 4 . 1 1 76 76 THR CA C 76 63.804 63.804 67.433 -3.628 18954 1653 1 4 . 1 1 76 76 THR CB C 76 65.567 65.567 68.150 -2.583 18954 1654 1 4 . 1 1 76 76 THR H H 76 8.107 8.107 8.324 -0.217 18954 1655 1 4 . 1 1 77 77 GLU N N 77 121.634 121.634 122.397 -0.763 18954 1656 1 4 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.007 0.026 18954 1657 1 4 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.341 -2.985 18954 1658 1 4 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.406 -2.374 18954 1659 1 4 . 1 1 77 77 GLU H H 77 7.737 7.737 8.162 -0.425 18954 1660 1 4 . 1 1 78 78 ILE N N 78 119.383 119.383 120.070 -0.687 18954 1661 1 4 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.622 -0.011 18954 1662 1 4 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.182 -2.093 18954 1663 1 4 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.921 -2.305 18954 1664 1 4 . 1 1 78 78 ILE H H 78 7.694 7.694 7.678 0.016 18954 1665 1 4 . 1 1 79 79 GLN N N 79 116.015 116.015 117.553 -1.538 18954 1666 1 4 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.050 -0.122 18954 1667 1 4 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.583 -1.915 18954 1668 1 4 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.598 -2.191 18954 1669 1 4 . 1 1 79 79 GLN H H 79 8.319 8.319 7.744 0.575 18954 1670 1 4 . 1 1 80 80 GLU N N 80 116.824 116.824 116.424 0.400 18954 1671 1 4 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.185 -0.118 18954 1672 1 4 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.221 -2.630 18954 1673 1 4 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.862 -2.433 18954 1674 1 4 . 1 1 80 80 GLU H H 80 7.884 7.884 7.737 0.147 18954 1675 1 4 . 1 1 81 81 LYS N N 81 118.113 118.113 116.918 1.195 18954 1676 1 4 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.393 -0.199 18954 1677 1 4 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.872 -1.029 18954 1678 1 4 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.761 -0.986 18954 1679 1 4 . 1 1 81 81 LYS H H 81 7.396 7.396 7.821 -0.425 18954 1680 1 4 . 1 1 82 82 TRP N N 82 119.572 119.572 122.108 -2.536 18954 1681 1 4 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.294 -0.182 18954 1682 1 4 . 1 1 82 82 TRP CA C 82 55.919 55.919 58.430 -2.511 18954 1683 1 4 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.165 -2.712 18954 1684 1 4 . 1 1 82 82 TRP H H 82 7.966 7.966 7.849 0.117 18954 1685 1 4 . 1 1 83 83 HIS N N 83 126.139 126.139 118.965 7.174 18954 1686 1 4 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.712 -0.048 18954 1687 1 4 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.148 -2.493 18954 1688 1 4 . 1 1 83 83 HIS CB C 83 28.017 28.017 33.358 -5.341 18954 1689 1 4 . 1 1 83 83 HIS H H 83 8.566 8.566 7.057 1.509 18954 1690 1 4 . 1 1 84 84 ASP N N 84 125.751 125.751 124.875 0.876 18954 1691 1 4 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.903 0.096 18954 1692 1 4 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.879 -3.260 18954 1693 1 4 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.546 -1.805 18954 1694 1 4 . 1 1 84 84 ASP H H 84 8.913 8.913 8.718 0.195 18954 1695 1 4 . 1 1 85 85 SER N N 85 116.332 116.332 118.434 -2.102 18954 1696 1 4 . 1 1 85 85 SER HA H 85 4.924 4.924 4.839 0.085 18954 1697 1 4 . 1 1 85 85 SER CA C 85 53.657 53.657 56.819 -3.162 18954 1698 1 4 . 1 1 85 85 SER CB C 85 64.982 64.982 65.109 -0.127 18954 1699 1 4 . 1 1 85 85 SER H H 85 9.621 9.621 8.300 1.321 18954 1700 1 4 . 1 1 86 86 ARG N N 86 118.680 118.680 124.007 -5.327 18954 1701 1 4 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.164 -0.106 18954 1702 1 4 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.563 -2.716 18954 1703 1 4 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.251 -3.119 18954 1704 1 4 . 1 1 86 86 ARG H H 86 8.695 8.695 8.844 -0.149 18954 1705 1 4 . 1 1 87 87 ARG N N 87 117.323 117.323 117.421 -0.098 18954 1706 1 4 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.470 -0.194 18954 1707 1 4 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.912 -1.923 18954 1708 1 4 . 1 1 87 87 ARG CB C 87 29.582 29.582 31.937 -2.355 18954 1709 1 4 . 1 1 87 87 ARG H H 87 7.710 7.710 8.032 -0.322 18954 1710 1 4 . 1 1 88 88 TRP N N 88 115.976 115.976 121.059 -5.083 18954 1711 1 4 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.435 0.442 18954 1712 1 4 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.582 -4.171 18954 1713 1 4 . 1 1 88 88 TRP CB C 88 32.110 32.110 31.587 0.523 18954 1714 1 4 . 1 1 88 88 TRP H H 88 7.374 7.374 8.660 -1.286 18954 1715 1 4 . 1 1 89 89 GLN N N 89 118.426 118.426 122.011 -3.585 18954 1716 1 4 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.485 0.042 18954 1717 1 4 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.098 -2.433 18954 1718 1 4 . 1 1 89 89 GLN CB C 89 29.926 29.926 31.635 -1.709 18954 1719 1 4 . 1 1 89 89 GLN H H 89 8.803 8.803 8.452 0.351 18954 1720 1 4 . 1 1 90 90 LEU N N 90 127.680 127.680 122.935 4.745 18954 1721 1 4 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.744 0.485 18954 1722 1 4 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.541 -2.695 18954 1723 1 4 . 1 1 90 90 LEU CB C 90 39.965 39.965 43.356 -3.391 18954 1724 1 4 . 1 1 90 90 LEU H H 90 8.518 8.518 8.788 -0.270 18954 1725 1 4 . 1 1 91 91 SER N N 91 121.513 121.513 112.548 8.965 18954 1726 1 4 . 1 1 91 91 SER HA H 91 4.639 4.639 4.609 0.030 18954 1727 1 4 . 1 1 91 91 SER CA C 91 54.241 54.241 58.210 -3.969 18954 1728 1 4 . 1 1 91 91 SER CB C 91 63.274 63.274 65.637 -2.363 18954 1729 1 4 . 1 1 91 91 SER H H 91 8.979 8.979 8.105 0.874 18954 1730 1 4 . 1 1 92 92 VAL N N 92 120.290 120.290 120.963 -0.673 18954 1731 1 4 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.124 -0.008 18954 1732 1 4 . 1 1 92 92 VAL CA C 92 59.889 59.889 60.779 -0.890 18954 1733 1 4 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.927 -5.702 18954 1734 1 4 . 1 1 92 92 VAL H H 92 8.277 8.277 8.570 -0.293 18954 1735 1 4 . 1 1 93 93 ALA N N 93 130.076 130.076 129.297 0.779 18954 1736 1 4 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.283 -0.104 18954 1737 1 4 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.651 -2.458 18954 1738 1 4 . 1 1 93 93 ALA CB C 93 16.620 16.620 18.607 -1.987 18954 1739 1 4 . 1 1 93 93 ALA H H 93 8.521 8.521 8.653 -0.132 18954 1740 1 4 . 1 1 94 94 THR N N 94 113.705 113.705 120.116 -6.411 18954 1741 1 4 . 1 1 94 94 THR HA H 94 4.190 4.190 4.035 0.155 18954 1742 1 4 . 1 1 94 94 THR CA C 94 65.409 65.409 63.273 2.136 18954 1743 1 4 . 1 1 94 94 THR CB C 94 67.702 67.702 68.893 -1.191 18954 1744 1 4 . 1 1 94 94 THR H H 94 8.099 8.099 8.647 -0.548 18954 1745 1 5 . 1 1 3 3 ILE N N 3 123.622 123.622 120.110 3.512 18954 1746 1 5 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.573 -0.458 18954 1747 1 5 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.124 -2.822 18954 1748 1 5 . 1 1 3 3 ILE CB C 3 36.212 36.212 36.682 -0.470 18954 1749 1 5 . 1 1 3 3 ILE H H 3 8.271 8.271 8.485 -0.214 18954 1750 1 5 . 1 1 4 4 SER N N 4 120.605 120.605 119.150 1.455 18954 1751 1 5 . 1 1 4 4 SER HA H 4 4.368 4.368 4.668 -0.300 18954 1752 1 5 . 1 1 4 4 SER CA C 4 55.796 55.796 57.538 -1.742 18954 1753 1 5 . 1 1 4 4 SER CB C 4 60.945 60.945 65.497 -4.552 18954 1754 1 5 . 1 1 4 4 SER H H 4 8.425 8.425 8.070 0.355 18954 1755 1 5 . 1 1 5 5 GLY N N 5 111.455 111.455 108.322 3.133 18954 1756 1 5 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.615 -1.834 18954 1757 1 5 . 1 1 5 5 GLY H H 5 8.406 8.406 8.482 -0.076 18954 1758 1 5 . 1 1 6 6 ALA N N 6 123.660 123.660 123.076 0.584 18954 1759 1 5 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.634 -0.315 18954 1760 1 5 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.023 -2.128 18954 1761 1 5 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.257 -2.329 18954 1762 1 5 . 1 1 6 6 ALA H H 6 8.103 8.103 7.780 0.323 18954 1763 1 5 . 1 1 7 7 THR N N 7 113.014 113.014 112.038 0.976 18954 1764 1 5 . 1 1 7 7 THR HA H 7 4.309 4.309 4.454 -0.145 18954 1765 1 5 . 1 1 7 7 THR CA C 7 58.886 58.886 61.278 -2.392 18954 1766 1 5 . 1 1 7 7 THR CB C 7 67.461 67.461 70.872 -3.411 18954 1767 1 5 . 1 1 7 7 THR H H 7 8.108 8.108 7.409 0.699 18954 1768 1 5 . 1 1 8 8 SER N N 8 118.032 118.032 118.393 -0.361 18954 1769 1 5 . 1 1 8 8 SER HA H 8 4.434 4.434 4.742 -0.308 18954 1770 1 5 . 1 1 8 8 SER CA C 8 55.537 55.537 57.853 -2.317 18954 1771 1 5 . 1 1 8 8 SER CB C 8 61.305 61.305 65.235 -3.930 18954 1772 1 5 . 1 1 8 8 SER H H 8 8.222 8.222 8.344 -0.122 18954 1773 1 5 . 1 1 9 9 VAL N N 9 121.129 121.129 121.431 -0.302 18954 1774 1 5 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.423 -0.401 18954 1775 1 5 . 1 1 9 9 VAL CA C 9 60.014 60.014 63.623 -3.609 18954 1776 1 5 . 1 1 9 9 VAL CB C 9 30.139 30.139 32.479 -2.340 18954 1777 1 5 . 1 1 9 9 VAL H H 9 8.098 8.098 8.325 -0.227 18954 1778 1 5 . 1 1 10 10 ASP N N 10 123.102 123.102 125.064 -1.962 18954 1779 1 5 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.931 -0.428 18954 1780 1 5 . 1 1 10 10 ASP CA C 10 51.635 51.635 53.967 -2.332 18954 1781 1 5 . 1 1 10 10 ASP CB C 10 38.671 38.671 42.044 -3.373 18954 1782 1 5 . 1 1 10 10 ASP H H 10 8.242 8.242 8.270 -0.028 18954 1783 1 5 . 1 1 11 11 GLN N N 11 121.449 121.449 120.689 0.760 18954 1784 1 5 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.823 -0.658 18954 1785 1 5 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.125 -1.352 18954 1786 1 5 . 1 1 11 11 GLN CB C 11 26.558 26.558 31.638 -5.080 18954 1787 1 5 . 1 1 11 11 GLN H H 11 8.247 8.247 8.237 0.010 18954 1788 1 5 . 1 1 12 12 ARG N N 12 121.029 121.029 119.179 1.850 18954 1789 1 5 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.637 -0.410 18954 1790 1 5 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.260 3.374 18954 1791 1 5 . 1 1 12 12 ARG CB C 12 28.284 28.284 32.446 -4.162 18954 1792 1 5 . 1 1 12 12 ARG H H 12 8.215 8.215 9.275 -1.060 18954 1793 1 5 . 1 1 13 13 SER N N 13 121.168 121.168 113.195 7.973 18954 1794 1 5 . 1 1 13 13 SER HA H 13 4.327 4.327 4.686 -0.359 18954 1795 1 5 . 1 1 13 13 SER CA C 13 56.317 56.317 57.372 -1.055 18954 1796 1 5 . 1 1 13 13 SER CB C 13 61.153 61.153 64.572 -3.419 18954 1797 1 5 . 1 1 13 13 SER H H 13 8.483 8.483 7.782 0.702 18954 1798 1 5 . 1 1 14 14 LEU N N 14 115.731 115.731 121.872 -6.141 18954 1799 1 5 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.350 -0.103 18954 1800 1 5 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.367 -3.494 18954 1801 1 5 . 1 1 14 14 LEU CB C 14 39.689 39.689 42.111 -2.422 18954 1802 1 5 . 1 1 14 14 LEU H H 14 8.124 8.124 8.430 -0.306 18954 1803 1 5 . 1 1 15 15 ILE N N 15 119.991 119.991 112.853 7.138 18954 1804 1 5 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.404 -0.407 18954 1805 1 5 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.275 -1.435 18954 1806 1 5 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.630 -1.425 18954 1807 1 5 . 1 1 15 15 ILE H H 15 7.859 7.859 7.405 0.454 18954 1808 1 5 . 1 1 16 16 ASN N N 16 120.780 120.780 123.809 -3.029 18954 1809 1 5 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.500 0.213 18954 1810 1 5 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.858 -2.405 18954 1811 1 5 . 1 1 16 16 ASN H H 16 8.014 8.014 8.555 -0.541 18954 1812 1 5 . 1 1 17 17 SER N N 17 115.640 115.640 110.207 5.433 18954 1813 1 5 . 1 1 17 17 SER HA H 17 4.300 4.300 4.590 -0.290 18954 1814 1 5 . 1 1 17 17 SER CA C 17 56.001 56.001 57.718 -1.717 18954 1815 1 5 . 1 1 17 17 SER CB C 17 60.894 60.894 63.366 -2.472 18954 1816 1 5 . 1 1 17 17 SER H H 17 8.121 8.121 7.853 0.268 18954 1817 1 5 . 1 1 18 18 ASN N N 18 121.876 121.876 122.379 -0.503 18954 1818 1 5 . 1 1 18 18 ASN HA H 18 4.731 4.731 5.000 -0.269 18954 1819 1 5 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.317 -3.024 18954 1820 1 5 . 1 1 18 18 ASN H H 18 8.376 8.376 8.569 -0.193 18954 1821 1 5 . 1 1 19 19 VAL N N 19 120.480 120.480 119.690 0.790 18954 1822 1 5 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.456 -0.427 18954 1823 1 5 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.931 -1.583 18954 1824 1 5 . 1 1 19 19 VAL CB C 19 29.903 29.903 33.073 -3.170 18954 1825 1 5 . 1 1 19 19 VAL H H 19 8.022 8.022 7.818 0.204 18954 1826 1 5 . 1 1 20 20 GLY N N 20 112.265 112.265 109.039 3.226 18954 1827 1 5 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.356 -2.658 18954 1828 1 5 . 1 1 20 20 GLY H H 20 8.567 8.567 8.147 0.420 18954 1829 1 5 . 1 1 21 21 PHE N N 21 119.701 119.701 125.171 -5.470 18954 1830 1 5 . 1 1 21 21 PHE HA H 21 5.133 5.133 4.901 0.232 18954 1831 1 5 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.150 -2.792 18954 1832 1 5 . 1 1 21 21 PHE CB C 21 40.894 40.894 40.531 0.363 18954 1833 1 5 . 1 1 21 21 PHE H H 21 7.917 7.917 8.820 -0.903 18954 1834 1 5 . 1 1 22 22 VAL N N 22 120.733 120.733 120.455 0.278 18954 1835 1 5 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.531 -0.270 18954 1836 1 5 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.051 -2.079 18954 1837 1 5 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.820 -2.742 18954 1838 1 5 . 1 1 22 22 VAL H H 22 9.221 9.221 9.084 0.137 18954 1839 1 5 . 1 1 23 23 THR N N 23 123.388 123.388 122.646 0.742 18954 1840 1 5 . 1 1 23 23 THR HA H 23 4.967 4.967 4.698 0.269 18954 1841 1 5 . 1 1 23 23 THR CA C 23 59.731 59.731 63.612 -3.881 18954 1842 1 5 . 1 1 23 23 THR CB C 23 66.715 66.715 69.548 -2.833 18954 1843 1 5 . 1 1 23 23 THR H H 23 8.403 8.403 8.612 -0.209 18954 1844 1 5 . 1 1 24 24 MET N N 24 125.957 125.957 121.589 4.368 18954 1845 1 5 . 1 1 24 24 MET HA H 24 4.702 4.702 5.104 -0.402 18954 1846 1 5 . 1 1 24 24 MET CA C 24 51.056 51.056 54.090 -3.034 18954 1847 1 5 . 1 1 24 24 MET CB C 24 32.115 32.115 36.522 -4.407 18954 1848 1 5 . 1 1 24 24 MET H H 24 9.289 9.289 8.953 0.336 18954 1849 1 5 . 1 1 25 25 ILE N N 25 117.652 117.652 118.464 -0.812 18954 1850 1 5 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.436 -0.037 18954 1851 1 5 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.118 -2.359 18954 1852 1 5 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.292 -2.422 18954 1853 1 5 . 1 1 25 25 ILE H H 25 8.572 8.572 8.365 0.207 18954 1854 1 5 . 1 1 26 26 LEU N N 26 130.281 130.281 125.206 5.075 18954 1855 1 5 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.696 0.518 18954 1856 1 5 . 1 1 26 26 LEU CA C 26 50.111 50.111 52.910 -2.799 18954 1857 1 5 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.861 -3.498 18954 1858 1 5 . 1 1 26 26 LEU H H 26 8.901 8.901 8.888 0.013 18954 1859 1 5 . 1 1 27 27 GLN N N 27 125.400 125.400 123.255 2.145 18954 1860 1 5 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.800 -0.027 18954 1861 1 5 . 1 1 27 27 GLN CB C 27 29.511 29.511 32.766 -3.255 18954 1862 1 5 . 1 1 27 27 GLN H H 27 9.330 9.330 8.873 0.457 18954 1863 1 5 . 1 1 28 28 CYS N N 28 124.065 124.065 120.381 3.684 18954 1864 1 5 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.887 0.236 18954 1865 1 5 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.373 -3.338 18954 1866 1 5 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.975 -0.796 18954 1867 1 5 . 1 1 28 28 CYS H H 28 8.585 8.585 8.082 0.503 18954 1868 1 5 . 1 1 29 29 SER N N 29 121.076 121.076 117.296 3.780 18954 1869 1 5 . 1 1 29 29 SER HA H 29 4.160 4.160 4.578 -0.418 18954 1870 1 5 . 1 1 29 29 SER CA C 29 57.073 57.073 57.841 -0.768 18954 1871 1 5 . 1 1 29 29 SER CB C 29 60.725 60.725 62.526 -1.802 18954 1872 1 5 . 1 1 29 29 SER H H 29 8.519 8.519 8.374 0.145 18954 1873 1 5 . 1 1 30 30 ILE N N 30 117.987 117.987 114.981 3.006 18954 1874 1 5 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.325 -0.017 18954 1875 1 5 . 1 1 30 30 ILE CA C 30 56.581 56.581 59.516 -2.935 18954 1876 1 5 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.239 -1.848 18954 1877 1 5 . 1 1 30 30 ILE H H 30 7.343 7.343 7.021 0.322 18954 1878 1 5 . 1 1 31 31 GLU N N 31 119.585 119.585 123.176 -3.591 18954 1879 1 5 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.226 -0.548 18954 1880 1 5 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.846 -2.623 18954 1881 1 5 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.104 -2.743 18954 1882 1 5 . 1 1 31 31 GLU H H 31 7.901 7.901 8.382 -0.481 18954 1883 1 5 . 1 1 32 32 MET N N 32 126.504 126.504 125.318 1.186 18954 1884 1 5 . 1 1 32 32 MET HA H 32 4.297 4.297 4.702 -0.405 18954 1885 1 5 . 1 1 32 32 MET CA C 32 50.919 50.919 52.924 -2.005 18954 1886 1 5 . 1 1 32 32 MET CB C 32 32.696 32.696 32.499 0.197 18954 1887 1 5 . 1 1 32 32 MET H H 32 8.406 8.406 8.706 -0.300 18954 1888 1 5 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.336 -0.145 18954 1889 1 5 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.002 -2.235 18954 1890 1 5 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.946 -1.920 18954 1891 1 5 . 1 1 34 34 ASN N N 34 107.313 107.313 115.936 -8.623 18954 1892 1 5 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.054 -0.238 18954 1893 1 5 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.956 -1.984 18954 1894 1 5 . 1 1 34 34 ASN CB C 34 38.137 38.137 41.020 -2.882 18954 1895 1 5 . 1 1 34 34 ASN H H 34 7.077 7.077 8.177 -1.100 18954 1896 1 5 . 1 1 35 35 ILE N N 35 122.015 122.015 124.618 -2.603 18954 1897 1 5 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.720 0.223 18954 1898 1 5 . 1 1 35 35 ILE CA C 35 61.775 61.775 64.257 -2.482 18954 1899 1 5 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.456 -2.066 18954 1900 1 5 . 1 1 35 35 ILE H H 35 9.109 9.109 9.220 -0.111 18954 1901 1 5 . 1 1 36 36 SER N N 36 119.851 119.851 115.074 4.777 18954 1902 1 5 . 1 1 36 36 SER HA H 36 4.366 4.366 4.564 -0.198 18954 1903 1 5 . 1 1 36 36 SER CA C 36 59.274 59.274 61.374 -2.100 18954 1904 1 5 . 1 1 36 36 SER CB C 36 59.818 59.818 62.228 -2.410 18954 1905 1 5 . 1 1 36 36 SER H H 36 8.936 8.936 8.407 0.529 18954 1906 1 5 . 1 1 37 37 TYR N N 37 122.338 122.338 122.668 -0.330 18954 1907 1 5 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.220 -0.017 18954 1908 1 5 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.770 -3.585 18954 1909 1 5 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.139 -1.746 18954 1910 1 5 . 1 1 37 37 TYR H H 37 7.808 7.808 8.377 -0.569 18954 1911 1 5 . 1 1 38 38 ALA N N 38 120.761 120.761 122.015 -1.254 18954 1912 1 5 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.949 -0.078 18954 1913 1 5 . 1 1 38 38 ALA CA C 38 51.797 51.797 55.037 -3.240 18954 1914 1 5 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.828 -1.172 18954 1915 1 5 . 1 1 38 38 ALA H H 38 7.364 7.364 8.002 -0.638 18954 1916 1 5 . 1 1 39 39 TRP N N 39 115.813 115.813 118.289 -2.476 18954 1917 1 5 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.154 -0.078 18954 1918 1 5 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.437 -2.707 18954 1919 1 5 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.127 -1.415 18954 1920 1 5 . 1 1 39 39 TRP H H 39 7.134 7.134 7.689 -0.555 18954 1921 1 5 . 1 1 40 40 LYS N N 40 117.209 117.209 118.779 -1.570 18954 1922 1 5 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.891 -0.042 18954 1923 1 5 . 1 1 40 40 LYS CA C 40 56.984 56.984 59.987 -3.003 18954 1924 1 5 . 1 1 40 40 LYS CB C 40 29.989 29.989 31.975 -1.986 18954 1925 1 5 . 1 1 40 40 LYS H H 40 8.091 8.091 8.251 -0.160 18954 1926 1 5 . 1 1 41 41 GLU N N 41 119.521 119.521 118.779 0.742 18954 1927 1 5 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.884 0.070 18954 1928 1 5 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.416 -3.514 18954 1929 1 5 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.772 -2.850 18954 1930 1 5 . 1 1 41 41 GLU H H 41 6.674 6.674 7.327 -0.653 18954 1931 1 5 . 1 1 42 42 LEU N N 42 117.269 117.269 120.296 -3.027 18954 1932 1 5 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.291 -0.404 18954 1933 1 5 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.107 -2.267 18954 1934 1 5 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.541 -1.703 18954 1935 1 5 . 1 1 42 42 LEU H H 42 7.866 7.866 8.496 -0.630 18954 1936 1 5 . 1 1 43 43 LYS N N 43 117.633 117.633 118.577 -0.944 18954 1937 1 5 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.337 -0.368 18954 1938 1 5 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.178 -3.171 18954 1939 1 5 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.375 -2.283 18954 1940 1 5 . 1 1 43 43 LYS H H 43 8.458 8.458 8.399 0.059 18954 1941 1 5 . 1 1 44 44 GLU N N 44 120.906 120.906 119.618 1.288 18954 1942 1 5 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.120 -0.277 18954 1943 1 5 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.545 -1.591 18954 1944 1 5 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.638 -2.783 18954 1945 1 5 . 1 1 44 44 GLU H H 44 8.013 8.013 7.654 0.359 18954 1946 1 5 . 1 1 45 45 GLN N N 45 113.584 113.584 117.886 -4.302 18954 1947 1 5 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.048 0.090 18954 1948 1 5 . 1 1 45 45 GLN CA C 45 58.177 58.177 58.214 -0.037 18954 1949 1 5 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.611 -2.075 18954 1950 1 5 . 1 1 45 45 GLN H H 45 7.665 7.665 8.134 -0.469 18954 1951 1 5 . 1 1 46 46 LEU N N 46 114.594 114.594 115.191 -0.597 18954 1952 1 5 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.474 -0.004 18954 1953 1 5 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.636 -2.707 18954 1954 1 5 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.488 -2.852 18954 1955 1 5 . 1 1 46 46 LEU H H 46 8.652 8.652 7.744 0.908 18954 1956 1 5 . 1 1 47 47 GLY N N 47 110.084 110.084 107.875 2.209 18954 1957 1 5 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.362 -2.523 18954 1958 1 5 . 1 1 47 47 GLY H H 47 7.642 7.642 7.389 0.253 18954 1959 1 5 . 1 1 48 48 GLU N N 48 118.535 118.535 121.037 -2.502 18954 1960 1 5 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.274 -0.562 18954 1961 1 5 . 1 1 48 48 GLU CA C 48 56.422 56.422 57.601 -1.179 18954 1962 1 5 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.562 -2.097 18954 1963 1 5 . 1 1 48 48 GLU H H 48 8.348 8.348 8.762 -0.414 18954 1964 1 5 . 1 1 49 49 GLU N N 49 114.460 114.460 117.325 -2.865 18954 1965 1 5 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.460 -0.087 18954 1966 1 5 . 1 1 49 49 GLU CA C 49 54.413 54.413 55.814 -1.401 18954 1967 1 5 . 1 1 49 49 GLU CB C 49 25.961 25.961 30.041 -4.080 18954 1968 1 5 . 1 1 49 49 GLU H H 49 8.498 8.498 8.354 0.144 18954 1969 1 5 . 1 1 50 50 ILE N N 50 121.524 121.524 121.208 0.316 18954 1970 1 5 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.910 0.192 18954 1971 1 5 . 1 1 50 50 ILE CA C 50 57.703 57.703 62.413 -4.710 18954 1972 1 5 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.890 -3.153 18954 1973 1 5 . 1 1 50 50 ILE H H 50 7.617 7.617 7.502 0.115 18954 1974 1 5 . 1 1 51 51 ASP N N 51 119.881 119.881 118.921 0.960 18954 1975 1 5 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.438 -0.138 18954 1976 1 5 . 1 1 51 51 ASP CA C 51 53.532 53.532 57.035 -3.503 18954 1977 1 5 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.762 -2.564 18954 1978 1 5 . 1 1 51 51 ASP H H 51 7.926 7.926 8.803 -0.877 18954 1979 1 5 . 1 1 52 52 SER N N 52 113.164 113.164 114.061 -0.897 18954 1980 1 5 . 1 1 52 52 SER HA H 52 4.403 4.403 4.194 0.209 18954 1981 1 5 . 1 1 52 52 SER CA C 52 56.968 56.968 60.564 -3.596 18954 1982 1 5 . 1 1 52 52 SER CB C 52 61.183 61.183 63.050 -1.867 18954 1983 1 5 . 1 1 52 52 SER H H 52 7.888 7.888 8.237 -0.349 18954 1984 1 5 . 1 1 53 53 LYS N N 53 120.411 120.411 119.618 0.793 18954 1985 1 5 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.454 0.000 18954 1986 1 5 . 1 1 53 53 LYS CA C 53 53.813 53.813 56.548 -2.735 18954 1987 1 5 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.233 -0.873 18954 1988 1 5 . 1 1 53 53 LYS H H 53 7.714 7.714 7.808 -0.094 18954 1989 1 5 . 1 1 54 54 VAL N N 54 116.701 116.701 119.313 -2.612 18954 1990 1 5 . 1 1 54 54 VAL HA H 54 4.467 4.467 3.964 0.503 18954 1991 1 5 . 1 1 54 54 VAL CA C 54 59.565 59.565 62.497 -2.932 18954 1992 1 5 . 1 1 54 54 VAL CB C 54 30.833 30.833 32.494 -1.661 18954 1993 1 5 . 1 1 54 54 VAL H H 54 7.041 7.041 7.281 -0.240 18954 1994 1 5 . 1 1 55 55 LYS N N 55 125.891 125.891 124.015 1.876 18954 1995 1 5 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.531 0.217 18954 1996 1 5 . 1 1 55 55 LYS CA C 55 51.602 51.602 53.848 -2.246 18954 1997 1 5 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.659 -0.371 18954 1998 1 5 . 1 1 55 55 LYS H H 55 9.138 9.138 8.100 1.038 18954 1999 1 5 . 1 1 56 56 GLY N N 56 109.312 109.312 109.030 0.282 18954 2000 1 5 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.760 -0.044 18954 2001 1 5 . 1 1 56 56 GLY H H 56 8.489 8.489 8.572 -0.083 18954 2002 1 5 . 1 1 57 57 MET N N 57 118.391 118.391 127.205 -8.814 18954 2003 1 5 . 1 1 57 57 MET HA H 57 4.930 4.930 4.627 0.303 18954 2004 1 5 . 1 1 57 57 MET CA C 57 53.906 53.906 56.377 -2.471 18954 2005 1 5 . 1 1 57 57 MET CB C 57 30.841 30.841 33.391 -2.550 18954 2006 1 5 . 1 1 57 57 MET H H 57 8.039 8.039 7.894 0.145 18954 2007 1 5 . 1 1 58 58 VAL N N 58 124.257 124.257 121.466 2.791 18954 2008 1 5 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.632 -0.183 18954 2009 1 5 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.922 -2.872 18954 2010 1 5 . 1 1 58 58 VAL CB C 58 33.856 33.856 33.492 0.363 18954 2011 1 5 . 1 1 58 58 VAL H H 58 8.780 8.780 8.998 -0.218 18954 2012 1 5 . 1 1 59 59 PHE N N 59 120.512 120.512 125.230 -4.718 18954 2013 1 5 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.454 0.521 18954 2014 1 5 . 1 1 59 59 PHE CA C 59 56.564 56.564 60.079 -3.515 18954 2015 1 5 . 1 1 59 59 PHE CB C 59 37.690 37.690 38.981 -1.291 18954 2016 1 5 . 1 1 59 59 PHE H H 59 8.432 8.432 8.763 -0.331 18954 2017 1 5 . 1 1 60 60 LEU N N 60 120.934 120.934 127.126 -6.192 18954 2018 1 5 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.278 0.098 18954 2019 1 5 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.781 -3.554 18954 2020 1 5 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.575 -2.050 18954 2021 1 5 . 1 1 60 60 LEU H H 60 8.291 8.291 8.001 0.290 18954 2022 1 5 . 1 1 61 61 LYS N N 61 122.117 122.117 121.781 0.336 18954 2023 1 5 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.178 -0.197 18954 2024 1 5 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.174 -1.631 18954 2025 1 5 . 1 1 61 61 LYS CB C 61 29.642 29.642 31.443 -1.801 18954 2026 1 5 . 1 1 61 61 LYS H H 61 8.371 8.371 8.493 -0.122 18954 2027 1 5 . 1 1 62 62 GLY N N 62 114.590 114.590 113.226 1.364 18954 2028 1 5 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.646 -1.674 18954 2029 1 5 . 1 1 62 62 GLY H H 62 8.870 8.870 8.624 0.246 18954 2030 1 5 . 1 1 63 63 LYS N N 63 111.406 111.406 117.569 -6.163 18954 2031 1 5 . 1 1 63 63 LYS H H 63 8.129 8.129 8.055 0.074 18954 2032 1 5 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.718 -0.252 18954 2033 1 5 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.664 -2.393 18954 2034 1 5 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.950 -4.494 18954 2035 1 5 . 1 1 65 65 GLY N N 65 105.164 105.164 103.220 1.944 18954 2036 1 5 . 1 1 65 65 GLY CA C 65 42.592 42.592 44.619 -2.027 18954 2037 1 5 . 1 1 65 65 GLY H H 65 7.375 7.375 7.321 0.054 18954 2038 1 5 . 1 1 66 66 VAL N N 66 111.490 111.490 118.829 -7.339 18954 2039 1 5 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.906 0.485 18954 2040 1 5 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.714 -3.447 18954 2041 1 5 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.992 -1.941 18954 2042 1 5 . 1 1 66 66 VAL H H 66 9.127 9.127 8.482 0.645 18954 2043 1 5 . 1 1 67 67 CYS N N 67 116.847 116.847 117.645 -0.798 18954 2044 1 5 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.296 0.198 18954 2045 1 5 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.439 -2.569 18954 2046 1 5 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.523 -3.038 18954 2047 1 5 . 1 1 67 67 CYS H H 67 8.914 8.914 8.913 0.001 18954 2048 1 5 . 1 1 68 68 PHE N N 68 116.013 116.013 114.278 1.735 18954 2049 1 5 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.901 -0.261 18954 2050 1 5 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.265 -2.629 18954 2051 1 5 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.641 -3.677 18954 2052 1 5 . 1 1 68 68 PHE H H 68 8.118 8.118 8.674 -0.556 18954 2053 1 5 . 1 1 69 69 ASP N N 69 119.562 119.562 120.734 -1.172 18954 2054 1 5 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.275 0.462 18954 2055 1 5 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.419 -4.256 18954 2056 1 5 . 1 1 69 69 ASP CB C 69 40.589 40.589 42.685 -2.096 18954 2057 1 5 . 1 1 69 69 ASP H H 69 8.999 8.999 8.524 0.475 18954 2058 1 5 . 1 1 70 70 VAL N N 70 114.283 114.283 116.796 -2.513 18954 2059 1 5 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.772 0.562 18954 2060 1 5 . 1 1 70 70 VAL CA C 70 54.964 54.964 58.074 -3.110 18954 2061 1 5 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.473 -2.937 18954 2062 1 5 . 1 1 70 70 VAL H H 70 8.913 8.913 9.061 -0.148 18954 2063 1 5 . 1 1 71 71 PRO HA H 71 4.227 4.227 2.884 1.343 18954 2064 1 5 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.944 -2.106 18954 2065 1 5 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.642 -2.169 18954 2066 1 5 . 1 1 72 72 THR N N 72 121.039 121.039 115.992 5.047 18954 2067 1 5 . 1 1 72 72 THR HA H 72 3.597 3.597 3.883 -0.286 18954 2068 1 5 . 1 1 72 72 THR CA C 72 63.671 63.671 65.728 -2.057 18954 2069 1 5 . 1 1 72 72 THR CB C 72 65.826 65.826 68.722 -2.896 18954 2070 1 5 . 1 1 72 72 THR H H 72 8.235 8.235 8.077 0.158 18954 2071 1 5 . 1 1 73 73 ALA N N 73 120.196 120.196 121.125 -0.929 18954 2072 1 5 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.299 -0.156 18954 2073 1 5 . 1 1 73 73 ALA CA C 73 51.471 51.471 53.658 -2.187 18954 2074 1 5 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.941 -2.846 18954 2075 1 5 . 1 1 73 73 ALA H H 73 8.466 8.466 7.941 0.525 18954 2076 1 5 . 1 1 74 74 SER N N 74 112.214 112.214 115.928 -3.714 18954 2077 1 5 . 1 1 74 74 SER HA H 74 4.552 4.552 4.371 0.181 18954 2078 1 5 . 1 1 74 74 SER CA C 74 57.492 57.492 60.741 -3.249 18954 2079 1 5 . 1 1 74 74 SER CB C 74 62.101 62.101 62.758 -0.657 18954 2080 1 5 . 1 1 74 74 SER H H 74 8.019 8.019 7.616 0.403 18954 2081 1 5 . 1 1 75 75 VAL N N 75 121.652 121.652 121.749 -0.097 18954 2082 1 5 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.700 -0.445 18954 2083 1 5 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.838 -1.831 18954 2084 1 5 . 1 1 75 75 VAL CB C 75 29.350 29.350 30.955 -1.605 18954 2085 1 5 . 1 1 75 75 VAL H H 75 7.222 7.222 7.589 -0.367 18954 2086 1 5 . 1 1 76 76 THR N N 76 113.812 113.812 112.871 0.941 18954 2087 1 5 . 1 1 76 76 THR HA H 76 3.963 3.963 4.289 -0.326 18954 2088 1 5 . 1 1 76 76 THR CA C 76 63.804 63.804 64.356 -0.552 18954 2089 1 5 . 1 1 76 76 THR CB C 76 65.567 65.567 68.188 -2.620 18954 2090 1 5 . 1 1 76 76 THR H H 76 8.107 8.107 7.664 0.443 18954 2091 1 5 . 1 1 77 77 GLU N N 77 121.634 121.634 121.765 -0.131 18954 2092 1 5 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.215 -0.182 18954 2093 1 5 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.237 -2.881 18954 2094 1 5 . 1 1 77 77 GLU CB C 77 27.032 27.032 30.126 -3.094 18954 2095 1 5 . 1 1 77 77 GLU H H 77 7.737 7.737 7.910 -0.173 18954 2096 1 5 . 1 1 78 78 ILE N N 78 119.383 119.383 121.104 -1.721 18954 2097 1 5 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.738 -0.127 18954 2098 1 5 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.718 -2.629 18954 2099 1 5 . 1 1 78 78 ILE CB C 78 35.616 35.616 38.165 -2.549 18954 2100 1 5 . 1 1 78 78 ILE H H 78 7.694 7.694 8.175 -0.481 18954 2101 1 5 . 1 1 79 79 GLN N N 79 116.015 116.015 117.541 -1.526 18954 2102 1 5 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.126 -0.198 18954 2103 1 5 . 1 1 79 79 GLN CA C 79 56.668 56.668 57.826 -1.158 18954 2104 1 5 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.206 -1.799 18954 2105 1 5 . 1 1 79 79 GLN H H 79 8.319 8.319 8.008 0.311 18954 2106 1 5 . 1 1 80 80 GLU N N 80 116.824 116.824 116.988 -0.164 18954 2107 1 5 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.483 -0.416 18954 2108 1 5 . 1 1 80 80 GLU CA C 80 55.591 55.591 56.981 -1.390 18954 2109 1 5 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.520 -3.091 18954 2110 1 5 . 1 1 80 80 GLU H H 80 7.884 7.884 7.540 0.344 18954 2111 1 5 . 1 1 81 81 LYS N N 81 118.113 118.113 117.673 0.440 18954 2112 1 5 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.527 -0.333 18954 2113 1 5 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.777 -0.934 18954 2114 1 5 . 1 1 81 81 LYS CB C 81 32.776 32.776 34.678 -1.903 18954 2115 1 5 . 1 1 81 81 LYS H H 81 7.396 7.396 7.951 -0.555 18954 2116 1 5 . 1 1 82 82 TRP N N 82 119.572 119.572 121.547 -1.975 18954 2117 1 5 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.730 -0.618 18954 2118 1 5 . 1 1 82 82 TRP CA C 82 55.919 55.919 56.651 -0.732 18954 2119 1 5 . 1 1 82 82 TRP CB C 82 27.453 27.453 31.625 -4.172 18954 2120 1 5 . 1 1 82 82 TRP H H 82 7.966 7.966 7.466 0.500 18954 2121 1 5 . 1 1 83 83 HIS N N 83 126.139 126.139 125.380 0.759 18954 2122 1 5 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.902 -0.238 18954 2123 1 5 . 1 1 83 83 HIS CA C 83 51.655 51.655 55.461 -3.805 18954 2124 1 5 . 1 1 83 83 HIS CB C 83 28.017 28.017 31.692 -3.675 18954 2125 1 5 . 1 1 83 83 HIS H H 83 8.566 8.566 8.010 0.556 18954 2126 1 5 . 1 1 84 84 ASP N N 84 125.751 125.751 121.884 3.867 18954 2127 1 5 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.662 0.337 18954 2128 1 5 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.275 -2.656 18954 2129 1 5 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.301 -1.560 18954 2130 1 5 . 1 1 84 84 ASP H H 84 8.913 8.913 8.757 0.156 18954 2131 1 5 . 1 1 85 85 SER N N 85 116.332 116.332 113.364 2.968 18954 2132 1 5 . 1 1 85 85 SER HA H 85 4.924 4.924 4.590 0.334 18954 2133 1 5 . 1 1 85 85 SER CA C 85 53.657 53.657 56.745 -3.088 18954 2134 1 5 . 1 1 85 85 SER CB C 85 64.982 64.982 64.427 0.555 18954 2135 1 5 . 1 1 85 85 SER H H 85 9.621 9.621 8.304 1.317 18954 2136 1 5 . 1 1 86 86 ARG N N 86 118.680 118.680 123.088 -4.408 18954 2137 1 5 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.165 -0.107 18954 2138 1 5 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.998 -3.151 18954 2139 1 5 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.395 -3.263 18954 2140 1 5 . 1 1 86 86 ARG H H 86 8.695 8.695 8.853 -0.158 18954 2141 1 5 . 1 1 87 87 ARG N N 87 117.323 117.323 116.697 0.626 18954 2142 1 5 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.478 -0.202 18954 2143 1 5 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.450 -1.461 18954 2144 1 5 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.157 -2.575 18954 2145 1 5 . 1 1 87 87 ARG H H 87 7.710 7.710 8.363 -0.653 18954 2146 1 5 . 1 1 88 88 TRP N N 88 115.976 115.976 119.222 -3.246 18954 2147 1 5 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.311 0.566 18954 2148 1 5 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.283 -3.872 18954 2149 1 5 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.589 -0.478 18954 2150 1 5 . 1 1 88 88 TRP H H 88 7.374 7.374 7.921 -0.547 18954 2151 1 5 . 1 1 89 89 GLN N N 89 118.426 118.426 118.772 -0.346 18954 2152 1 5 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.949 0.578 18954 2153 1 5 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.059 -2.394 18954 2154 1 5 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.193 -2.267 18954 2155 1 5 . 1 1 89 89 GLN H H 89 8.803 8.803 9.017 -0.214 18954 2156 1 5 . 1 1 90 90 LEU N N 90 127.680 127.680 123.938 3.742 18954 2157 1 5 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.860 0.369 18954 2158 1 5 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.943 -3.097 18954 2159 1 5 . 1 1 90 90 LEU CB C 90 39.965 39.965 43.334 -3.369 18954 2160 1 5 . 1 1 90 90 LEU H H 90 8.518 8.518 8.659 -0.141 18954 2161 1 5 . 1 1 91 91 SER N N 91 121.513 121.513 112.556 8.957 18954 2162 1 5 . 1 1 91 91 SER HA H 91 4.639 4.639 4.542 0.097 18954 2163 1 5 . 1 1 91 91 SER CA C 91 54.241 54.241 57.958 -3.716 18954 2164 1 5 . 1 1 91 91 SER CB C 91 63.274 63.274 64.113 -0.839 18954 2165 1 5 . 1 1 91 91 SER H H 91 8.979 8.979 8.063 0.916 18954 2166 1 5 . 1 1 92 92 VAL N N 92 120.290 120.290 119.768 0.522 18954 2167 1 5 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.064 0.052 18954 2168 1 5 . 1 1 92 92 VAL CA C 92 59.889 59.889 61.683 -1.794 18954 2169 1 5 . 1 1 92 92 VAL CB C 92 30.225 30.225 36.162 -5.937 18954 2170 1 5 . 1 1 92 92 VAL H H 92 8.277 8.277 8.212 0.065 18954 2171 1 5 . 1 1 93 93 ALA N N 93 130.076 130.076 129.428 0.648 18954 2172 1 5 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.374 -0.195 18954 2173 1 5 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.511 -2.318 18954 2174 1 5 . 1 1 93 93 ALA CB C 93 16.620 16.620 18.679 -2.059 18954 2175 1 5 . 1 1 93 93 ALA H H 93 8.521 8.521 8.428 0.093 18954 2176 1 5 . 1 1 94 94 THR N N 94 113.705 113.705 116.080 -2.375 18954 2177 1 5 . 1 1 94 94 THR HA H 94 4.190 4.190 4.076 0.114 18954 2178 1 5 . 1 1 94 94 THR CA C 94 65.409 65.409 62.614 2.795 18954 2179 1 5 . 1 1 94 94 THR CB C 94 67.702 67.702 69.094 -1.392 18954 2180 1 5 . 1 1 94 94 THR H H 94 8.099 8.099 8.524 -0.425 18954 2181 1 6 . 1 1 3 3 ILE N N 3 123.622 123.622 118.172 5.450 18954 2182 1 6 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.488 -0.373 18954 2183 1 6 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.025 -2.723 18954 2184 1 6 . 1 1 3 3 ILE CB C 3 36.212 36.212 39.298 -3.086 18954 2185 1 6 . 1 1 3 3 ILE H H 3 8.271 8.271 8.316 -0.045 18954 2186 1 6 . 1 1 4 4 SER N N 4 120.605 120.605 121.247 -0.642 18954 2187 1 6 . 1 1 4 4 SER HA H 4 4.368 4.368 4.670 -0.302 18954 2188 1 6 . 1 1 4 4 SER CA C 4 55.796 55.796 57.732 -1.936 18954 2189 1 6 . 1 1 4 4 SER CB C 4 60.945 60.945 64.620 -3.675 18954 2190 1 6 . 1 1 4 4 SER H H 4 8.425 8.425 8.441 -0.016 18954 2191 1 6 . 1 1 5 5 GLY N N 5 111.455 111.455 107.496 3.959 18954 2192 1 6 . 1 1 5 5 GLY CA C 5 42.781 42.781 45.438 -2.657 18954 2193 1 6 . 1 1 5 5 GLY H H 5 8.406 8.406 9.022 -0.616 18954 2194 1 6 . 1 1 6 6 ALA N N 6 123.660 123.660 121.759 1.901 18954 2195 1 6 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.711 -0.392 18954 2196 1 6 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.658 -1.764 18954 2197 1 6 . 1 1 6 6 ALA CB C 6 16.928 16.928 20.219 -3.291 18954 2198 1 6 . 1 1 6 6 ALA H H 6 8.103 8.103 7.728 0.375 18954 2199 1 6 . 1 1 7 7 THR N N 7 113.014 113.014 113.700 -0.686 18954 2200 1 6 . 1 1 7 7 THR HA H 7 4.309 4.309 4.429 -0.120 18954 2201 1 6 . 1 1 7 7 THR CA C 7 58.886 58.886 61.268 -2.382 18954 2202 1 6 . 1 1 7 7 THR CB C 7 67.461 67.461 69.442 -1.981 18954 2203 1 6 . 1 1 7 7 THR H H 7 8.108 8.108 8.080 0.028 18954 2204 1 6 . 1 1 8 8 SER N N 8 118.032 118.032 119.174 -1.142 18954 2205 1 6 . 1 1 8 8 SER HA H 8 4.434 4.434 4.487 -0.053 18954 2206 1 6 . 1 1 8 8 SER CA C 8 55.537 55.537 58.423 -2.886 18954 2207 1 6 . 1 1 8 8 SER CB C 8 61.305 61.305 61.926 -0.621 18954 2208 1 6 . 1 1 8 8 SER H H 8 8.222 8.222 8.703 -0.481 18954 2209 1 6 . 1 1 9 9 VAL N N 9 121.129 121.129 118.690 2.439 18954 2210 1 6 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.048 -0.026 18954 2211 1 6 . 1 1 9 9 VAL CA C 9 60.014 60.014 61.912 -1.898 18954 2212 1 6 . 1 1 9 9 VAL CB C 9 30.139 30.139 30.861 -0.722 18954 2213 1 6 . 1 1 9 9 VAL H H 9 8.098 8.098 7.879 0.219 18954 2214 1 6 . 1 1 10 10 ASP N N 10 123.102 123.102 121.800 1.302 18954 2215 1 6 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.468 0.035 18954 2216 1 6 . 1 1 10 10 ASP CA C 10 51.635 51.635 55.241 -3.606 18954 2217 1 6 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.343 -2.672 18954 2218 1 6 . 1 1 10 10 ASP H H 10 8.242 8.242 7.593 0.649 18954 2219 1 6 . 1 1 11 11 GLN N N 11 121.449 121.449 122.928 -1.479 18954 2220 1 6 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.428 -0.263 18954 2221 1 6 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.665 -1.892 18954 2222 1 6 . 1 1 11 11 GLN CB C 11 26.558 26.558 30.203 -3.645 18954 2223 1 6 . 1 1 11 11 GLN H H 11 8.247 8.247 8.304 -0.057 18954 2224 1 6 . 1 1 12 12 ARG N N 12 121.029 121.029 123.513 -2.484 18954 2225 1 6 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.526 -0.299 18954 2226 1 6 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.276 3.358 18954 2227 1 6 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.070 -2.786 18954 2228 1 6 . 1 1 12 12 ARG H H 12 8.215 8.215 8.948 -0.733 18954 2229 1 6 . 1 1 13 13 SER N N 13 121.168 121.168 111.469 9.699 18954 2230 1 6 . 1 1 13 13 SER HA H 13 4.327 4.327 4.523 -0.196 18954 2231 1 6 . 1 1 13 13 SER CA C 13 56.317 56.317 57.522 -1.204 18954 2232 1 6 . 1 1 13 13 SER CB C 13 61.153 61.153 64.990 -3.837 18954 2233 1 6 . 1 1 13 13 SER H H 13 8.483 8.483 7.696 0.787 18954 2234 1 6 . 1 1 14 14 LEU N N 14 115.731 115.731 121.587 -5.856 18954 2235 1 6 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.422 -0.175 18954 2236 1 6 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.277 -3.404 18954 2237 1 6 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.692 -2.003 18954 2238 1 6 . 1 1 14 14 LEU H H 14 8.124 8.124 8.342 -0.218 18954 2239 1 6 . 1 1 15 15 ILE N N 15 119.991 119.991 115.019 4.972 18954 2240 1 6 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.416 -0.419 18954 2241 1 6 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.282 -1.442 18954 2242 1 6 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.403 -1.198 18954 2243 1 6 . 1 1 15 15 ILE H H 15 7.859 7.859 7.474 0.385 18954 2244 1 6 . 1 1 16 16 ASN N N 16 120.780 120.780 119.408 1.372 18954 2245 1 6 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.518 0.195 18954 2246 1 6 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.666 -2.213 18954 2247 1 6 . 1 1 16 16 ASN H H 16 8.014 8.014 8.091 -0.077 18954 2248 1 6 . 1 1 17 17 SER N N 17 115.640 115.640 111.041 4.599 18954 2249 1 6 . 1 1 17 17 SER HA H 17 4.300 4.300 4.494 -0.194 18954 2250 1 6 . 1 1 17 17 SER CA C 17 56.001 56.001 58.316 -2.315 18954 2251 1 6 . 1 1 17 17 SER CB C 17 60.894 60.894 63.587 -2.693 18954 2252 1 6 . 1 1 17 17 SER H H 17 8.121 8.121 7.903 0.218 18954 2253 1 6 . 1 1 18 18 ASN N N 18 121.876 121.876 120.000 1.876 18954 2254 1 6 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.769 -0.038 18954 2255 1 6 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.110 -2.817 18954 2256 1 6 . 1 1 18 18 ASN H H 18 8.376 8.376 7.830 0.546 18954 2257 1 6 . 1 1 19 19 VAL N N 19 120.480 120.480 120.549 -0.069 18954 2258 1 6 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.971 0.058 18954 2259 1 6 . 1 1 19 19 VAL CA C 19 60.348 60.348 62.872 -2.524 18954 2260 1 6 . 1 1 19 19 VAL CB C 19 29.903 29.903 30.334 -0.431 18954 2261 1 6 . 1 1 19 19 VAL H H 19 8.022 8.022 7.915 0.107 18954 2262 1 6 . 1 1 20 20 GLY N N 20 112.265 112.265 115.645 -3.380 18954 2263 1 6 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.232 -2.534 18954 2264 1 6 . 1 1 20 20 GLY H H 20 8.567 8.567 8.384 0.183 18954 2265 1 6 . 1 1 21 21 PHE N N 21 119.701 119.701 120.316 -0.615 18954 2266 1 6 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.175 -0.042 18954 2267 1 6 . 1 1 21 21 PHE CA C 21 54.358 54.358 58.155 -3.797 18954 2268 1 6 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.079 -2.185 18954 2269 1 6 . 1 1 21 21 PHE H H 21 7.917 7.917 8.280 -0.363 18954 2270 1 6 . 1 1 22 22 VAL N N 22 120.733 120.733 123.645 -2.912 18954 2271 1 6 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.478 -0.217 18954 2272 1 6 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.125 -2.153 18954 2273 1 6 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.651 -2.572 18954 2274 1 6 . 1 1 22 22 VAL H H 22 9.221 9.221 8.893 0.328 18954 2275 1 6 . 1 1 23 23 THR N N 23 123.388 123.388 122.233 1.155 18954 2276 1 6 . 1 1 23 23 THR HA H 23 4.967 4.967 4.520 0.447 18954 2277 1 6 . 1 1 23 23 THR CA C 23 59.731 59.731 64.191 -4.460 18954 2278 1 6 . 1 1 23 23 THR CB C 23 66.715 66.715 69.550 -2.835 18954 2279 1 6 . 1 1 23 23 THR H H 23 8.403 8.403 8.812 -0.409 18954 2280 1 6 . 1 1 24 24 MET N N 24 125.957 125.957 123.057 2.900 18954 2281 1 6 . 1 1 24 24 MET HA H 24 4.702 4.702 4.719 -0.017 18954 2282 1 6 . 1 1 24 24 MET CA C 24 51.056 51.056 54.576 -3.520 18954 2283 1 6 . 1 1 24 24 MET CB C 24 32.115 32.115 36.089 -3.974 18954 2284 1 6 . 1 1 24 24 MET H H 24 9.289 9.289 8.874 0.415 18954 2285 1 6 . 1 1 25 25 ILE N N 25 117.652 117.652 119.294 -1.642 18954 2286 1 6 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.514 -0.115 18954 2287 1 6 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.094 -2.336 18954 2288 1 6 . 1 1 25 25 ILE CB C 25 37.870 37.870 39.806 -1.936 18954 2289 1 6 . 1 1 25 25 ILE H H 25 8.572 8.572 8.909 -0.337 18954 2290 1 6 . 1 1 26 26 LEU N N 26 130.281 130.281 128.891 1.390 18954 2291 1 6 . 1 1 26 26 LEU HA H 26 5.214 5.214 5.254 -0.040 18954 2292 1 6 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.492 -3.381 18954 2293 1 6 . 1 1 26 26 LEU CB C 26 41.363 41.363 42.989 -1.626 18954 2294 1 6 . 1 1 26 26 LEU H H 26 8.901 8.901 9.240 -0.339 18954 2295 1 6 . 1 1 27 27 GLN N N 27 125.400 125.400 122.405 2.995 18954 2296 1 6 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.527 0.246 18954 2297 1 6 . 1 1 27 27 GLN CB C 27 29.511 29.511 30.052 -0.541 18954 2298 1 6 . 1 1 27 27 GLN H H 27 9.330 9.330 8.392 0.938 18954 2299 1 6 . 1 1 28 28 CYS N N 28 124.065 124.065 121.596 2.469 18954 2300 1 6 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.776 0.347 18954 2301 1 6 . 1 1 28 28 CYS CA C 28 53.035 53.035 55.504 -2.469 18954 2302 1 6 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.617 -0.438 18954 2303 1 6 . 1 1 28 28 CYS H H 28 8.585 8.585 8.320 0.265 18954 2304 1 6 . 1 1 29 29 SER N N 29 121.076 121.076 118.240 2.836 18954 2305 1 6 . 1 1 29 29 SER HA H 29 4.160 4.160 4.352 -0.192 18954 2306 1 6 . 1 1 29 29 SER CA C 29 57.073 57.073 59.667 -2.594 18954 2307 1 6 . 1 1 29 29 SER CB C 29 60.725 60.725 63.395 -2.670 18954 2308 1 6 . 1 1 29 29 SER H H 29 8.519 8.519 8.175 0.344 18954 2309 1 6 . 1 1 30 30 ILE N N 30 117.987 117.987 114.791 3.196 18954 2310 1 6 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.385 -0.077 18954 2311 1 6 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.736 -2.155 18954 2312 1 6 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.333 -1.942 18954 2313 1 6 . 1 1 30 30 ILE H H 30 7.343 7.343 6.959 0.384 18954 2314 1 6 . 1 1 31 31 GLU N N 31 119.585 119.585 122.152 -2.567 18954 2315 1 6 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.449 -0.771 18954 2316 1 6 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.372 -2.148 18954 2317 1 6 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.483 -3.122 18954 2318 1 6 . 1 1 31 31 GLU H H 31 7.901 7.901 8.404 -0.503 18954 2319 1 6 . 1 1 32 32 MET N N 32 126.504 126.504 125.795 0.709 18954 2320 1 6 . 1 1 32 32 MET HA H 32 4.297 4.297 4.250 0.047 18954 2321 1 6 . 1 1 32 32 MET CA C 32 50.919 50.919 52.239 -1.321 18954 2322 1 6 . 1 1 32 32 MET CB C 32 32.696 32.696 32.887 -0.191 18954 2323 1 6 . 1 1 32 32 MET H H 32 8.406 8.406 8.631 -0.225 18954 2324 1 6 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.291 -0.100 18954 2325 1 6 . 1 1 33 33 PRO CA C 33 61.767 61.767 63.911 -2.144 18954 2326 1 6 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.790 -1.764 18954 2327 1 6 . 1 1 34 34 ASN N N 34 107.313 107.313 114.793 -7.480 18954 2328 1 6 . 1 1 34 34 ASN HA H 34 4.816 4.816 4.964 -0.148 18954 2329 1 6 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.750 -1.778 18954 2330 1 6 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.216 -2.079 18954 2331 1 6 . 1 1 34 34 ASN H H 34 7.077 7.077 7.788 -0.711 18954 2332 1 6 . 1 1 35 35 ILE N N 35 122.015 122.015 120.874 1.141 18954 2333 1 6 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.927 0.016 18954 2334 1 6 . 1 1 35 35 ILE CA C 35 61.775 61.775 62.980 -1.205 18954 2335 1 6 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.523 -2.133 18954 2336 1 6 . 1 1 35 35 ILE H H 35 9.109 9.109 8.837 0.272 18954 2337 1 6 . 1 1 36 36 SER N N 36 119.851 119.851 116.335 3.516 18954 2338 1 6 . 1 1 36 36 SER HA H 36 4.366 4.366 4.355 0.011 18954 2339 1 6 . 1 1 36 36 SER CA C 36 59.274 59.274 61.152 -1.878 18954 2340 1 6 . 1 1 36 36 SER CB C 36 59.818 59.818 62.624 -2.806 18954 2341 1 6 . 1 1 36 36 SER H H 36 8.936 8.936 8.449 0.487 18954 2342 1 6 . 1 1 37 37 TYR N N 37 122.338 122.338 122.818 -0.480 18954 2343 1 6 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.125 0.078 18954 2344 1 6 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.649 -3.464 18954 2345 1 6 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.197 -1.804 18954 2346 1 6 . 1 1 37 37 TYR H H 37 7.808 7.808 8.279 -0.471 18954 2347 1 6 . 1 1 38 38 ALA N N 38 120.761 120.761 120.859 -0.098 18954 2348 1 6 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.540 0.331 18954 2349 1 6 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.647 -2.849 18954 2350 1 6 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.599 -0.944 18954 2351 1 6 . 1 1 38 38 ALA H H 38 7.364 7.364 7.825 -0.461 18954 2352 1 6 . 1 1 39 39 TRP N N 39 115.813 115.813 118.944 -3.131 18954 2353 1 6 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.051 0.025 18954 2354 1 6 . 1 1 39 39 TRP CA C 39 57.730 57.730 59.770 -2.040 18954 2355 1 6 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.332 -1.620 18954 2356 1 6 . 1 1 39 39 TRP H H 39 7.134 7.134 7.349 -0.215 18954 2357 1 6 . 1 1 40 40 LYS N N 40 117.209 117.209 119.602 -2.393 18954 2358 1 6 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.831 0.018 18954 2359 1 6 . 1 1 40 40 LYS CA C 40 56.984 56.984 59.929 -2.945 18954 2360 1 6 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.013 -2.024 18954 2361 1 6 . 1 1 40 40 LYS H H 40 8.091 8.091 8.389 -0.298 18954 2362 1 6 . 1 1 41 41 GLU N N 41 119.521 119.521 119.591 -0.070 18954 2363 1 6 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.018 -0.064 18954 2364 1 6 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.314 -3.412 18954 2365 1 6 . 1 1 41 41 GLU CB C 41 25.922 25.922 29.079 -3.157 18954 2366 1 6 . 1 1 41 41 GLU H H 41 6.674 6.674 7.500 -0.826 18954 2367 1 6 . 1 1 42 42 LEU N N 42 117.269 117.269 119.856 -2.587 18954 2368 1 6 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.023 -0.136 18954 2369 1 6 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.188 -2.348 18954 2370 1 6 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.722 -1.884 18954 2371 1 6 . 1 1 42 42 LEU H H 42 7.866 7.866 8.458 -0.592 18954 2372 1 6 . 1 1 43 43 LYS N N 43 117.633 117.633 119.604 -1.971 18954 2373 1 6 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.200 -0.231 18954 2374 1 6 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.662 -3.655 18954 2375 1 6 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.198 -2.106 18954 2376 1 6 . 1 1 43 43 LYS H H 43 8.458 8.458 8.314 0.144 18954 2377 1 6 . 1 1 44 44 GLU N N 44 120.906 120.906 118.850 2.056 18954 2378 1 6 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.070 -0.227 18954 2379 1 6 . 1 1 44 44 GLU CA C 44 56.955 56.955 59.135 -2.180 18954 2380 1 6 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.590 -2.735 18954 2381 1 6 . 1 1 44 44 GLU H H 44 8.013 8.013 8.051 -0.038 18954 2382 1 6 . 1 1 45 45 GLN N N 45 113.584 113.584 117.130 -3.546 18954 2383 1 6 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.266 -0.128 18954 2384 1 6 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.507 0.670 18954 2385 1 6 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.789 -2.253 18954 2386 1 6 . 1 1 45 45 GLN H H 45 7.665 7.665 7.711 -0.046 18954 2387 1 6 . 1 1 46 46 LEU N N 46 114.594 114.594 116.592 -1.998 18954 2388 1 6 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.319 0.151 18954 2389 1 6 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.959 -4.030 18954 2390 1 6 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.904 -3.268 18954 2391 1 6 . 1 1 46 46 LEU H H 46 8.652 8.652 8.181 0.471 18954 2392 1 6 . 1 1 47 47 GLY N N 47 110.084 110.084 105.362 4.722 18954 2393 1 6 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.418 -2.579 18954 2394 1 6 . 1 1 47 47 GLY H H 47 7.642 7.642 7.684 -0.042 18954 2395 1 6 . 1 1 48 48 GLU N N 48 118.535 118.535 123.575 -5.040 18954 2396 1 6 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.072 -0.360 18954 2397 1 6 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.438 -2.016 18954 2398 1 6 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.548 -2.083 18954 2399 1 6 . 1 1 48 48 GLU H H 48 8.348 8.348 8.846 -0.498 18954 2400 1 6 . 1 1 49 49 GLU N N 49 114.460 114.460 117.654 -3.194 18954 2401 1 6 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.310 0.063 18954 2402 1 6 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.808 -2.395 18954 2403 1 6 . 1 1 49 49 GLU CB C 49 25.961 25.961 29.310 -3.349 18954 2404 1 6 . 1 1 49 49 GLU H H 49 8.498 8.498 8.279 0.219 18954 2405 1 6 . 1 1 50 50 ILE N N 50 121.524 121.524 121.361 0.163 18954 2406 1 6 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.897 0.205 18954 2407 1 6 . 1 1 50 50 ILE CA C 50 57.703 57.703 62.777 -5.074 18954 2408 1 6 . 1 1 50 50 ILE CB C 50 35.737 35.737 37.990 -2.253 18954 2409 1 6 . 1 1 50 50 ILE H H 50 7.617 7.617 7.430 0.187 18954 2410 1 6 . 1 1 51 51 ASP N N 51 119.881 119.881 119.930 -0.049 18954 2411 1 6 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.123 0.177 18954 2412 1 6 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.095 -2.563 18954 2413 1 6 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.382 -2.183 18954 2414 1 6 . 1 1 51 51 ASP H H 51 7.926 7.926 8.487 -0.561 18954 2415 1 6 . 1 1 52 52 SER N N 52 113.164 113.164 114.880 -1.716 18954 2416 1 6 . 1 1 52 52 SER HA H 52 4.403 4.403 4.343 0.060 18954 2417 1 6 . 1 1 52 52 SER CA C 52 56.968 56.968 59.745 -2.777 18954 2418 1 6 . 1 1 52 52 SER CB C 52 61.183 61.183 63.270 -2.087 18954 2419 1 6 . 1 1 52 52 SER H H 52 7.888 7.888 7.932 -0.044 18954 2420 1 6 . 1 1 53 53 LYS N N 53 120.411 120.411 119.606 0.805 18954 2421 1 6 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.445 0.009 18954 2422 1 6 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.948 -2.135 18954 2423 1 6 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.732 -0.373 18954 2424 1 6 . 1 1 53 53 LYS H H 53 7.714 7.714 7.674 0.040 18954 2425 1 6 . 1 1 54 54 VAL N N 54 116.701 116.701 116.707 -0.006 18954 2426 1 6 . 1 1 54 54 VAL HA H 54 4.467 4.467 5.019 -0.552 18954 2427 1 6 . 1 1 54 54 VAL CA C 54 59.565 59.565 59.434 0.131 18954 2428 1 6 . 1 1 54 54 VAL CB C 54 30.833 30.833 34.769 -3.936 18954 2429 1 6 . 1 1 54 54 VAL H H 54 7.041 7.041 7.473 -0.432 18954 2430 1 6 . 1 1 55 55 LYS N N 55 125.891 125.891 124.557 1.334 18954 2431 1 6 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.383 0.365 18954 2432 1 6 . 1 1 55 55 LYS CA C 55 51.602 51.602 56.950 -5.348 18954 2433 1 6 . 1 1 55 55 LYS CB C 55 33.288 33.288 32.765 0.523 18954 2434 1 6 . 1 1 55 55 LYS H H 55 9.138 9.138 9.239 -0.101 18954 2435 1 6 . 1 1 56 56 GLY N N 56 109.312 109.312 106.870 2.442 18954 2436 1 6 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.703 0.014 18954 2437 1 6 . 1 1 56 56 GLY H H 56 8.489 8.489 8.362 0.127 18954 2438 1 6 . 1 1 57 57 MET N N 57 118.391 118.391 118.518 -0.127 18954 2439 1 6 . 1 1 57 57 MET HA H 57 4.930 4.930 4.297 0.633 18954 2440 1 6 . 1 1 57 57 MET CA C 57 53.906 53.906 56.866 -2.960 18954 2441 1 6 . 1 1 57 57 MET CB C 57 30.841 30.841 32.992 -2.151 18954 2442 1 6 . 1 1 57 57 MET H H 57 8.039 8.039 8.039 -0.000 18954 2443 1 6 . 1 1 58 58 VAL N N 58 124.257 124.257 117.260 6.997 18954 2444 1 6 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.736 -0.287 18954 2445 1 6 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.546 -2.496 18954 2446 1 6 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.995 -1.139 18954 2447 1 6 . 1 1 58 58 VAL H H 58 8.780 8.780 8.888 -0.108 18954 2448 1 6 . 1 1 59 59 PHE N N 59 120.512 120.512 122.266 -1.754 18954 2449 1 6 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.471 0.504 18954 2450 1 6 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.830 -3.266 18954 2451 1 6 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.597 -1.907 18954 2452 1 6 . 1 1 59 59 PHE H H 59 8.432 8.432 8.604 -0.172 18954 2453 1 6 . 1 1 60 60 LEU N N 60 120.934 120.934 124.042 -3.108 18954 2454 1 6 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.470 -0.094 18954 2455 1 6 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.539 -3.312 18954 2456 1 6 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.716 -2.191 18954 2457 1 6 . 1 1 60 60 LEU H H 60 8.291 8.291 8.265 0.026 18954 2458 1 6 . 1 1 61 61 LYS N N 61 122.117 122.117 120.306 1.811 18954 2459 1 6 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.265 -0.284 18954 2460 1 6 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.183 -1.640 18954 2461 1 6 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.347 -2.705 18954 2462 1 6 . 1 1 61 61 LYS H H 61 8.371 8.371 8.473 -0.102 18954 2463 1 6 . 1 1 62 62 GLY N N 62 114.590 114.590 107.467 7.123 18954 2464 1 6 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.384 -1.412 18954 2465 1 6 . 1 1 62 62 GLY H H 62 8.870 8.870 7.730 1.140 18954 2466 1 6 . 1 1 63 63 LYS N N 63 111.406 111.406 124.077 -12.671 18954 2467 1 6 . 1 1 63 63 LYS H H 63 8.129 8.129 8.854 -0.725 18954 2468 1 6 . 1 1 64 64 LEU HA H 64 4.466 4.466 5.056 -0.590 18954 2469 1 6 . 1 1 64 64 LEU CA C 64 52.271 52.271 53.844 -1.573 18954 2470 1 6 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.511 -4.055 18954 2471 1 6 . 1 1 65 65 GLY N N 65 105.164 105.164 105.106 0.058 18954 2472 1 6 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.555 -2.963 18954 2473 1 6 . 1 1 65 65 GLY H H 65 7.375 7.375 7.533 -0.158 18954 2474 1 6 . 1 1 66 66 VAL N N 66 111.490 111.490 118.204 -6.714 18954 2475 1 6 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.892 0.499 18954 2476 1 6 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.590 -3.323 18954 2477 1 6 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.620 -1.569 18954 2478 1 6 . 1 1 66 66 VAL H H 66 9.127 9.127 8.797 0.330 18954 2479 1 6 . 1 1 67 67 CYS N N 67 116.847 116.847 118.145 -1.298 18954 2480 1 6 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.601 -0.107 18954 2481 1 6 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.589 -2.719 18954 2482 1 6 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.839 -3.354 18954 2483 1 6 . 1 1 67 67 CYS H H 67 8.914 8.914 9.035 -0.121 18954 2484 1 6 . 1 1 68 68 PHE N N 68 116.013 116.013 114.695 1.318 18954 2485 1 6 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.818 -0.178 18954 2486 1 6 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.538 -2.902 18954 2487 1 6 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.594 -3.630 18954 2488 1 6 . 1 1 68 68 PHE H H 68 8.118 8.118 8.797 -0.679 18954 2489 1 6 . 1 1 69 69 ASP N N 69 119.562 119.562 122.163 -2.601 18954 2490 1 6 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.190 0.547 18954 2491 1 6 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.912 -4.749 18954 2492 1 6 . 1 1 69 69 ASP CB C 69 40.589 40.589 42.576 -1.987 18954 2493 1 6 . 1 1 69 69 ASP H H 69 8.999 8.999 8.562 0.437 18954 2494 1 6 . 1 1 70 70 VAL N N 70 114.283 114.283 116.802 -2.519 18954 2495 1 6 . 1 1 70 70 VAL HA H 70 5.334 5.334 5.308 0.026 18954 2496 1 6 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.528 -2.564 18954 2497 1 6 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.594 -3.058 18954 2498 1 6 . 1 1 70 70 VAL H H 70 8.913 8.913 8.808 0.105 18954 2499 1 6 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.529 0.698 18954 2500 1 6 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.503 -1.665 18954 2501 1 6 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.820 -2.347 18954 2502 1 6 . 1 1 72 72 THR N N 72 121.039 121.039 119.909 1.130 18954 2503 1 6 . 1 1 72 72 THR HA H 72 3.597 3.597 3.787 -0.190 18954 2504 1 6 . 1 1 72 72 THR CA C 72 63.671 63.671 67.199 -3.528 18954 2505 1 6 . 1 1 72 72 THR CB C 72 65.826 65.826 68.150 -2.324 18954 2506 1 6 . 1 1 72 72 THR H H 72 8.235 8.235 8.128 0.107 18954 2507 1 6 . 1 1 73 73 ALA N N 73 120.196 120.196 118.863 1.333 18954 2508 1 6 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.138 0.005 18954 2509 1 6 . 1 1 73 73 ALA CA C 73 51.471 51.471 53.459 -1.988 18954 2510 1 6 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.074 -1.979 18954 2511 1 6 . 1 1 73 73 ALA H H 73 8.466 8.466 8.470 -0.003 18954 2512 1 6 . 1 1 74 74 SER N N 74 112.214 112.214 112.181 0.033 18954 2513 1 6 . 1 1 74 74 SER HA H 74 4.552 4.552 4.628 -0.076 18954 2514 1 6 . 1 1 74 74 SER CA C 74 57.492 57.492 58.967 -1.475 18954 2515 1 6 . 1 1 74 74 SER CB C 74 62.101 62.101 64.442 -2.341 18954 2516 1 6 . 1 1 74 74 SER H H 74 8.019 8.019 7.733 0.286 18954 2517 1 6 . 1 1 75 75 VAL N N 75 121.652 121.652 124.062 -2.410 18954 2518 1 6 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.556 -0.301 18954 2519 1 6 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.872 -1.865 18954 2520 1 6 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.709 -2.359 18954 2521 1 6 . 1 1 75 75 VAL H H 75 7.222 7.222 8.255 -1.033 18954 2522 1 6 . 1 1 76 76 THR N N 76 113.812 113.812 112.223 1.589 18954 2523 1 6 . 1 1 76 76 THR HA H 76 3.963 3.963 4.217 -0.254 18954 2524 1 6 . 1 1 76 76 THR CA C 76 63.804 63.804 64.299 -0.495 18954 2525 1 6 . 1 1 76 76 THR CB C 76 65.567 65.567 68.586 -3.019 18954 2526 1 6 . 1 1 76 76 THR H H 76 8.107 8.107 7.523 0.584 18954 2527 1 6 . 1 1 77 77 GLU N N 77 121.634 121.634 121.901 -0.267 18954 2528 1 6 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.261 -0.228 18954 2529 1 6 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.038 -2.682 18954 2530 1 6 . 1 1 77 77 GLU CB C 77 27.032 27.032 30.099 -3.067 18954 2531 1 6 . 1 1 77 77 GLU H H 77 7.737 7.737 7.702 0.035 18954 2532 1 6 . 1 1 78 78 ILE N N 78 119.383 119.383 120.736 -1.353 18954 2533 1 6 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.577 0.034 18954 2534 1 6 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.797 -2.708 18954 2535 1 6 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.921 -2.305 18954 2536 1 6 . 1 1 78 78 ILE H H 78 7.694 7.694 8.454 -0.760 18954 2537 1 6 . 1 1 79 79 GLN N N 79 116.015 116.015 115.317 0.698 18954 2538 1 6 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.091 -0.163 18954 2539 1 6 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.260 -1.592 18954 2540 1 6 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.064 -1.657 18954 2541 1 6 . 1 1 79 79 GLN H H 79 8.319 8.319 7.880 0.439 18954 2542 1 6 . 1 1 80 80 GLU N N 80 116.824 116.824 118.451 -1.627 18954 2543 1 6 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.276 -0.209 18954 2544 1 6 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.392 -2.801 18954 2545 1 6 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.114 -2.685 18954 2546 1 6 . 1 1 80 80 GLU H H 80 7.884 7.884 7.893 -0.009 18954 2547 1 6 . 1 1 81 81 LYS N N 81 118.113 118.113 117.066 1.047 18954 2548 1 6 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.340 -0.146 18954 2549 1 6 . 1 1 81 81 LYS CA C 81 54.843 54.843 56.720 -1.877 18954 2550 1 6 . 1 1 81 81 LYS CB C 81 32.776 32.776 32.724 0.053 18954 2551 1 6 . 1 1 81 81 LYS H H 81 7.396 7.396 7.938 -0.542 18954 2552 1 6 . 1 1 82 82 TRP N N 82 119.572 119.572 120.439 -0.867 18954 2553 1 6 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.785 -0.673 18954 2554 1 6 . 1 1 82 82 TRP CA C 82 55.919 55.919 56.550 -0.631 18954 2555 1 6 . 1 1 82 82 TRP CB C 82 27.453 27.453 32.640 -5.187 18954 2556 1 6 . 1 1 82 82 TRP H H 82 7.966 7.966 7.357 0.609 18954 2557 1 6 . 1 1 83 83 HIS N N 83 126.139 126.139 118.144 7.995 18954 2558 1 6 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.901 -0.237 18954 2559 1 6 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.782 -3.127 18954 2560 1 6 . 1 1 83 83 HIS CB C 83 28.017 28.017 32.836 -4.819 18954 2561 1 6 . 1 1 83 83 HIS H H 83 8.566 8.566 7.325 1.241 18954 2562 1 6 . 1 1 84 84 ASP N N 84 125.751 125.751 124.194 1.557 18954 2563 1 6 . 1 1 84 84 ASP HA H 84 4.999 4.999 5.080 -0.081 18954 2564 1 6 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.633 -2.014 18954 2565 1 6 . 1 1 84 84 ASP CB C 84 39.741 39.741 39.901 -0.160 18954 2566 1 6 . 1 1 84 84 ASP H H 84 8.913 8.913 8.552 0.361 18954 2567 1 6 . 1 1 85 85 SER N N 85 116.332 116.332 118.995 -2.663 18954 2568 1 6 . 1 1 85 85 SER HA H 85 4.924 4.924 4.628 0.296 18954 2569 1 6 . 1 1 85 85 SER CA C 85 53.657 53.657 57.809 -4.152 18954 2570 1 6 . 1 1 85 85 SER CB C 85 64.982 64.982 65.456 -0.474 18954 2571 1 6 . 1 1 85 85 SER H H 85 9.621 9.621 8.058 1.563 18954 2572 1 6 . 1 1 86 86 ARG N N 86 118.680 118.680 120.682 -2.002 18954 2573 1 6 . 1 1 86 86 ARG HA H 86 4.058 4.058 3.932 0.126 18954 2574 1 6 . 1 1 86 86 ARG CA C 86 55.847 55.847 59.322 -3.475 18954 2575 1 6 . 1 1 86 86 ARG CB C 86 27.132 27.132 29.513 -2.381 18954 2576 1 6 . 1 1 86 86 ARG H H 86 8.695 8.695 8.934 -0.239 18954 2577 1 6 . 1 1 87 87 ARG N N 87 117.323 117.323 117.437 -0.114 18954 2578 1 6 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.493 -0.217 18954 2579 1 6 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.882 -1.893 18954 2580 1 6 . 1 1 87 87 ARG CB C 87 29.582 29.582 33.512 -3.930 18954 2581 1 6 . 1 1 87 87 ARG H H 87 7.710 7.710 8.280 -0.570 18954 2582 1 6 . 1 1 88 88 TRP N N 88 115.976 115.976 119.633 -3.657 18954 2583 1 6 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.420 0.457 18954 2584 1 6 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.491 -4.080 18954 2585 1 6 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.853 -0.743 18954 2586 1 6 . 1 1 88 88 TRP H H 88 7.374 7.374 8.483 -1.109 18954 2587 1 6 . 1 1 89 89 GLN N N 89 118.426 118.426 120.441 -2.015 18954 2588 1 6 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.955 0.572 18954 2589 1 6 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.797 -2.132 18954 2590 1 6 . 1 1 89 89 GLN CB C 89 29.926 29.926 31.609 -1.683 18954 2591 1 6 . 1 1 89 89 GLN H H 89 8.803 8.803 8.701 0.102 18954 2592 1 6 . 1 1 90 90 LEU N N 90 127.680 127.680 126.351 1.329 18954 2593 1 6 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.723 0.506 18954 2594 1 6 . 1 1 90 90 LEU CA C 90 50.846 50.846 54.061 -3.215 18954 2595 1 6 . 1 1 90 90 LEU CB C 90 39.965 39.965 41.315 -1.350 18954 2596 1 6 . 1 1 90 90 LEU H H 90 8.518 8.518 8.786 -0.268 18954 2597 1 6 . 1 1 91 91 SER N N 91 121.513 121.513 120.418 1.095 18954 2598 1 6 . 1 1 91 91 SER HA H 91 4.639 4.639 4.747 -0.108 18954 2599 1 6 . 1 1 91 91 SER CA C 91 54.241 54.241 57.175 -2.934 18954 2600 1 6 . 1 1 91 91 SER CB C 91 63.274 63.274 65.030 -1.756 18954 2601 1 6 . 1 1 91 91 SER H H 91 8.979 8.979 8.612 0.367 18954 2602 1 6 . 1 1 92 92 VAL N N 92 120.290 120.290 120.279 0.011 18954 2603 1 6 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.093 0.023 18954 2604 1 6 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.112 0.777 18954 2605 1 6 . 1 1 92 92 VAL CB C 92 30.225 30.225 34.686 -4.461 18954 2606 1 6 . 1 1 92 92 VAL H H 92 8.277 8.277 8.206 0.071 18954 2607 1 6 . 1 1 93 93 ALA N N 93 130.076 130.076 128.554 1.522 18954 2608 1 6 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.303 -0.124 18954 2609 1 6 . 1 1 93 93 ALA CA C 93 50.193 50.193 53.101 -2.908 18954 2610 1 6 . 1 1 93 93 ALA CB C 93 16.620 16.620 18.956 -2.336 18954 2611 1 6 . 1 1 93 93 ALA H H 93 8.521 8.521 8.413 0.108 18954 2612 1 6 . 1 1 94 94 THR N N 94 113.705 113.705 114.406 -0.701 18954 2613 1 6 . 1 1 94 94 THR HA H 94 4.190 4.190 4.253 -0.063 18954 2614 1 6 . 1 1 94 94 THR CA C 94 65.409 65.409 63.086 2.324 18954 2615 1 6 . 1 1 94 94 THR CB C 94 67.702 67.702 68.926 -1.224 18954 2616 1 6 . 1 1 94 94 THR H H 94 8.099 8.099 8.651 -0.552 18954 2617 1 7 . 1 1 3 3 ILE N N 3 123.622 123.622 123.951 -0.329 18954 2618 1 7 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.425 -0.310 18954 2619 1 7 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.203 -2.901 18954 2620 1 7 . 1 1 3 3 ILE CB C 3 36.212 36.212 39.261 -3.049 18954 2621 1 7 . 1 1 3 3 ILE H H 3 8.271 8.271 8.420 -0.149 18954 2622 1 7 . 1 1 4 4 SER N N 4 120.605 120.605 123.729 -3.124 18954 2623 1 7 . 1 1 4 4 SER HA H 4 4.368 4.368 4.624 -0.256 18954 2624 1 7 . 1 1 4 4 SER CA C 4 55.796 55.796 57.846 -2.050 18954 2625 1 7 . 1 1 4 4 SER CB C 4 60.945 60.945 64.159 -3.214 18954 2626 1 7 . 1 1 4 4 SER H H 4 8.425 8.425 8.698 -0.273 18954 2627 1 7 . 1 1 5 5 GLY N N 5 111.455 111.455 111.477 -0.022 18954 2628 1 7 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.446 -1.665 18954 2629 1 7 . 1 1 5 5 GLY H H 5 8.406 8.406 8.083 0.323 18954 2630 1 7 . 1 1 6 6 ALA N N 6 123.660 123.660 122.412 1.248 18954 2631 1 7 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.687 -0.368 18954 2632 1 7 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.561 -2.667 18954 2633 1 7 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.406 -2.478 18954 2634 1 7 . 1 1 6 6 ALA H H 6 8.103 8.103 8.273 -0.170 18954 2635 1 7 . 1 1 7 7 THR N N 7 113.014 113.014 112.220 0.794 18954 2636 1 7 . 1 1 7 7 THR HA H 7 4.309 4.309 4.607 -0.298 18954 2637 1 7 . 1 1 7 7 THR CA C 7 58.886 58.886 61.343 -2.457 18954 2638 1 7 . 1 1 7 7 THR CB C 7 67.461 67.461 70.371 -2.910 18954 2639 1 7 . 1 1 7 7 THR H H 7 8.108 8.108 7.662 0.446 18954 2640 1 7 . 1 1 8 8 SER N N 8 118.032 118.032 114.292 3.740 18954 2641 1 7 . 1 1 8 8 SER HA H 8 4.434 4.434 4.686 -0.252 18954 2642 1 7 . 1 1 8 8 SER CA C 8 55.537 55.537 57.711 -2.174 18954 2643 1 7 . 1 1 8 8 SER CB C 8 61.305 61.305 65.239 -3.934 18954 2644 1 7 . 1 1 8 8 SER H H 8 8.222 8.222 8.357 -0.135 18954 2645 1 7 . 1 1 9 9 VAL N N 9 121.129 121.129 123.730 -2.601 18954 2646 1 7 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.384 -0.362 18954 2647 1 7 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.306 -2.292 18954 2648 1 7 . 1 1 9 9 VAL CB C 9 30.139 30.139 31.129 -0.990 18954 2649 1 7 . 1 1 9 9 VAL H H 9 8.098 8.098 8.432 -0.334 18954 2650 1 7 . 1 1 10 10 ASP N N 10 123.102 123.102 125.862 -2.760 18954 2651 1 7 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.889 -0.386 18954 2652 1 7 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.405 -2.770 18954 2653 1 7 . 1 1 10 10 ASP CB C 10 38.671 38.671 40.713 -2.042 18954 2654 1 7 . 1 1 10 10 ASP H H 10 8.242 8.242 8.177 0.065 18954 2655 1 7 . 1 1 11 11 GLN N N 11 121.449 121.449 120.608 0.841 18954 2656 1 7 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.471 -0.306 18954 2657 1 7 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.658 -1.885 18954 2658 1 7 . 1 1 11 11 GLN CB C 11 26.558 26.558 30.472 -3.914 18954 2659 1 7 . 1 1 11 11 GLN H H 11 8.247 8.247 8.199 0.048 18954 2660 1 7 . 1 1 12 12 ARG N N 12 121.029 121.029 122.275 -1.246 18954 2661 1 7 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.692 -0.465 18954 2662 1 7 . 1 1 12 12 ARG CA C 12 59.634 59.634 55.910 3.724 18954 2663 1 7 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.705 -3.421 18954 2664 1 7 . 1 1 12 12 ARG H H 12 8.215 8.215 8.605 -0.390 18954 2665 1 7 . 1 1 13 13 SER N N 13 121.168 121.168 115.084 6.084 18954 2666 1 7 . 1 1 13 13 SER HA H 13 4.327 4.327 4.618 -0.291 18954 2667 1 7 . 1 1 13 13 SER CA C 13 56.317 56.317 57.514 -1.197 18954 2668 1 7 . 1 1 13 13 SER CB C 13 61.153 61.153 65.642 -4.489 18954 2669 1 7 . 1 1 13 13 SER H H 13 8.483 8.483 8.010 0.473 18954 2670 1 7 . 1 1 14 14 LEU N N 14 115.731 115.731 123.338 -7.607 18954 2671 1 7 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.391 -0.144 18954 2672 1 7 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.065 -3.192 18954 2673 1 7 . 1 1 14 14 LEU CB C 14 39.689 39.689 40.644 -0.955 18954 2674 1 7 . 1 1 14 14 LEU H H 14 8.124 8.124 8.829 -0.705 18954 2675 1 7 . 1 1 15 15 ILE N N 15 119.991 119.991 113.710 6.281 18954 2676 1 7 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.410 -0.413 18954 2677 1 7 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.288 -1.448 18954 2678 1 7 . 1 1 15 15 ILE CB C 15 36.205 36.205 38.798 -2.593 18954 2679 1 7 . 1 1 15 15 ILE H H 15 7.859 7.859 7.722 0.137 18954 2680 1 7 . 1 1 16 16 ASN N N 16 120.780 120.780 122.681 -1.901 18954 2681 1 7 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.468 0.245 18954 2682 1 7 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.466 -2.013 18954 2683 1 7 . 1 1 16 16 ASN H H 16 8.014 8.014 8.246 -0.232 18954 2684 1 7 . 1 1 17 17 SER N N 17 115.640 115.640 113.498 2.142 18954 2685 1 7 . 1 1 17 17 SER HA H 17 4.300 4.300 4.563 -0.263 18954 2686 1 7 . 1 1 17 17 SER CA C 17 56.001 56.001 58.710 -2.709 18954 2687 1 7 . 1 1 17 17 SER CB C 17 60.894 60.894 62.617 -1.722 18954 2688 1 7 . 1 1 17 17 SER H H 17 8.121 8.121 7.658 0.463 18954 2689 1 7 . 1 1 18 18 ASN N N 18 121.876 121.876 121.480 0.396 18954 2690 1 7 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.817 -0.086 18954 2691 1 7 . 1 1 18 18 ASN CB C 18 36.293 36.293 40.025 -3.732 18954 2692 1 7 . 1 1 18 18 ASN H H 18 8.376 8.376 8.491 -0.115 18954 2693 1 7 . 1 1 19 19 VAL N N 19 120.480 120.480 120.065 0.415 18954 2694 1 7 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.321 -0.292 18954 2695 1 7 . 1 1 19 19 VAL CA C 19 60.348 60.348 60.319 0.029 18954 2696 1 7 . 1 1 19 19 VAL CB C 19 29.903 29.903 32.965 -3.062 18954 2697 1 7 . 1 1 19 19 VAL H H 19 8.022 8.022 7.873 0.149 18954 2698 1 7 . 1 1 20 20 GLY N N 20 112.265 112.265 115.526 -3.261 18954 2699 1 7 . 1 1 20 20 GLY CA C 20 42.698 42.698 46.079 -3.381 18954 2700 1 7 . 1 1 20 20 GLY H H 20 8.567 8.567 8.392 0.175 18954 2701 1 7 . 1 1 21 21 PHE N N 21 119.701 119.701 119.896 -0.195 18954 2702 1 7 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.620 -0.487 18954 2703 1 7 . 1 1 21 21 PHE CA C 21 54.358 54.358 56.918 -2.560 18954 2704 1 7 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.724 -2.830 18954 2705 1 7 . 1 1 21 21 PHE H H 21 7.917 7.917 8.488 -0.571 18954 2706 1 7 . 1 1 22 22 VAL N N 22 120.733 120.733 119.011 1.722 18954 2707 1 7 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.455 -0.194 18954 2708 1 7 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.319 -2.347 18954 2709 1 7 . 1 1 22 22 VAL CB C 22 33.078 33.078 36.463 -3.385 18954 2710 1 7 . 1 1 22 22 VAL H H 22 9.221 9.221 9.143 0.078 18954 2711 1 7 . 1 1 23 23 THR N N 23 123.388 123.388 119.708 3.680 18954 2712 1 7 . 1 1 23 23 THR HA H 23 4.967 4.967 4.821 0.146 18954 2713 1 7 . 1 1 23 23 THR CA C 23 59.731 59.731 63.313 -3.582 18954 2714 1 7 . 1 1 23 23 THR CB C 23 66.715 66.715 69.768 -3.053 18954 2715 1 7 . 1 1 23 23 THR H H 23 8.403 8.403 8.607 -0.204 18954 2716 1 7 . 1 1 24 24 MET N N 24 125.957 125.957 121.652 4.305 18954 2717 1 7 . 1 1 24 24 MET HA H 24 4.702 4.702 5.091 -0.389 18954 2718 1 7 . 1 1 24 24 MET CA C 24 51.056 51.056 53.992 -2.936 18954 2719 1 7 . 1 1 24 24 MET CB C 24 32.115 32.115 36.178 -4.064 18954 2720 1 7 . 1 1 24 24 MET H H 24 9.289 9.289 8.808 0.481 18954 2721 1 7 . 1 1 25 25 ILE N N 25 117.652 117.652 118.010 -0.358 18954 2722 1 7 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.603 -0.204 18954 2723 1 7 . 1 1 25 25 ILE CA C 25 56.759 56.759 58.978 -2.219 18954 2724 1 7 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.783 -2.913 18954 2725 1 7 . 1 1 25 25 ILE H H 25 8.572 8.572 7.951 0.621 18954 2726 1 7 . 1 1 26 26 LEU N N 26 130.281 130.281 124.132 6.149 18954 2727 1 7 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.708 0.506 18954 2728 1 7 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.443 -3.332 18954 2729 1 7 . 1 1 26 26 LEU CB C 26 41.363 41.363 46.035 -4.671 18954 2730 1 7 . 1 1 26 26 LEU H H 26 8.901 8.901 8.744 0.157 18954 2731 1 7 . 1 1 27 27 GLN N N 27 125.400 125.400 120.787 4.613 18954 2732 1 7 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.936 -0.163 18954 2733 1 7 . 1 1 27 27 GLN CB C 27 29.511 29.511 32.357 -2.846 18954 2734 1 7 . 1 1 27 27 GLN H H 27 9.330 9.330 8.488 0.842 18954 2735 1 7 . 1 1 28 28 CYS N N 28 124.065 124.065 122.171 1.894 18954 2736 1 7 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.505 0.618 18954 2737 1 7 . 1 1 28 28 CYS CA C 28 53.035 53.035 55.985 -2.950 18954 2738 1 7 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.019 -0.840 18954 2739 1 7 . 1 1 28 28 CYS H H 28 8.585 8.585 8.561 0.024 18954 2740 1 7 . 1 1 29 29 SER N N 29 121.076 121.076 122.473 -1.397 18954 2741 1 7 . 1 1 29 29 SER HA H 29 4.160 4.160 4.296 -0.136 18954 2742 1 7 . 1 1 29 29 SER CA C 29 57.073 57.073 59.792 -2.719 18954 2743 1 7 . 1 1 29 29 SER CB C 29 60.725 60.725 61.444 -0.719 18954 2744 1 7 . 1 1 29 29 SER H H 29 8.519 8.519 8.845 -0.326 18954 2745 1 7 . 1 1 30 30 ILE N N 30 117.987 117.987 114.481 3.506 18954 2746 1 7 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.386 -0.078 18954 2747 1 7 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.419 -1.838 18954 2748 1 7 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.487 -2.096 18954 2749 1 7 . 1 1 30 30 ILE H H 30 7.343 7.343 7.291 0.052 18954 2750 1 7 . 1 1 31 31 GLU N N 31 119.585 119.585 124.382 -4.797 18954 2751 1 7 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.416 -0.738 18954 2752 1 7 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.349 -2.125 18954 2753 1 7 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.329 -2.969 18954 2754 1 7 . 1 1 31 31 GLU H H 31 7.901 7.901 8.418 -0.517 18954 2755 1 7 . 1 1 32 32 MET N N 32 126.504 126.504 126.995 -0.491 18954 2756 1 7 . 1 1 32 32 MET HA H 32 4.297 4.297 4.508 -0.211 18954 2757 1 7 . 1 1 32 32 MET CA C 32 50.919 50.919 52.505 -1.586 18954 2758 1 7 . 1 1 32 32 MET CB C 32 32.696 32.696 32.892 -0.197 18954 2759 1 7 . 1 1 32 32 MET H H 32 8.406 8.406 8.080 0.326 18954 2760 1 7 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.364 -0.173 18954 2761 1 7 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.051 -2.284 18954 2762 1 7 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.969 -1.943 18954 2763 1 7 . 1 1 34 34 ASN N N 34 107.313 107.313 114.979 -7.666 18954 2764 1 7 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.032 -0.216 18954 2765 1 7 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.967 -1.995 18954 2766 1 7 . 1 1 34 34 ASN CB C 34 38.137 38.137 41.033 -2.896 18954 2767 1 7 . 1 1 34 34 ASN H H 34 7.077 7.077 8.165 -1.088 18954 2768 1 7 . 1 1 35 35 ILE N N 35 122.015 122.015 121.011 1.004 18954 2769 1 7 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.975 -0.032 18954 2770 1 7 . 1 1 35 35 ILE CA C 35 61.775 61.775 62.877 -1.102 18954 2771 1 7 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.570 -2.180 18954 2772 1 7 . 1 1 35 35 ILE H H 35 9.109 9.109 8.924 0.185 18954 2773 1 7 . 1 1 36 36 SER N N 36 119.851 119.851 116.135 3.716 18954 2774 1 7 . 1 1 36 36 SER HA H 36 4.366 4.366 4.543 -0.177 18954 2775 1 7 . 1 1 36 36 SER CA C 36 59.274 59.274 61.997 -2.723 18954 2776 1 7 . 1 1 36 36 SER CB C 36 59.818 59.818 62.355 -2.537 18954 2777 1 7 . 1 1 36 36 SER H H 36 8.936 8.936 8.634 0.302 18954 2778 1 7 . 1 1 37 37 TYR N N 37 122.338 122.338 121.700 0.638 18954 2779 1 7 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.221 -0.018 18954 2780 1 7 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.525 -3.340 18954 2781 1 7 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.167 -1.774 18954 2782 1 7 . 1 1 37 37 TYR H H 37 7.808 7.808 7.963 -0.155 18954 2783 1 7 . 1 1 38 38 ALA N N 38 120.761 120.761 121.644 -0.883 18954 2784 1 7 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.819 0.052 18954 2785 1 7 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.780 -2.983 18954 2786 1 7 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.785 -1.129 18954 2787 1 7 . 1 1 38 38 ALA H H 38 7.364 7.364 7.851 -0.487 18954 2788 1 7 . 1 1 39 39 TRP N N 39 115.813 115.813 118.686 -2.873 18954 2789 1 7 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.105 -0.029 18954 2790 1 7 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.309 -2.579 18954 2791 1 7 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.167 -1.455 18954 2792 1 7 . 1 1 39 39 TRP H H 39 7.134 7.134 7.746 -0.612 18954 2793 1 7 . 1 1 40 40 LYS N N 40 117.209 117.209 118.241 -1.032 18954 2794 1 7 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.927 -0.078 18954 2795 1 7 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.019 -3.035 18954 2796 1 7 . 1 1 40 40 LYS CB C 40 29.989 29.989 31.907 -1.919 18954 2797 1 7 . 1 1 40 40 LYS H H 40 8.091 8.091 8.611 -0.520 18954 2798 1 7 . 1 1 41 41 GLU N N 41 119.521 119.521 119.240 0.281 18954 2799 1 7 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.904 0.050 18954 2800 1 7 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.061 -3.159 18954 2801 1 7 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.768 -2.846 18954 2802 1 7 . 1 1 41 41 GLU H H 41 6.674 6.674 7.316 -0.642 18954 2803 1 7 . 1 1 42 42 LEU N N 42 117.269 117.269 120.115 -2.846 18954 2804 1 7 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.123 -0.236 18954 2805 1 7 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.064 -2.224 18954 2806 1 7 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.890 -2.052 18954 2807 1 7 . 1 1 42 42 LEU H H 42 7.866 7.866 8.032 -0.166 18954 2808 1 7 . 1 1 43 43 LYS N N 43 117.633 117.633 118.588 -0.955 18954 2809 1 7 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.172 -0.203 18954 2810 1 7 . 1 1 43 43 LYS CA C 43 56.007 56.007 58.979 -2.972 18954 2811 1 7 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.226 -2.134 18954 2812 1 7 . 1 1 43 43 LYS H H 43 8.458 8.458 8.265 0.193 18954 2813 1 7 . 1 1 44 44 GLU N N 44 120.906 120.906 116.745 4.161 18954 2814 1 7 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.104 -0.261 18954 2815 1 7 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.647 -1.692 18954 2816 1 7 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.645 -2.790 18954 2817 1 7 . 1 1 44 44 GLU H H 44 8.013 8.013 7.786 0.227 18954 2818 1 7 . 1 1 45 45 GLN N N 45 113.584 113.584 115.614 -2.030 18954 2819 1 7 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.383 -0.245 18954 2820 1 7 . 1 1 45 45 GLN CA C 45 58.177 58.177 55.854 2.323 18954 2821 1 7 . 1 1 45 45 GLN CB C 45 27.536 27.536 30.425 -2.889 18954 2822 1 7 . 1 1 45 45 GLN H H 45 7.665 7.665 7.597 0.068 18954 2823 1 7 . 1 1 46 46 LEU N N 46 114.594 114.594 118.200 -3.606 18954 2824 1 7 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.541 -0.071 18954 2825 1 7 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.327 -2.398 18954 2826 1 7 . 1 1 46 46 LEU CB C 46 39.636 39.636 43.089 -3.453 18954 2827 1 7 . 1 1 46 46 LEU H H 46 8.652 8.652 8.039 0.613 18954 2828 1 7 . 1 1 47 47 GLY N N 47 110.084 110.084 107.547 2.537 18954 2829 1 7 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.526 -2.687 18954 2830 1 7 . 1 1 47 47 GLY H H 47 7.642 7.642 7.292 0.350 18954 2831 1 7 . 1 1 48 48 GLU N N 48 118.535 118.535 122.088 -3.553 18954 2832 1 7 . 1 1 48 48 GLU HA H 48 3.712 3.712 3.841 -0.129 18954 2833 1 7 . 1 1 48 48 GLU CA C 48 56.422 56.422 59.245 -2.823 18954 2834 1 7 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.736 -2.271 18954 2835 1 7 . 1 1 48 48 GLU H H 48 8.348 8.348 8.848 -0.500 18954 2836 1 7 . 1 1 49 49 GLU N N 49 114.460 114.460 117.001 -2.541 18954 2837 1 7 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.213 0.160 18954 2838 1 7 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.666 -2.253 18954 2839 1 7 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.683 -2.722 18954 2840 1 7 . 1 1 49 49 GLU H H 49 8.498 8.498 8.310 0.188 18954 2841 1 7 . 1 1 50 50 ILE N N 50 121.524 121.524 121.713 -0.189 18954 2842 1 7 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.718 0.384 18954 2843 1 7 . 1 1 50 50 ILE CA C 50 57.703 57.703 63.403 -5.700 18954 2844 1 7 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.232 -2.495 18954 2845 1 7 . 1 1 50 50 ILE H H 50 7.617 7.617 7.336 0.281 18954 2846 1 7 . 1 1 51 51 ASP N N 51 119.881 119.881 119.350 0.531 18954 2847 1 7 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.288 0.012 18954 2848 1 7 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.829 -3.297 18954 2849 1 7 . 1 1 51 51 ASP CB C 51 37.198 37.198 38.843 -1.645 18954 2850 1 7 . 1 1 51 51 ASP H H 51 7.926 7.926 8.442 -0.516 18954 2851 1 7 . 1 1 52 52 SER N N 52 113.164 113.164 115.629 -2.465 18954 2852 1 7 . 1 1 52 52 SER HA H 52 4.403 4.403 4.158 0.245 18954 2853 1 7 . 1 1 52 52 SER CA C 52 56.968 56.968 60.572 -3.604 18954 2854 1 7 . 1 1 52 52 SER CB C 52 61.183 61.183 62.857 -1.674 18954 2855 1 7 . 1 1 52 52 SER H H 52 7.888 7.888 7.657 0.231 18954 2856 1 7 . 1 1 53 53 LYS N N 53 120.411 120.411 119.330 1.081 18954 2857 1 7 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.316 0.138 18954 2858 1 7 . 1 1 53 53 LYS CA C 53 53.813 53.813 57.214 -3.401 18954 2859 1 7 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.460 -1.101 18954 2860 1 7 . 1 1 53 53 LYS H H 53 7.714 7.714 7.976 -0.262 18954 2861 1 7 . 1 1 54 54 VAL N N 54 116.701 116.701 119.013 -2.312 18954 2862 1 7 . 1 1 54 54 VAL HA H 54 4.467 4.467 3.909 0.558 18954 2863 1 7 . 1 1 54 54 VAL CA C 54 59.565 59.565 62.933 -3.368 18954 2864 1 7 . 1 1 54 54 VAL CB C 54 30.833 30.833 32.410 -1.577 18954 2865 1 7 . 1 1 54 54 VAL H H 54 7.041 7.041 7.474 -0.433 18954 2866 1 7 . 1 1 55 55 LYS N N 55 125.891 125.891 124.761 1.130 18954 2867 1 7 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.436 0.312 18954 2868 1 7 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.971 -3.369 18954 2869 1 7 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.446 -0.158 18954 2870 1 7 . 1 1 55 55 LYS H H 55 9.138 9.138 8.163 0.975 18954 2871 1 7 . 1 1 56 56 GLY N N 56 109.312 109.312 108.547 0.765 18954 2872 1 7 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.566 0.149 18954 2873 1 7 . 1 1 56 56 GLY H H 56 8.489 8.489 8.573 -0.084 18954 2874 1 7 . 1 1 57 57 MET N N 57 118.391 118.391 127.661 -9.270 18954 2875 1 7 . 1 1 57 57 MET HA H 57 4.930 4.930 4.487 0.443 18954 2876 1 7 . 1 1 57 57 MET CA C 57 53.906 53.906 56.903 -2.997 18954 2877 1 7 . 1 1 57 57 MET CB C 57 30.841 30.841 33.277 -2.436 18954 2878 1 7 . 1 1 57 57 MET H H 57 8.039 8.039 7.914 0.125 18954 2879 1 7 . 1 1 58 58 VAL N N 58 124.257 124.257 119.285 4.972 18954 2880 1 7 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.702 -0.253 18954 2881 1 7 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.947 -2.897 18954 2882 1 7 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.833 -0.977 18954 2883 1 7 . 1 1 58 58 VAL H H 58 8.780 8.780 8.848 -0.068 18954 2884 1 7 . 1 1 59 59 PHE N N 59 120.512 120.512 121.070 -0.558 18954 2885 1 7 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.548 0.427 18954 2886 1 7 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.355 -2.791 18954 2887 1 7 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.939 -2.249 18954 2888 1 7 . 1 1 59 59 PHE H H 59 8.432 8.432 8.464 -0.032 18954 2889 1 7 . 1 1 60 60 LEU N N 60 120.934 120.934 121.396 -0.462 18954 2890 1 7 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.732 -0.356 18954 2891 1 7 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.507 -2.280 18954 2892 1 7 . 1 1 60 60 LEU CB C 60 40.525 40.525 44.483 -3.958 18954 2893 1 7 . 1 1 60 60 LEU H H 60 8.291 8.291 8.525 -0.234 18954 2894 1 7 . 1 1 61 61 LYS N N 61 122.117 122.117 121.857 0.260 18954 2895 1 7 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.120 -0.139 18954 2896 1 7 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.347 -1.804 18954 2897 1 7 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.386 -2.744 18954 2898 1 7 . 1 1 61 61 LYS H H 61 8.371 8.371 8.708 -0.337 18954 2899 1 7 . 1 1 62 62 GLY N N 62 114.590 114.590 113.335 1.255 18954 2900 1 7 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.658 -1.686 18954 2901 1 7 . 1 1 62 62 GLY H H 62 8.870 8.870 8.588 0.282 18954 2902 1 7 . 1 1 63 63 LYS N N 63 111.406 111.406 117.197 -5.791 18954 2903 1 7 . 1 1 63 63 LYS H H 63 8.129 8.129 7.979 0.150 18954 2904 1 7 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.865 -0.399 18954 2905 1 7 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.080 -1.809 18954 2906 1 7 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.313 -3.857 18954 2907 1 7 . 1 1 65 65 GLY N N 65 105.164 105.164 105.536 -0.372 18954 2908 1 7 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.529 -2.937 18954 2909 1 7 . 1 1 65 65 GLY H H 65 7.375 7.375 7.531 -0.156 18954 2910 1 7 . 1 1 66 66 VAL N N 66 111.490 111.490 117.784 -6.294 18954 2911 1 7 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.711 0.680 18954 2912 1 7 . 1 1 66 66 VAL CA C 66 56.267 56.267 60.209 -3.942 18954 2913 1 7 . 1 1 66 66 VAL CB C 66 34.051 34.051 36.337 -2.285 18954 2914 1 7 . 1 1 66 66 VAL H H 66 9.127 9.127 7.816 1.311 18954 2915 1 7 . 1 1 67 67 CYS N N 67 116.847 116.847 120.288 -3.441 18954 2916 1 7 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.395 0.099 18954 2917 1 7 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.418 -2.548 18954 2918 1 7 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.491 -3.006 18954 2919 1 7 . 1 1 67 67 CYS H H 67 8.914 8.914 8.981 -0.067 18954 2920 1 7 . 1 1 68 68 PHE N N 68 116.013 116.013 114.970 1.043 18954 2921 1 7 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.915 -0.275 18954 2922 1 7 . 1 1 68 68 PHE CA C 68 53.636 53.636 55.848 -2.212 18954 2923 1 7 . 1 1 68 68 PHE CB C 68 36.964 36.964 41.231 -4.267 18954 2924 1 7 . 1 1 68 68 PHE H H 68 8.118 8.118 8.309 -0.191 18954 2925 1 7 . 1 1 69 69 ASP N N 69 119.562 119.562 121.601 -2.039 18954 2926 1 7 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.322 0.415 18954 2927 1 7 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.412 -4.249 18954 2928 1 7 . 1 1 69 69 ASP CB C 69 40.589 40.589 43.090 -2.501 18954 2929 1 7 . 1 1 69 69 ASP H H 69 8.999 8.999 8.551 0.448 18954 2930 1 7 . 1 1 70 70 VAL N N 70 114.283 114.283 116.998 -2.715 18954 2931 1 7 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.821 0.513 18954 2932 1 7 . 1 1 70 70 VAL CA C 70 54.964 54.964 58.026 -3.062 18954 2933 1 7 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.447 -2.911 18954 2934 1 7 . 1 1 70 70 VAL H H 70 8.913 8.913 9.223 -0.310 18954 2935 1 7 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.559 0.668 18954 2936 1 7 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.744 -1.906 18954 2937 1 7 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.750 -2.277 18954 2938 1 7 . 1 1 72 72 THR N N 72 121.039 121.039 119.518 1.521 18954 2939 1 7 . 1 1 72 72 THR HA H 72 3.597 3.597 3.830 -0.233 18954 2940 1 7 . 1 1 72 72 THR CA C 72 63.671 63.671 66.935 -3.264 18954 2941 1 7 . 1 1 72 72 THR CB C 72 65.826 65.826 68.336 -2.510 18954 2942 1 7 . 1 1 72 72 THR H H 72 8.235 8.235 8.622 -0.387 18954 2943 1 7 . 1 1 73 73 ALA N N 73 120.196 120.196 120.275 -0.079 18954 2944 1 7 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.233 -0.090 18954 2945 1 7 . 1 1 73 73 ALA CA C 73 51.471 51.471 53.495 -2.023 18954 2946 1 7 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.140 -2.045 18954 2947 1 7 . 1 1 73 73 ALA H H 73 8.466 8.466 8.298 0.168 18954 2948 1 7 . 1 1 74 74 SER N N 74 112.214 112.214 112.728 -0.514 18954 2949 1 7 . 1 1 74 74 SER HA H 74 4.552 4.552 4.627 -0.075 18954 2950 1 7 . 1 1 74 74 SER CA C 74 57.492 57.492 58.775 -1.283 18954 2951 1 7 . 1 1 74 74 SER CB C 74 62.101 62.101 64.024 -1.923 18954 2952 1 7 . 1 1 74 74 SER H H 74 8.019 8.019 7.956 0.063 18954 2953 1 7 . 1 1 75 75 VAL N N 75 121.652 121.652 124.692 -3.040 18954 2954 1 7 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.654 -0.399 18954 2955 1 7 . 1 1 75 75 VAL CA C 75 65.007 65.007 67.062 -2.055 18954 2956 1 7 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.671 -2.321 18954 2957 1 7 . 1 1 75 75 VAL H H 75 7.222 7.222 8.172 -0.950 18954 2958 1 7 . 1 1 76 76 THR N N 76 113.812 113.812 113.701 0.111 18954 2959 1 7 . 1 1 76 76 THR HA H 76 3.963 3.963 4.002 -0.039 18954 2960 1 7 . 1 1 76 76 THR CA C 76 63.804 63.804 66.454 -2.650 18954 2961 1 7 . 1 1 76 76 THR CB C 76 65.567 65.567 68.407 -2.840 18954 2962 1 7 . 1 1 76 76 THR H H 76 8.107 8.107 7.535 0.572 18954 2963 1 7 . 1 1 77 77 GLU N N 77 121.634 121.634 122.329 -0.695 18954 2964 1 7 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.060 -0.027 18954 2965 1 7 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.869 -3.513 18954 2966 1 7 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.079 -2.047 18954 2967 1 7 . 1 1 77 77 GLU H H 77 7.737 7.737 8.435 -0.698 18954 2968 1 7 . 1 1 78 78 ILE N N 78 119.383 119.383 119.829 -0.446 18954 2969 1 7 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.712 -0.101 18954 2970 1 7 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.155 -2.066 18954 2971 1 7 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.919 -2.304 18954 2972 1 7 . 1 1 78 78 ILE H H 78 7.694 7.694 8.063 -0.369 18954 2973 1 7 . 1 1 79 79 GLN N N 79 116.015 116.015 117.849 -1.834 18954 2974 1 7 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.071 -0.143 18954 2975 1 7 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.932 -2.264 18954 2976 1 7 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.313 -1.906 18954 2977 1 7 . 1 1 79 79 GLN H H 79 8.319 8.319 7.966 0.353 18954 2978 1 7 . 1 1 80 80 GLU N N 80 116.824 116.824 117.187 -0.363 18954 2979 1 7 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.296 -0.229 18954 2980 1 7 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.012 -2.421 18954 2981 1 7 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.486 -2.057 18954 2982 1 7 . 1 1 80 80 GLU H H 80 7.884 7.884 8.459 -0.575 18954 2983 1 7 . 1 1 81 81 LYS N N 81 118.113 118.113 117.427 0.686 18954 2984 1 7 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.494 -0.300 18954 2985 1 7 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.622 -0.779 18954 2986 1 7 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.797 -1.021 18954 2987 1 7 . 1 1 81 81 LYS H H 81 7.396 7.396 7.785 -0.389 18954 2988 1 7 . 1 1 82 82 TRP N N 82 119.572 119.572 122.188 -2.616 18954 2989 1 7 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.484 -0.372 18954 2990 1 7 . 1 1 82 82 TRP CA C 82 55.919 55.919 58.141 -2.222 18954 2991 1 7 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.616 -3.163 18954 2992 1 7 . 1 1 82 82 TRP H H 82 7.966 7.966 7.709 0.257 18954 2993 1 7 . 1 1 83 83 HIS N N 83 126.139 126.139 120.982 5.157 18954 2994 1 7 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.729 -0.065 18954 2995 1 7 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.361 -2.706 18954 2996 1 7 . 1 1 83 83 HIS CB C 83 28.017 28.017 32.748 -4.731 18954 2997 1 7 . 1 1 83 83 HIS H H 83 8.566 8.566 7.070 1.496 18954 2998 1 7 . 1 1 84 84 ASP N N 84 125.751 125.751 122.972 2.779 18954 2999 1 7 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.851 0.148 18954 3000 1 7 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.647 -2.028 18954 3001 1 7 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.567 -1.826 18954 3002 1 7 . 1 1 84 84 ASP H H 84 8.913 8.913 7.685 1.228 18954 3003 1 7 . 1 1 85 85 SER N N 85 116.332 116.332 117.789 -1.457 18954 3004 1 7 . 1 1 85 85 SER HA H 85 4.924 4.924 4.624 0.300 18954 3005 1 7 . 1 1 85 85 SER CA C 85 53.657 53.657 56.981 -3.324 18954 3006 1 7 . 1 1 85 85 SER CB C 85 64.982 64.982 65.303 -0.321 18954 3007 1 7 . 1 1 85 85 SER H H 85 9.621 9.621 8.434 1.187 18954 3008 1 7 . 1 1 86 86 ARG N N 86 118.680 118.680 122.058 -3.378 18954 3009 1 7 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.296 -0.238 18954 3010 1 7 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.950 -3.103 18954 3011 1 7 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.639 -3.507 18954 3012 1 7 . 1 1 86 86 ARG H H 86 8.695 8.695 8.785 -0.090 18954 3013 1 7 . 1 1 87 87 ARG N N 87 117.323 117.323 116.696 0.627 18954 3014 1 7 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.502 -0.226 18954 3015 1 7 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.442 -1.453 18954 3016 1 7 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.247 -2.665 18954 3017 1 7 . 1 1 87 87 ARG H H 87 7.710 7.710 8.331 -0.621 18954 3018 1 7 . 1 1 88 88 TRP N N 88 115.976 115.976 118.159 -2.183 18954 3019 1 7 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.347 0.530 18954 3020 1 7 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.342 -3.931 18954 3021 1 7 . 1 1 88 88 TRP CB C 88 32.110 32.110 31.913 0.198 18954 3022 1 7 . 1 1 88 88 TRP H H 88 7.374 7.374 7.977 -0.603 18954 3023 1 7 . 1 1 89 89 GLN N N 89 118.426 118.426 119.070 -0.644 18954 3024 1 7 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.891 0.636 18954 3025 1 7 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.193 -2.528 18954 3026 1 7 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.825 -2.899 18954 3027 1 7 . 1 1 89 89 GLN H H 89 8.803 8.803 8.592 0.211 18954 3028 1 7 . 1 1 90 90 LEU N N 90 127.680 127.680 123.758 3.922 18954 3029 1 7 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.606 0.623 18954 3030 1 7 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.234 -2.388 18954 3031 1 7 . 1 1 90 90 LEU CB C 90 39.965 39.965 43.733 -3.768 18954 3032 1 7 . 1 1 90 90 LEU H H 90 8.518 8.518 8.358 0.160 18954 3033 1 7 . 1 1 91 91 SER N N 91 121.513 121.513 115.439 6.074 18954 3034 1 7 . 1 1 91 91 SER HA H 91 4.639 4.639 4.718 -0.079 18954 3035 1 7 . 1 1 91 91 SER CA C 91 54.241 54.241 57.175 -2.934 18954 3036 1 7 . 1 1 91 91 SER CB C 91 63.274 63.274 65.513 -2.240 18954 3037 1 7 . 1 1 91 91 SER H H 91 8.979 8.979 8.161 0.818 18954 3038 1 7 . 1 1 92 92 VAL N N 92 120.290 120.290 119.879 0.411 18954 3039 1 7 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.074 0.042 18954 3040 1 7 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.712 0.177 18954 3041 1 7 . 1 1 92 92 VAL CB C 92 30.225 30.225 34.502 -4.277 18954 3042 1 7 . 1 1 92 92 VAL H H 92 8.277 8.277 8.354 -0.077 18954 3043 1 7 . 1 1 93 93 ALA N N 93 130.076 130.076 129.116 0.960 18954 3044 1 7 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.563 -0.384 18954 3045 1 7 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.194 -2.001 18954 3046 1 7 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.433 -2.813 18954 3047 1 7 . 1 1 93 93 ALA H H 93 8.521 8.521 8.461 0.060 18954 3048 1 7 . 1 1 94 94 THR N N 94 113.705 113.705 113.678 0.027 18954 3049 1 7 . 1 1 94 94 THR HA H 94 4.190 4.190 4.306 -0.116 18954 3050 1 7 . 1 1 94 94 THR CA C 94 65.409 65.409 63.366 2.043 18954 3051 1 7 . 1 1 94 94 THR CB C 94 67.702 67.702 68.847 -1.145 18954 3052 1 7 . 1 1 94 94 THR H H 94 8.099 8.099 8.637 -0.538 18954 3053 1 8 . 1 1 3 3 ILE N N 3 123.622 123.622 124.514 -0.892 18954 3054 1 8 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.526 -0.411 18954 3055 1 8 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.298 -2.996 18954 3056 1 8 . 1 1 3 3 ILE CB C 3 36.212 36.212 36.930 -0.718 18954 3057 1 8 . 1 1 3 3 ILE H H 3 8.271 8.271 8.477 -0.206 18954 3058 1 8 . 1 1 4 4 SER N N 4 120.605 120.605 118.931 1.674 18954 3059 1 8 . 1 1 4 4 SER HA H 4 4.368 4.368 4.779 -0.411 18954 3060 1 8 . 1 1 4 4 SER CA C 4 55.796 55.796 57.859 -2.063 18954 3061 1 8 . 1 1 4 4 SER CB C 4 60.945 60.945 65.032 -4.087 18954 3062 1 8 . 1 1 4 4 SER H H 4 8.425 8.425 8.234 0.191 18954 3063 1 8 . 1 1 5 5 GLY N N 5 111.455 111.455 109.239 2.216 18954 3064 1 8 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.597 -1.816 18954 3065 1 8 . 1 1 5 5 GLY H H 5 8.406 8.406 8.251 0.155 18954 3066 1 8 . 1 1 6 6 ALA N N 6 123.660 123.660 124.298 -0.638 18954 3067 1 8 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.534 -0.215 18954 3068 1 8 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.707 -1.813 18954 3069 1 8 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.696 -2.768 18954 3070 1 8 . 1 1 6 6 ALA H H 6 8.103 8.103 8.201 -0.098 18954 3071 1 8 . 1 1 7 7 THR N N 7 113.014 113.014 111.564 1.450 18954 3072 1 8 . 1 1 7 7 THR HA H 7 4.309 4.309 4.686 -0.377 18954 3073 1 8 . 1 1 7 7 THR CA C 7 58.886 58.886 62.277 -3.391 18954 3074 1 8 . 1 1 7 7 THR CB C 7 67.461 67.461 70.146 -2.685 18954 3075 1 8 . 1 1 7 7 THR H H 7 8.108 8.108 7.681 0.427 18954 3076 1 8 . 1 1 8 8 SER N N 8 118.032 118.032 118.226 -0.194 18954 3077 1 8 . 1 1 8 8 SER HA H 8 4.434 4.434 4.763 -0.329 18954 3078 1 8 . 1 1 8 8 SER CA C 8 55.537 55.537 57.405 -1.868 18954 3079 1 8 . 1 1 8 8 SER CB C 8 61.305 61.305 64.155 -2.850 18954 3080 1 8 . 1 1 8 8 SER H H 8 8.222 8.222 8.329 -0.107 18954 3081 1 8 . 1 1 9 9 VAL N N 9 121.129 121.129 119.373 1.756 18954 3082 1 8 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.406 -0.384 18954 3083 1 8 . 1 1 9 9 VAL CA C 9 60.014 60.014 61.997 -1.983 18954 3084 1 8 . 1 1 9 9 VAL CB C 9 30.139 30.139 32.035 -1.896 18954 3085 1 8 . 1 1 9 9 VAL H H 9 8.098 8.098 8.236 -0.138 18954 3086 1 8 . 1 1 10 10 ASP N N 10 123.102 123.102 125.430 -2.328 18954 3087 1 8 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.697 -0.194 18954 3088 1 8 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.353 -2.718 18954 3089 1 8 . 1 1 10 10 ASP CB C 10 38.671 38.671 42.206 -3.535 18954 3090 1 8 . 1 1 10 10 ASP H H 10 8.242 8.242 8.377 -0.135 18954 3091 1 8 . 1 1 11 11 GLN N N 11 121.449 121.449 123.128 -1.679 18954 3092 1 8 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.517 -0.352 18954 3093 1 8 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.836 -2.063 18954 3094 1 8 . 1 1 11 11 GLN CB C 11 26.558 26.558 30.373 -3.815 18954 3095 1 8 . 1 1 11 11 GLN H H 11 8.247 8.247 8.504 -0.257 18954 3096 1 8 . 1 1 12 12 ARG N N 12 121.029 121.029 123.305 -2.276 18954 3097 1 8 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.588 -0.361 18954 3098 1 8 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.602 3.031 18954 3099 1 8 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.159 -2.875 18954 3100 1 8 . 1 1 12 12 ARG H H 12 8.215 8.215 8.684 -0.469 18954 3101 1 8 . 1 1 13 13 SER N N 13 121.168 121.168 112.433 8.735 18954 3102 1 8 . 1 1 13 13 SER HA H 13 4.327 4.327 4.516 -0.190 18954 3103 1 8 . 1 1 13 13 SER CA C 13 56.317 56.317 57.494 -1.177 18954 3104 1 8 . 1 1 13 13 SER CB C 13 61.153 61.153 64.653 -3.499 18954 3105 1 8 . 1 1 13 13 SER H H 13 8.483 8.483 7.670 0.813 18954 3106 1 8 . 1 1 14 14 LEU N N 14 115.731 115.731 121.831 -6.100 18954 3107 1 8 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.163 0.084 18954 3108 1 8 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.878 -4.005 18954 3109 1 8 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.575 -1.886 18954 3110 1 8 . 1 1 14 14 LEU H H 14 8.124 8.124 8.675 -0.551 18954 3111 1 8 . 1 1 15 15 ILE N N 15 119.991 119.991 112.008 7.983 18954 3112 1 8 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.290 -0.293 18954 3113 1 8 . 1 1 15 15 ILE CA C 15 58.840 58.840 59.746 -0.906 18954 3114 1 8 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.263 -1.058 18954 3115 1 8 . 1 1 15 15 ILE H H 15 7.859 7.859 7.475 0.384 18954 3116 1 8 . 1 1 16 16 ASN N N 16 120.780 120.780 120.232 0.548 18954 3117 1 8 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.447 0.266 18954 3118 1 8 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.559 -2.106 18954 3119 1 8 . 1 1 16 16 ASN H H 16 8.014 8.014 7.913 0.101 18954 3120 1 8 . 1 1 17 17 SER N N 17 115.640 115.640 110.005 5.635 18954 3121 1 8 . 1 1 17 17 SER HA H 17 4.300 4.300 4.564 -0.264 18954 3122 1 8 . 1 1 17 17 SER CA C 17 56.001 56.001 57.864 -1.863 18954 3123 1 8 . 1 1 17 17 SER CB C 17 60.894 60.894 63.470 -2.576 18954 3124 1 8 . 1 1 17 17 SER H H 17 8.121 8.121 7.957 0.164 18954 3125 1 8 . 1 1 18 18 ASN N N 18 121.876 121.876 120.305 1.571 18954 3126 1 8 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.814 -0.083 18954 3127 1 8 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.791 -3.498 18954 3128 1 8 . 1 1 18 18 ASN H H 18 8.376 8.376 7.932 0.444 18954 3129 1 8 . 1 1 19 19 VAL N N 19 120.480 120.480 118.079 2.401 18954 3130 1 8 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.656 -0.627 18954 3131 1 8 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.663 -1.315 18954 3132 1 8 . 1 1 19 19 VAL CB C 19 29.903 29.903 35.236 -5.333 18954 3133 1 8 . 1 1 19 19 VAL H H 19 8.022 8.022 7.636 0.387 18954 3134 1 8 . 1 1 20 20 GLY N N 20 112.265 112.265 111.608 0.657 18954 3135 1 8 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.832 -3.134 18954 3136 1 8 . 1 1 20 20 GLY H H 20 8.567 8.567 8.331 0.236 18954 3137 1 8 . 1 1 21 21 PHE N N 21 119.701 119.701 124.774 -5.073 18954 3138 1 8 . 1 1 21 21 PHE HA H 21 5.133 5.133 4.944 0.189 18954 3139 1 8 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.772 -3.414 18954 3140 1 8 . 1 1 21 21 PHE CB C 21 40.894 40.894 40.158 0.736 18954 3141 1 8 . 1 1 21 21 PHE H H 21 7.917 7.917 8.898 -0.981 18954 3142 1 8 . 1 1 22 22 VAL N N 22 120.733 120.733 121.525 -0.792 18954 3143 1 8 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.454 -0.193 18954 3144 1 8 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.758 -2.786 18954 3145 1 8 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.838 -2.760 18954 3146 1 8 . 1 1 22 22 VAL H H 22 9.221 9.221 8.364 0.857 18954 3147 1 8 . 1 1 23 23 THR N N 23 123.388 123.388 120.095 3.293 18954 3148 1 8 . 1 1 23 23 THR HA H 23 4.967 4.967 4.850 0.117 18954 3149 1 8 . 1 1 23 23 THR CA C 23 59.731 59.731 62.339 -2.608 18954 3150 1 8 . 1 1 23 23 THR CB C 23 66.715 66.715 70.070 -3.356 18954 3151 1 8 . 1 1 23 23 THR H H 23 8.403 8.403 8.419 -0.016 18954 3152 1 8 . 1 1 24 24 MET N N 24 125.957 125.957 119.161 6.796 18954 3153 1 8 . 1 1 24 24 MET HA H 24 4.702 4.702 4.586 0.116 18954 3154 1 8 . 1 1 24 24 MET CA C 24 51.056 51.056 54.484 -3.428 18954 3155 1 8 . 1 1 24 24 MET CB C 24 32.115 32.115 35.413 -3.299 18954 3156 1 8 . 1 1 24 24 MET H H 24 9.289 9.289 8.502 0.787 18954 3157 1 8 . 1 1 25 25 ILE N N 25 117.652 117.652 118.881 -1.229 18954 3158 1 8 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.262 0.137 18954 3159 1 8 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.022 -2.263 18954 3160 1 8 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.151 -2.281 18954 3161 1 8 . 1 1 25 25 ILE H H 25 8.572 8.572 8.343 0.229 18954 3162 1 8 . 1 1 26 26 LEU N N 26 130.281 130.281 126.893 3.388 18954 3163 1 8 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.591 0.623 18954 3164 1 8 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.586 -3.475 18954 3165 1 8 . 1 1 26 26 LEU CB C 26 41.363 41.363 43.726 -2.363 18954 3166 1 8 . 1 1 26 26 LEU H H 26 8.901 8.901 8.873 0.028 18954 3167 1 8 . 1 1 27 27 GLN N N 27 125.400 125.400 123.543 1.857 18954 3168 1 8 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.802 -0.029 18954 3169 1 8 . 1 1 27 27 GLN CB C 27 29.511 29.511 31.703 -2.192 18954 3170 1 8 . 1 1 27 27 GLN H H 27 9.330 9.330 8.443 0.887 18954 3171 1 8 . 1 1 28 28 CYS N N 28 124.065 124.065 122.584 1.481 18954 3172 1 8 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.764 0.359 18954 3173 1 8 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.770 -3.736 18954 3174 1 8 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.873 -0.694 18954 3175 1 8 . 1 1 28 28 CYS H H 28 8.585 8.585 8.658 -0.073 18954 3176 1 8 . 1 1 29 29 SER N N 29 121.076 121.076 118.716 2.360 18954 3177 1 8 . 1 1 29 29 SER HA H 29 4.160 4.160 4.234 -0.074 18954 3178 1 8 . 1 1 29 29 SER CA C 29 57.073 57.073 60.067 -2.994 18954 3179 1 8 . 1 1 29 29 SER CB C 29 60.725 60.725 63.076 -2.351 18954 3180 1 8 . 1 1 29 29 SER H H 29 8.519 8.519 8.379 0.140 18954 3181 1 8 . 1 1 30 30 ILE N N 30 117.987 117.987 113.628 4.359 18954 3182 1 8 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.342 -0.034 18954 3183 1 8 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.195 -1.614 18954 3184 1 8 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.584 -2.193 18954 3185 1 8 . 1 1 30 30 ILE H H 30 7.343 7.343 6.901 0.442 18954 3186 1 8 . 1 1 31 31 GLU N N 31 119.585 119.585 122.870 -3.285 18954 3187 1 8 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.319 -0.641 18954 3188 1 8 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.826 -2.602 18954 3189 1 8 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.317 -2.956 18954 3190 1 8 . 1 1 31 31 GLU H H 31 7.901 7.901 8.466 -0.565 18954 3191 1 8 . 1 1 32 32 MET N N 32 126.504 126.504 124.401 2.103 18954 3192 1 8 . 1 1 32 32 MET HA H 32 4.297 4.297 4.512 -0.215 18954 3193 1 8 . 1 1 32 32 MET CA C 32 50.919 50.919 52.736 -1.817 18954 3194 1 8 . 1 1 32 32 MET CB C 32 32.696 32.696 32.373 0.323 18954 3195 1 8 . 1 1 32 32 MET H H 32 8.406 8.406 8.687 -0.281 18954 3196 1 8 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.294 -0.103 18954 3197 1 8 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.075 -2.308 18954 3198 1 8 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.779 -1.753 18954 3199 1 8 . 1 1 34 34 ASN N N 34 107.313 107.313 114.267 -6.954 18954 3200 1 8 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.009 -0.193 18954 3201 1 8 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.912 -1.940 18954 3202 1 8 . 1 1 34 34 ASN CB C 34 38.137 38.137 39.897 -1.760 18954 3203 1 8 . 1 1 34 34 ASN H H 34 7.077 7.077 7.790 -0.713 18954 3204 1 8 . 1 1 35 35 ILE N N 35 122.015 122.015 120.533 1.482 18954 3205 1 8 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.871 0.072 18954 3206 1 8 . 1 1 35 35 ILE CA C 35 61.775 61.775 62.934 -1.159 18954 3207 1 8 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.491 -2.101 18954 3208 1 8 . 1 1 35 35 ILE H H 35 9.109 9.109 8.846 0.263 18954 3209 1 8 . 1 1 36 36 SER N N 36 119.851 119.851 116.411 3.440 18954 3210 1 8 . 1 1 36 36 SER HA H 36 4.366 4.366 4.450 -0.084 18954 3211 1 8 . 1 1 36 36 SER CA C 36 59.274 59.274 61.511 -2.237 18954 3212 1 8 . 1 1 36 36 SER CB C 36 59.818 59.818 62.551 -2.733 18954 3213 1 8 . 1 1 36 36 SER H H 36 8.936 8.936 8.356 0.580 18954 3214 1 8 . 1 1 37 37 TYR N N 37 122.338 122.338 122.368 -0.030 18954 3215 1 8 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.148 0.055 18954 3216 1 8 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.848 -3.663 18954 3217 1 8 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.181 -1.788 18954 3218 1 8 . 1 1 37 37 TYR H H 37 7.808 7.808 8.620 -0.812 18954 3219 1 8 . 1 1 38 38 ALA N N 38 120.761 120.761 121.956 -1.195 18954 3220 1 8 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.854 0.017 18954 3221 1 8 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.958 -3.161 18954 3222 1 8 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.893 -1.237 18954 3223 1 8 . 1 1 38 38 ALA H H 38 7.364 7.364 8.145 -0.781 18954 3224 1 8 . 1 1 39 39 TRP N N 39 115.813 115.813 117.512 -1.699 18954 3225 1 8 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.183 -0.107 18954 3226 1 8 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.473 -2.743 18954 3227 1 8 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.252 -1.540 18954 3228 1 8 . 1 1 39 39 TRP H H 39 7.134 7.134 7.707 -0.573 18954 3229 1 8 . 1 1 40 40 LYS N N 40 117.209 117.209 118.928 -1.719 18954 3230 1 8 . 1 1 40 40 LYS HA H 40 3.849 3.849 4.067 -0.218 18954 3231 1 8 . 1 1 40 40 LYS CA C 40 56.984 56.984 59.575 -2.591 18954 3232 1 8 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.219 -2.230 18954 3233 1 8 . 1 1 40 40 LYS H H 40 8.091 8.091 7.833 0.258 18954 3234 1 8 . 1 1 41 41 GLU N N 41 119.521 119.521 120.610 -1.089 18954 3235 1 8 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.021 -0.067 18954 3236 1 8 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.259 -3.357 18954 3237 1 8 . 1 1 41 41 GLU CB C 41 25.922 25.922 29.012 -3.090 18954 3238 1 8 . 1 1 41 41 GLU H H 41 6.674 6.674 7.542 -0.868 18954 3239 1 8 . 1 1 42 42 LEU N N 42 117.269 117.269 120.421 -3.152 18954 3240 1 8 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.100 -0.213 18954 3241 1 8 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.198 -2.358 18954 3242 1 8 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.818 -1.980 18954 3243 1 8 . 1 1 42 42 LEU H H 42 7.866 7.866 8.102 -0.236 18954 3244 1 8 . 1 1 43 43 LYS N N 43 117.633 117.633 119.153 -1.520 18954 3245 1 8 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.217 -0.248 18954 3246 1 8 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.454 -3.447 18954 3247 1 8 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.220 -2.128 18954 3248 1 8 . 1 1 43 43 LYS H H 43 8.458 8.458 8.368 0.090 18954 3249 1 8 . 1 1 44 44 GLU N N 44 120.906 120.906 119.609 1.297 18954 3250 1 8 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.036 -0.193 18954 3251 1 8 . 1 1 44 44 GLU CA C 44 56.955 56.955 59.066 -2.111 18954 3252 1 8 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.597 -2.742 18954 3253 1 8 . 1 1 44 44 GLU H H 44 8.013 8.013 7.611 0.402 18954 3254 1 8 . 1 1 45 45 GLN N N 45 113.584 113.584 116.807 -3.223 18954 3255 1 8 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.154 -0.016 18954 3256 1 8 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.471 0.706 18954 3257 1 8 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.449 -1.913 18954 3258 1 8 . 1 1 45 45 GLN H H 45 7.665 7.665 8.019 -0.354 18954 3259 1 8 . 1 1 46 46 LEU N N 46 114.594 114.594 116.117 -1.523 18954 3260 1 8 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.454 0.016 18954 3261 1 8 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.644 -2.715 18954 3262 1 8 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.898 -3.261 18954 3263 1 8 . 1 1 46 46 LEU H H 46 8.652 8.652 8.038 0.614 18954 3264 1 8 . 1 1 47 47 GLY N N 47 110.084 110.084 107.516 2.568 18954 3265 1 8 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.464 -2.625 18954 3266 1 8 . 1 1 47 47 GLY H H 47 7.642 7.642 7.418 0.224 18954 3267 1 8 . 1 1 48 48 GLU N N 48 118.535 118.535 121.972 -3.437 18954 3268 1 8 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.084 -0.372 18954 3269 1 8 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.157 -1.735 18954 3270 1 8 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.836 -2.371 18954 3271 1 8 . 1 1 48 48 GLU H H 48 8.348 8.348 8.760 -0.412 18954 3272 1 8 . 1 1 49 49 GLU N N 49 114.460 114.460 117.611 -3.151 18954 3273 1 8 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.353 0.020 18954 3274 1 8 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.383 -1.970 18954 3275 1 8 . 1 1 49 49 GLU CB C 49 25.961 25.961 27.805 -1.844 18954 3276 1 8 . 1 1 49 49 GLU H H 49 8.498 8.498 8.446 0.052 18954 3277 1 8 . 1 1 50 50 ILE N N 50 121.524 121.524 120.448 1.076 18954 3278 1 8 . 1 1 50 50 ILE HA H 50 4.102 4.102 4.259 -0.157 18954 3279 1 8 . 1 1 50 50 ILE CA C 50 57.703 57.703 60.898 -3.195 18954 3280 1 8 . 1 1 50 50 ILE CB C 50 35.737 35.737 41.101 -5.364 18954 3281 1 8 . 1 1 50 50 ILE H H 50 7.617 7.617 7.643 -0.026 18954 3282 1 8 . 1 1 51 51 ASP N N 51 119.881 119.881 120.102 -0.221 18954 3283 1 8 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.534 -0.234 18954 3284 1 8 . 1 1 51 51 ASP CA C 51 53.532 53.532 55.486 -1.954 18954 3285 1 8 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.673 -2.475 18954 3286 1 8 . 1 1 51 51 ASP H H 51 7.926 7.926 8.486 -0.560 18954 3287 1 8 . 1 1 52 52 SER N N 52 113.164 113.164 114.340 -1.176 18954 3288 1 8 . 1 1 52 52 SER HA H 52 4.403 4.403 4.407 -0.004 18954 3289 1 8 . 1 1 52 52 SER CA C 52 56.968 56.968 59.562 -2.594 18954 3290 1 8 . 1 1 52 52 SER CB C 52 61.183 61.183 63.733 -2.550 18954 3291 1 8 . 1 1 52 52 SER H H 52 7.888 7.888 7.850 0.038 18954 3292 1 8 . 1 1 53 53 LYS N N 53 120.411 120.411 120.364 0.047 18954 3293 1 8 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.508 -0.054 18954 3294 1 8 . 1 1 53 53 LYS CA C 53 53.813 53.813 56.132 -2.319 18954 3295 1 8 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.768 -1.409 18954 3296 1 8 . 1 1 53 53 LYS H H 53 7.714 7.714 7.895 -0.181 18954 3297 1 8 . 1 1 54 54 VAL N N 54 116.701 116.701 118.794 -2.093 18954 3298 1 8 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.306 0.161 18954 3299 1 8 . 1 1 54 54 VAL CA C 54 59.565 59.565 61.067 -1.502 18954 3300 1 8 . 1 1 54 54 VAL CB C 54 30.833 30.833 33.482 -2.649 18954 3301 1 8 . 1 1 54 54 VAL H H 54 7.041 7.041 7.692 -0.651 18954 3302 1 8 . 1 1 55 55 LYS N N 55 125.891 125.891 121.668 4.223 18954 3303 1 8 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.586 0.162 18954 3304 1 8 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.945 -3.343 18954 3305 1 8 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.569 -0.281 18954 3306 1 8 . 1 1 55 55 LYS H H 55 9.138 9.138 8.394 0.744 18954 3307 1 8 . 1 1 56 56 GLY N N 56 109.312 109.312 108.993 0.319 18954 3308 1 8 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.149 -0.433 18954 3309 1 8 . 1 1 56 56 GLY H H 56 8.489 8.489 8.497 -0.008 18954 3310 1 8 . 1 1 57 57 MET N N 57 118.391 118.391 126.278 -7.887 18954 3311 1 8 . 1 1 57 57 MET HA H 57 4.930 4.930 4.539 0.391 18954 3312 1 8 . 1 1 57 57 MET CA C 57 53.906 53.906 56.958 -3.052 18954 3313 1 8 . 1 1 57 57 MET CB C 57 30.841 30.841 33.694 -2.853 18954 3314 1 8 . 1 1 57 57 MET H H 57 8.039 8.039 8.071 -0.032 18954 3315 1 8 . 1 1 58 58 VAL N N 58 124.257 124.257 118.629 5.628 18954 3316 1 8 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.748 -0.299 18954 3317 1 8 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.092 -3.042 18954 3318 1 8 . 1 1 58 58 VAL CB C 58 33.856 33.856 35.625 -1.769 18954 3319 1 8 . 1 1 58 58 VAL H H 58 8.780 8.780 8.931 -0.151 18954 3320 1 8 . 1 1 59 59 PHE N N 59 120.512 120.512 119.989 0.523 18954 3321 1 8 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.693 0.282 18954 3322 1 8 . 1 1 59 59 PHE CA C 59 56.564 56.564 58.168 -1.604 18954 3323 1 8 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.728 -2.038 18954 3324 1 8 . 1 1 59 59 PHE H H 59 8.432 8.432 8.421 0.012 18954 3325 1 8 . 1 1 60 60 LEU N N 60 120.934 120.934 126.214 -5.280 18954 3326 1 8 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.384 -0.008 18954 3327 1 8 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.613 -3.386 18954 3328 1 8 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.852 -2.327 18954 3329 1 8 . 1 1 60 60 LEU H H 60 8.291 8.291 8.513 -0.222 18954 3330 1 8 . 1 1 61 61 LYS N N 61 122.117 122.117 122.133 -0.016 18954 3331 1 8 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.154 -0.173 18954 3332 1 8 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.651 -2.108 18954 3333 1 8 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.265 -2.623 18954 3334 1 8 . 1 1 61 61 LYS H H 61 8.371 8.371 8.485 -0.114 18954 3335 1 8 . 1 1 62 62 GLY N N 62 114.590 114.590 113.137 1.453 18954 3336 1 8 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.590 -1.618 18954 3337 1 8 . 1 1 62 62 GLY H H 62 8.870 8.870 8.597 0.273 18954 3338 1 8 . 1 1 63 63 LYS N N 63 111.406 111.406 117.630 -6.224 18954 3339 1 8 . 1 1 63 63 LYS H H 63 8.129 8.129 7.855 0.274 18954 3340 1 8 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.745 -0.279 18954 3341 1 8 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.710 -2.439 18954 3342 1 8 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.372 -3.916 18954 3343 1 8 . 1 1 65 65 GLY N N 65 105.164 105.164 103.986 1.178 18954 3344 1 8 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.392 -2.800 18954 3345 1 8 . 1 1 65 65 GLY H H 65 7.375 7.375 7.547 -0.172 18954 3346 1 8 . 1 1 66 66 VAL N N 66 111.490 111.490 113.977 -2.487 18954 3347 1 8 . 1 1 66 66 VAL HA H 66 5.391 5.391 5.182 0.209 18954 3348 1 8 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.367 -3.100 18954 3349 1 8 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.554 -1.503 18954 3350 1 8 . 1 1 66 66 VAL H H 66 9.127 9.127 8.623 0.504 18954 3351 1 8 . 1 1 67 67 CYS N N 67 116.847 116.847 115.776 1.071 18954 3352 1 8 . 1 1 67 67 CYS HA H 67 5.494 5.494 4.671 0.823 18954 3353 1 8 . 1 1 67 67 CYS CA C 67 52.870 52.870 56.385 -3.514 18954 3354 1 8 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.032 -2.547 18954 3355 1 8 . 1 1 67 67 CYS H H 67 8.914 8.914 8.633 0.281 18954 3356 1 8 . 1 1 68 68 PHE N N 68 116.013 116.013 114.318 1.695 18954 3357 1 8 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.812 -0.172 18954 3358 1 8 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.509 -2.873 18954 3359 1 8 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.326 -3.362 18954 3360 1 8 . 1 1 68 68 PHE H H 68 8.118 8.118 7.782 0.336 18954 3361 1 8 . 1 1 69 69 ASP N N 69 119.562 119.562 120.024 -0.462 18954 3362 1 8 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.381 0.356 18954 3363 1 8 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.047 -3.884 18954 3364 1 8 . 1 1 69 69 ASP CB C 69 40.589 40.589 44.288 -3.699 18954 3365 1 8 . 1 1 69 69 ASP H H 69 8.999 8.999 8.437 0.562 18954 3366 1 8 . 1 1 70 70 VAL N N 70 114.283 114.283 116.992 -2.709 18954 3367 1 8 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.800 0.534 18954 3368 1 8 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.830 -2.865 18954 3369 1 8 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.282 -2.746 18954 3370 1 8 . 1 1 70 70 VAL H H 70 8.913 8.913 8.718 0.195 18954 3371 1 8 . 1 1 71 71 PRO HA H 71 4.227 4.227 2.805 1.422 18954 3372 1 8 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.129 -2.291 18954 3373 1 8 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.690 -2.217 18954 3374 1 8 . 1 1 72 72 THR N N 72 121.039 121.039 116.286 4.753 18954 3375 1 8 . 1 1 72 72 THR HA H 72 3.597 3.597 3.865 -0.268 18954 3376 1 8 . 1 1 72 72 THR CA C 72 63.671 63.671 67.072 -3.401 18954 3377 1 8 . 1 1 72 72 THR CB C 72 65.826 65.826 68.513 -2.687 18954 3378 1 8 . 1 1 72 72 THR H H 72 8.235 8.235 8.198 0.037 18954 3379 1 8 . 1 1 73 73 ALA N N 73 120.196 120.196 122.721 -2.525 18954 3380 1 8 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.157 -0.014 18954 3381 1 8 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.706 -3.235 18954 3382 1 8 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.304 -2.209 18954 3383 1 8 . 1 1 73 73 ALA H H 73 8.466 8.466 8.103 0.363 18954 3384 1 8 . 1 1 74 74 SER N N 74 112.214 112.214 115.125 -2.911 18954 3385 1 8 . 1 1 74 74 SER HA H 74 4.552 4.552 4.152 0.400 18954 3386 1 8 . 1 1 74 74 SER CA C 74 57.492 57.492 61.453 -3.961 18954 3387 1 8 . 1 1 74 74 SER CB C 74 62.101 62.101 63.087 -0.987 18954 3388 1 8 . 1 1 74 74 SER H H 74 8.019 8.019 7.569 0.450 18954 3389 1 8 . 1 1 75 75 VAL N N 75 121.652 121.652 120.576 1.076 18954 3390 1 8 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.628 -0.373 18954 3391 1 8 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.852 -1.845 18954 3392 1 8 . 1 1 75 75 VAL CB C 75 29.350 29.350 30.721 -1.371 18954 3393 1 8 . 1 1 75 75 VAL H H 75 7.222 7.222 7.767 -0.545 18954 3394 1 8 . 1 1 76 76 THR N N 76 113.812 113.812 115.970 -2.158 18954 3395 1 8 . 1 1 76 76 THR HA H 76 3.963 3.963 3.924 0.039 18954 3396 1 8 . 1 1 76 76 THR CA C 76 63.804 63.804 67.647 -3.843 18954 3397 1 8 . 1 1 76 76 THR CB C 76 65.567 65.567 68.410 -2.843 18954 3398 1 8 . 1 1 76 76 THR H H 76 8.107 8.107 7.741 0.366 18954 3399 1 8 . 1 1 77 77 GLU N N 77 121.634 121.634 119.237 2.397 18954 3400 1 8 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.132 -0.099 18954 3401 1 8 . 1 1 77 77 GLU CA C 77 56.356 56.356 58.291 -1.935 18954 3402 1 8 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.457 -2.425 18954 3403 1 8 . 1 1 77 77 GLU H H 77 7.737 7.737 7.627 0.110 18954 3404 1 8 . 1 1 78 78 ILE N N 78 119.383 119.383 117.193 2.190 18954 3405 1 8 . 1 1 78 78 ILE HA H 78 3.611 3.611 4.143 -0.532 18954 3406 1 8 . 1 1 78 78 ILE CA C 78 63.089 63.089 63.109 -0.020 18954 3407 1 8 . 1 1 78 78 ILE CB C 78 35.616 35.616 39.309 -3.693 18954 3408 1 8 . 1 1 78 78 ILE H H 78 7.694 7.694 7.343 0.351 18954 3409 1 8 . 1 1 79 79 GLN N N 79 116.015 116.015 119.809 -3.794 18954 3410 1 8 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.070 -0.142 18954 3411 1 8 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.892 -2.224 18954 3412 1 8 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.406 -1.999 18954 3413 1 8 . 1 1 79 79 GLN H H 79 8.319 8.319 8.150 0.169 18954 3414 1 8 . 1 1 80 80 GLU N N 80 116.824 116.824 116.828 -0.004 18954 3415 1 8 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.294 -0.227 18954 3416 1 8 . 1 1 80 80 GLU CA C 80 55.591 55.591 57.937 -2.346 18954 3417 1 8 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.222 -2.793 18954 3418 1 8 . 1 1 80 80 GLU H H 80 7.884 7.884 8.176 -0.292 18954 3419 1 8 . 1 1 81 81 LYS N N 81 118.113 118.113 117.306 0.807 18954 3420 1 8 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.528 -0.334 18954 3421 1 8 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.376 -0.533 18954 3422 1 8 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.957 -1.181 18954 3423 1 8 . 1 1 81 81 LYS H H 81 7.396 7.396 7.966 -0.570 18954 3424 1 8 . 1 1 82 82 TRP N N 82 119.572 119.572 121.172 -1.600 18954 3425 1 8 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.535 -0.423 18954 3426 1 8 . 1 1 82 82 TRP CA C 82 55.919 55.919 57.061 -1.142 18954 3427 1 8 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.365 -2.912 18954 3428 1 8 . 1 1 82 82 TRP H H 82 7.966 7.966 7.703 0.263 18954 3429 1 8 . 1 1 83 83 HIS N N 83 126.139 126.139 120.533 5.606 18954 3430 1 8 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.603 0.061 18954 3431 1 8 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.831 -3.176 18954 3432 1 8 . 1 1 83 83 HIS CB C 83 28.017 28.017 33.538 -5.521 18954 3433 1 8 . 1 1 83 83 HIS H H 83 8.566 8.566 7.155 1.411 18954 3434 1 8 . 1 1 84 84 ASP N N 84 125.751 125.751 122.961 2.790 18954 3435 1 8 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.813 0.186 18954 3436 1 8 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.068 -2.449 18954 3437 1 8 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.015 -1.274 18954 3438 1 8 . 1 1 84 84 ASP H H 84 8.913 8.913 8.514 0.399 18954 3439 1 8 . 1 1 85 85 SER N N 85 116.332 116.332 118.541 -2.209 18954 3440 1 8 . 1 1 85 85 SER HA H 85 4.924 4.924 4.472 0.452 18954 3441 1 8 . 1 1 85 85 SER CA C 85 53.657 53.657 57.575 -3.918 18954 3442 1 8 . 1 1 85 85 SER CB C 85 64.982 64.982 64.253 0.729 18954 3443 1 8 . 1 1 85 85 SER H H 85 9.621 9.621 8.368 1.253 18954 3444 1 8 . 1 1 86 86 ARG N N 86 118.680 118.680 122.498 -3.818 18954 3445 1 8 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.235 -0.177 18954 3446 1 8 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.449 -2.602 18954 3447 1 8 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.074 -2.942 18954 3448 1 8 . 1 1 86 86 ARG H H 86 8.695 8.695 8.926 -0.231 18954 3449 1 8 . 1 1 87 87 ARG N N 87 117.323 117.323 117.052 0.271 18954 3450 1 8 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.375 -0.099 18954 3451 1 8 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.570 -1.581 18954 3452 1 8 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.225 -2.643 18954 3453 1 8 . 1 1 87 87 ARG H H 87 7.710 7.710 7.664 0.046 18954 3454 1 8 . 1 1 88 88 TRP N N 88 115.976 115.976 118.675 -2.699 18954 3455 1 8 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.332 0.545 18954 3456 1 8 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.643 -4.232 18954 3457 1 8 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.432 -0.322 18954 3458 1 8 . 1 1 88 88 TRP H H 88 7.374 7.374 7.568 -0.194 18954 3459 1 8 . 1 1 89 89 GLN N N 89 118.426 118.426 121.405 -2.979 18954 3460 1 8 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.333 0.194 18954 3461 1 8 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.009 -2.344 18954 3462 1 8 . 1 1 89 89 GLN CB C 89 29.926 29.926 31.205 -1.279 18954 3463 1 8 . 1 1 89 89 GLN H H 89 8.803 8.803 8.725 0.078 18954 3464 1 8 . 1 1 90 90 LEU N N 90 127.680 127.680 125.416 2.264 18954 3465 1 8 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.719 0.510 18954 3466 1 8 . 1 1 90 90 LEU CA C 90 50.846 50.846 54.859 -4.013 18954 3467 1 8 . 1 1 90 90 LEU CB C 90 39.965 39.965 42.340 -2.375 18954 3468 1 8 . 1 1 90 90 LEU H H 90 8.518 8.518 9.326 -0.808 18954 3469 1 8 . 1 1 91 91 SER N N 91 121.513 121.513 110.268 11.245 18954 3470 1 8 . 1 1 91 91 SER HA H 91 4.639 4.639 4.517 0.122 18954 3471 1 8 . 1 1 91 91 SER CA C 91 54.241 54.241 57.809 -3.568 18954 3472 1 8 . 1 1 91 91 SER CB C 91 63.274 63.274 65.083 -1.809 18954 3473 1 8 . 1 1 91 91 SER H H 91 8.979 8.979 8.131 0.848 18954 3474 1 8 . 1 1 92 92 VAL N N 92 120.290 120.290 120.566 -0.276 18954 3475 1 8 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.103 0.013 18954 3476 1 8 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.734 0.155 18954 3477 1 8 . 1 1 92 92 VAL CB C 92 30.225 30.225 33.731 -3.506 18954 3478 1 8 . 1 1 92 92 VAL H H 92 8.277 8.277 8.424 -0.147 18954 3479 1 8 . 1 1 93 93 ALA N N 93 130.076 130.076 126.843 3.233 18954 3480 1 8 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.383 -0.204 18954 3481 1 8 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.473 -2.280 18954 3482 1 8 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.404 -2.784 18954 3483 1 8 . 1 1 93 93 ALA H H 93 8.521 8.521 8.371 0.150 18954 3484 1 8 . 1 1 94 94 THR N N 94 113.705 113.705 112.746 0.959 18954 3485 1 8 . 1 1 94 94 THR HA H 94 4.190 4.190 4.463 -0.273 18954 3486 1 8 . 1 1 94 94 THR CA C 94 65.409 65.409 63.331 2.078 18954 3487 1 8 . 1 1 94 94 THR CB C 94 67.702 67.702 69.593 -1.891 18954 3488 1 8 . 1 1 94 94 THR H H 94 8.099 8.099 8.571 -0.472 18954 3489 1 9 . 1 1 3 3 ILE N N 3 123.622 123.622 117.820 5.802 18954 3490 1 9 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.254 -0.139 18954 3491 1 9 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.571 -3.269 18954 3492 1 9 . 1 1 3 3 ILE CB C 3 36.212 36.212 38.262 -2.050 18954 3493 1 9 . 1 1 3 3 ILE H H 3 8.271 8.271 7.321 0.950 18954 3494 1 9 . 1 1 4 4 SER N N 4 120.605 120.605 115.277 5.328 18954 3495 1 9 . 1 1 4 4 SER HA H 4 4.368 4.368 4.695 -0.327 18954 3496 1 9 . 1 1 4 4 SER CA C 4 55.796 55.796 57.643 -1.847 18954 3497 1 9 . 1 1 4 4 SER CB C 4 60.945 60.945 65.881 -4.936 18954 3498 1 9 . 1 1 4 4 SER H H 4 8.425 8.425 7.369 1.056 18954 3499 1 9 . 1 1 5 5 GLY N N 5 111.455 111.455 108.225 3.230 18954 3500 1 9 . 1 1 5 5 GLY CA C 5 42.781 42.781 45.384 -2.603 18954 3501 1 9 . 1 1 5 5 GLY H H 5 8.406 8.406 8.364 0.042 18954 3502 1 9 . 1 1 6 6 ALA N N 6 123.660 123.660 125.243 -1.583 18954 3503 1 9 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.962 -0.643 18954 3504 1 9 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.583 -2.689 18954 3505 1 9 . 1 1 6 6 ALA CB C 6 16.928 16.928 20.227 -3.299 18954 3506 1 9 . 1 1 6 6 ALA H H 6 8.103 8.103 8.467 -0.364 18954 3507 1 9 . 1 1 7 7 THR N N 7 113.014 113.014 114.894 -1.880 18954 3508 1 9 . 1 1 7 7 THR HA H 7 4.309 4.309 4.510 -0.201 18954 3509 1 9 . 1 1 7 7 THR CA C 7 58.886 58.886 62.357 -3.471 18954 3510 1 9 . 1 1 7 7 THR CB C 7 67.461 67.461 69.829 -2.368 18954 3511 1 9 . 1 1 7 7 THR H H 7 8.108 8.108 7.797 0.311 18954 3512 1 9 . 1 1 8 8 SER N N 8 118.032 118.032 124.704 -6.672 18954 3513 1 9 . 1 1 8 8 SER HA H 8 4.434 4.434 4.679 -0.245 18954 3514 1 9 . 1 1 8 8 SER CA C 8 55.537 55.537 57.658 -2.121 18954 3515 1 9 . 1 1 8 8 SER CB C 8 61.305 61.305 63.075 -1.770 18954 3516 1 9 . 1 1 8 8 SER H H 8 8.222 8.222 8.646 -0.424 18954 3517 1 9 . 1 1 9 9 VAL N N 9 121.129 121.129 122.228 -1.099 18954 3518 1 9 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.149 -0.127 18954 3519 1 9 . 1 1 9 9 VAL CA C 9 60.014 60.014 61.629 -1.615 18954 3520 1 9 . 1 1 9 9 VAL CB C 9 30.139 30.139 29.651 0.488 18954 3521 1 9 . 1 1 9 9 VAL H H 9 8.098 8.098 8.306 -0.208 18954 3522 1 9 . 1 1 10 10 ASP N N 10 123.102 123.102 125.897 -2.795 18954 3523 1 9 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.919 -0.416 18954 3524 1 9 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.018 -2.383 18954 3525 1 9 . 1 1 10 10 ASP CB C 10 38.671 38.671 40.752 -2.081 18954 3526 1 9 . 1 1 10 10 ASP H H 10 8.242 8.242 8.221 0.021 18954 3527 1 9 . 1 1 11 11 GLN N N 11 121.449 121.449 120.177 1.272 18954 3528 1 9 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.517 -0.352 18954 3529 1 9 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.326 -1.553 18954 3530 1 9 . 1 1 11 11 GLN CB C 11 26.558 26.558 29.448 -2.890 18954 3531 1 9 . 1 1 11 11 GLN H H 11 8.247 8.247 7.901 0.346 18954 3532 1 9 . 1 1 12 12 ARG N N 12 121.029 121.029 120.129 0.900 18954 3533 1 9 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.778 -0.551 18954 3534 1 9 . 1 1 12 12 ARG CA C 12 59.634 59.634 55.956 3.678 18954 3535 1 9 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.163 -2.879 18954 3536 1 9 . 1 1 12 12 ARG H H 12 8.215 8.215 8.800 -0.585 18954 3537 1 9 . 1 1 13 13 SER N N 13 121.168 121.168 114.148 7.020 18954 3538 1 9 . 1 1 13 13 SER HA H 13 4.327 4.327 4.730 -0.403 18954 3539 1 9 . 1 1 13 13 SER CA C 13 56.317 56.317 57.616 -1.299 18954 3540 1 9 . 1 1 13 13 SER CB C 13 61.153 61.153 65.683 -4.530 18954 3541 1 9 . 1 1 13 13 SER H H 13 8.483 8.483 7.932 0.551 18954 3542 1 9 . 1 1 14 14 LEU N N 14 115.731 115.731 123.996 -8.265 18954 3543 1 9 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.380 -0.133 18954 3544 1 9 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.072 -3.199 18954 3545 1 9 . 1 1 14 14 LEU CB C 14 39.689 39.689 40.919 -1.230 18954 3546 1 9 . 1 1 14 14 LEU H H 14 8.124 8.124 8.671 -0.547 18954 3547 1 9 . 1 1 15 15 ILE N N 15 119.991 119.991 112.838 7.153 18954 3548 1 9 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.682 -0.685 18954 3549 1 9 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.063 -1.223 18954 3550 1 9 . 1 1 15 15 ILE CB C 15 36.205 36.205 39.382 -3.177 18954 3551 1 9 . 1 1 15 15 ILE H H 15 7.859 7.859 7.542 0.317 18954 3552 1 9 . 1 1 16 16 ASN N N 16 120.780 120.780 122.025 -1.245 18954 3553 1 9 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.491 0.222 18954 3554 1 9 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.307 -1.854 18954 3555 1 9 . 1 1 16 16 ASN H H 16 8.014 8.014 8.235 -0.221 18954 3556 1 9 . 1 1 17 17 SER N N 17 115.640 115.640 112.633 3.007 18954 3557 1 9 . 1 1 17 17 SER HA H 17 4.300 4.300 4.545 -0.245 18954 3558 1 9 . 1 1 17 17 SER CA C 17 56.001 56.001 58.552 -2.551 18954 3559 1 9 . 1 1 17 17 SER CB C 17 60.894 60.894 62.752 -1.858 18954 3560 1 9 . 1 1 17 17 SER H H 17 8.121 8.121 7.917 0.204 18954 3561 1 9 . 1 1 18 18 ASN N N 18 121.876 121.876 120.779 1.097 18954 3562 1 9 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.853 -0.122 18954 3563 1 9 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.403 -3.110 18954 3564 1 9 . 1 1 18 18 ASN H H 18 8.376 8.376 7.677 0.699 18954 3565 1 9 . 1 1 19 19 VAL N N 19 120.480 120.480 122.624 -2.144 18954 3566 1 9 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.153 -0.124 18954 3567 1 9 . 1 1 19 19 VAL CA C 19 60.348 60.348 60.793 -0.445 18954 3568 1 9 . 1 1 19 19 VAL CB C 19 29.903 29.903 34.537 -4.634 18954 3569 1 9 . 1 1 19 19 VAL H H 19 8.022 8.022 7.819 0.203 18954 3570 1 9 . 1 1 20 20 GLY N N 20 112.265 112.265 115.532 -3.267 18954 3571 1 9 . 1 1 20 20 GLY CA C 20 42.698 42.698 46.275 -3.577 18954 3572 1 9 . 1 1 20 20 GLY H H 20 8.567 8.567 8.486 0.081 18954 3573 1 9 . 1 1 21 21 PHE N N 21 119.701 119.701 119.267 0.434 18954 3574 1 9 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.557 -0.424 18954 3575 1 9 . 1 1 21 21 PHE CA C 21 54.358 54.358 56.922 -2.564 18954 3576 1 9 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.504 -2.610 18954 3577 1 9 . 1 1 21 21 PHE H H 21 7.917 7.917 7.985 -0.068 18954 3578 1 9 . 1 1 22 22 VAL N N 22 120.733 120.733 121.210 -0.477 18954 3579 1 9 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.519 -0.258 18954 3580 1 9 . 1 1 22 22 VAL CA C 22 57.972 57.972 59.920 -1.948 18954 3581 1 9 . 1 1 22 22 VAL CB C 22 33.078 33.078 36.233 -3.155 18954 3582 1 9 . 1 1 22 22 VAL H H 22 9.221 9.221 8.966 0.255 18954 3583 1 9 . 1 1 23 23 THR N N 23 123.388 123.388 120.685 2.703 18954 3584 1 9 . 1 1 23 23 THR HA H 23 4.967 4.967 4.691 0.276 18954 3585 1 9 . 1 1 23 23 THR CA C 23 59.731 59.731 62.818 -3.087 18954 3586 1 9 . 1 1 23 23 THR CB C 23 66.715 66.715 69.266 -2.552 18954 3587 1 9 . 1 1 23 23 THR H H 23 8.403 8.403 8.256 0.147 18954 3588 1 9 . 1 1 24 24 MET N N 24 125.957 125.957 123.494 2.463 18954 3589 1 9 . 1 1 24 24 MET HA H 24 4.702 4.702 4.652 0.050 18954 3590 1 9 . 1 1 24 24 MET CA C 24 51.056 51.056 54.645 -3.589 18954 3591 1 9 . 1 1 24 24 MET CB C 24 32.115 32.115 35.314 -3.199 18954 3592 1 9 . 1 1 24 24 MET H H 24 9.289 9.289 8.696 0.593 18954 3593 1 9 . 1 1 25 25 ILE N N 25 117.652 117.652 119.392 -1.740 18954 3594 1 9 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.429 -0.030 18954 3595 1 9 . 1 1 25 25 ILE CA C 25 56.759 56.759 58.941 -2.182 18954 3596 1 9 . 1 1 25 25 ILE CB C 25 37.870 37.870 39.952 -2.082 18954 3597 1 9 . 1 1 25 25 ILE H H 25 8.572 8.572 8.168 0.404 18954 3598 1 9 . 1 1 26 26 LEU N N 26 130.281 130.281 125.520 4.761 18954 3599 1 9 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.700 0.514 18954 3600 1 9 . 1 1 26 26 LEU CA C 26 50.111 50.111 52.992 -2.881 18954 3601 1 9 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.971 -3.608 18954 3602 1 9 . 1 1 26 26 LEU H H 26 8.901 8.901 8.857 0.044 18954 3603 1 9 . 1 1 27 27 GLN N N 27 125.400 125.400 124.116 1.284 18954 3604 1 9 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.785 -0.013 18954 3605 1 9 . 1 1 27 27 GLN CB C 27 29.511 29.511 30.076 -0.565 18954 3606 1 9 . 1 1 27 27 GLN H H 27 9.330 9.330 8.682 0.647 18954 3607 1 9 . 1 1 28 28 CYS N N 28 124.065 124.065 122.109 1.956 18954 3608 1 9 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.824 0.299 18954 3609 1 9 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.366 -3.331 18954 3610 1 9 . 1 1 28 28 CYS CB C 28 29.179 29.179 28.980 0.199 18954 3611 1 9 . 1 1 28 28 CYS H H 28 8.585 8.585 7.915 0.670 18954 3612 1 9 . 1 1 29 29 SER N N 29 121.076 121.076 116.359 4.717 18954 3613 1 9 . 1 1 29 29 SER HA H 29 4.160 4.160 4.386 -0.226 18954 3614 1 9 . 1 1 29 29 SER CA C 29 57.073 57.073 59.185 -2.112 18954 3615 1 9 . 1 1 29 29 SER CB C 29 60.725 60.725 62.955 -2.229 18954 3616 1 9 . 1 1 29 29 SER H H 29 8.519 8.519 8.035 0.484 18954 3617 1 9 . 1 1 30 30 ILE N N 30 117.987 117.987 114.089 3.898 18954 3618 1 9 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.403 -0.095 18954 3619 1 9 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.884 -2.303 18954 3620 1 9 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.376 -1.985 18954 3621 1 9 . 1 1 30 30 ILE H H 30 7.343 7.343 7.033 0.310 18954 3622 1 9 . 1 1 31 31 GLU N N 31 119.585 119.585 121.018 -1.433 18954 3623 1 9 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.394 -0.716 18954 3624 1 9 . 1 1 31 31 GLU CA C 31 54.224 54.224 57.375 -3.151 18954 3625 1 9 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.245 -2.884 18954 3626 1 9 . 1 1 31 31 GLU H H 31 7.901 7.901 8.347 -0.446 18954 3627 1 9 . 1 1 32 32 MET N N 32 126.504 126.504 123.964 2.540 18954 3628 1 9 . 1 1 32 32 MET HA H 32 4.297 4.297 4.142 0.155 18954 3629 1 9 . 1 1 32 32 MET CA C 32 50.919 50.919 52.215 -1.296 18954 3630 1 9 . 1 1 32 32 MET CB C 32 32.696 32.696 33.161 -0.465 18954 3631 1 9 . 1 1 32 32 MET H H 32 8.406 8.406 8.686 -0.280 18954 3632 1 9 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.308 -0.117 18954 3633 1 9 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.105 -2.338 18954 3634 1 9 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.886 -1.860 18954 3635 1 9 . 1 1 34 34 ASN N N 34 107.313 107.313 113.283 -5.970 18954 3636 1 9 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.007 -0.191 18954 3637 1 9 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.632 -1.660 18954 3638 1 9 . 1 1 34 34 ASN CB C 34 38.137 38.137 41.164 -3.027 18954 3639 1 9 . 1 1 34 34 ASN H H 34 7.077 7.077 7.662 -0.585 18954 3640 1 9 . 1 1 35 35 ILE N N 35 122.015 122.015 121.303 0.712 18954 3641 1 9 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.875 0.068 18954 3642 1 9 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.426 -1.651 18954 3643 1 9 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.574 -2.184 18954 3644 1 9 . 1 1 35 35 ILE H H 35 9.109 9.109 8.848 0.261 18954 3645 1 9 . 1 1 36 36 SER N N 36 119.851 119.851 115.873 3.978 18954 3646 1 9 . 1 1 36 36 SER HA H 36 4.366 4.366 4.383 -0.017 18954 3647 1 9 . 1 1 36 36 SER CA C 36 59.274 59.274 61.188 -1.914 18954 3648 1 9 . 1 1 36 36 SER CB C 36 59.818 59.818 62.541 -2.723 18954 3649 1 9 . 1 1 36 36 SER H H 36 8.936 8.936 8.782 0.154 18954 3650 1 9 . 1 1 37 37 TYR N N 37 122.338 122.338 121.844 0.494 18954 3651 1 9 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.179 0.024 18954 3652 1 9 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.493 -3.308 18954 3653 1 9 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.288 -1.895 18954 3654 1 9 . 1 1 37 37 TYR H H 37 7.808 7.808 8.085 -0.277 18954 3655 1 9 . 1 1 38 38 ALA N N 38 120.761 120.761 121.371 -0.610 18954 3656 1 9 . 1 1 38 38 ALA HA H 38 3.871 3.871 4.021 -0.149 18954 3657 1 9 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.743 -2.946 18954 3658 1 9 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.799 -1.143 18954 3659 1 9 . 1 1 38 38 ALA H H 38 7.364 7.364 7.810 -0.446 18954 3660 1 9 . 1 1 39 39 TRP N N 39 115.813 115.813 118.951 -3.138 18954 3661 1 9 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.014 0.062 18954 3662 1 9 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.495 -2.765 18954 3663 1 9 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.288 -1.577 18954 3664 1 9 . 1 1 39 39 TRP H H 39 7.134 7.134 7.584 -0.450 18954 3665 1 9 . 1 1 40 40 LYS N N 40 117.209 117.209 118.437 -1.228 18954 3666 1 9 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.765 0.084 18954 3667 1 9 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.581 -3.597 18954 3668 1 9 . 1 1 40 40 LYS CB C 40 29.989 29.989 31.992 -2.003 18954 3669 1 9 . 1 1 40 40 LYS H H 40 8.091 8.091 8.566 -0.475 18954 3670 1 9 . 1 1 41 41 GLU N N 41 119.521 119.521 118.803 0.718 18954 3671 1 9 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.838 0.116 18954 3672 1 9 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.380 -3.478 18954 3673 1 9 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.813 -2.891 18954 3674 1 9 . 1 1 41 41 GLU H H 41 6.674 6.674 7.327 -0.653 18954 3675 1 9 . 1 1 42 42 LEU N N 42 117.269 117.269 119.879 -2.610 18954 3676 1 9 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.064 -0.177 18954 3677 1 9 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.650 -2.809 18954 3678 1 9 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.767 -1.929 18954 3679 1 9 . 1 1 42 42 LEU H H 42 7.866 7.866 7.913 -0.047 18954 3680 1 9 . 1 1 43 43 LYS N N 43 117.633 117.633 119.782 -2.149 18954 3681 1 9 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.194 -0.225 18954 3682 1 9 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.669 -3.662 18954 3683 1 9 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.238 -2.146 18954 3684 1 9 . 1 1 43 43 LYS H H 43 8.458 8.458 8.437 0.021 18954 3685 1 9 . 1 1 44 44 GLU N N 44 120.906 120.906 119.206 1.700 18954 3686 1 9 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.029 -0.186 18954 3687 1 9 . 1 1 44 44 GLU CA C 44 56.955 56.955 59.245 -2.289 18954 3688 1 9 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.557 -2.702 18954 3689 1 9 . 1 1 44 44 GLU H H 44 8.013 8.013 8.314 -0.301 18954 3690 1 9 . 1 1 45 45 GLN N N 45 113.584 113.584 118.268 -4.684 18954 3691 1 9 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.175 -0.037 18954 3692 1 9 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.606 0.570 18954 3693 1 9 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.336 -1.800 18954 3694 1 9 . 1 1 45 45 GLN H H 45 7.665 7.665 7.827 -0.162 18954 3695 1 9 . 1 1 46 46 LEU N N 46 114.594 114.594 116.609 -2.015 18954 3696 1 9 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.220 0.250 18954 3697 1 9 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.304 -3.375 18954 3698 1 9 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.576 -2.940 18954 3699 1 9 . 1 1 46 46 LEU H H 46 8.652 8.652 8.129 0.523 18954 3700 1 9 . 1 1 47 47 GLY N N 47 110.084 110.084 105.872 4.212 18954 3701 1 9 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.284 -2.445 18954 3702 1 9 . 1 1 47 47 GLY H H 47 7.642 7.642 7.582 0.060 18954 3703 1 9 . 1 1 48 48 GLU N N 48 118.535 118.535 123.075 -4.540 18954 3704 1 9 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.034 -0.322 18954 3705 1 9 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.535 -2.113 18954 3706 1 9 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.728 -2.263 18954 3707 1 9 . 1 1 48 48 GLU H H 48 8.348 8.348 8.831 -0.483 18954 3708 1 9 . 1 1 49 49 GLU N N 49 114.460 114.460 118.116 -3.656 18954 3709 1 9 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.313 0.060 18954 3710 1 9 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.137 -1.724 18954 3711 1 9 . 1 1 49 49 GLU CB C 49 25.961 25.961 29.033 -3.072 18954 3712 1 9 . 1 1 49 49 GLU H H 49 8.498 8.498 8.334 0.164 18954 3713 1 9 . 1 1 50 50 ILE N N 50 121.524 121.524 121.917 -0.393 18954 3714 1 9 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.782 0.320 18954 3715 1 9 . 1 1 50 50 ILE CA C 50 57.703 57.703 63.392 -5.689 18954 3716 1 9 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.450 -2.713 18954 3717 1 9 . 1 1 50 50 ILE H H 50 7.617 7.617 7.346 0.271 18954 3718 1 9 . 1 1 51 51 ASP N N 51 119.881 119.881 118.148 1.733 18954 3719 1 9 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.042 0.258 18954 3720 1 9 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.247 -2.715 18954 3721 1 9 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.543 -2.345 18954 3722 1 9 . 1 1 51 51 ASP H H 51 7.926 7.926 8.274 -0.348 18954 3723 1 9 . 1 1 52 52 SER N N 52 113.164 113.164 114.865 -1.701 18954 3724 1 9 . 1 1 52 52 SER HA H 52 4.403 4.403 4.232 0.171 18954 3725 1 9 . 1 1 52 52 SER CA C 52 56.968 56.968 60.839 -3.871 18954 3726 1 9 . 1 1 52 52 SER CB C 52 61.183 61.183 63.585 -2.402 18954 3727 1 9 . 1 1 52 52 SER H H 52 7.888 7.888 7.632 0.256 18954 3728 1 9 . 1 1 53 53 LYS N N 53 120.411 120.411 119.008 1.403 18954 3729 1 9 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.264 0.190 18954 3730 1 9 . 1 1 53 53 LYS CA C 53 53.813 53.813 57.341 -3.528 18954 3731 1 9 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.109 -0.750 18954 3732 1 9 . 1 1 53 53 LYS H H 53 7.714 7.714 7.872 -0.158 18954 3733 1 9 . 1 1 54 54 VAL N N 54 116.701 116.701 119.823 -3.122 18954 3734 1 9 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.261 0.206 18954 3735 1 9 . 1 1 54 54 VAL CA C 54 59.565 59.565 63.888 -4.323 18954 3736 1 9 . 1 1 54 54 VAL CB C 54 30.833 30.833 32.852 -2.019 18954 3737 1 9 . 1 1 54 54 VAL H H 54 7.041 7.041 7.347 -0.306 18954 3738 1 9 . 1 1 55 55 LYS N N 55 125.891 125.891 124.444 1.447 18954 3739 1 9 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.659 0.089 18954 3740 1 9 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.091 -2.489 18954 3741 1 9 . 1 1 55 55 LYS CB C 55 33.288 33.288 34.193 -0.905 18954 3742 1 9 . 1 1 55 55 LYS H H 55 9.138 9.138 8.457 0.681 18954 3743 1 9 . 1 1 56 56 GLY N N 56 109.312 109.312 109.613 -0.301 18954 3744 1 9 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.882 -0.166 18954 3745 1 9 . 1 1 56 56 GLY H H 56 8.489 8.489 8.561 -0.072 18954 3746 1 9 . 1 1 57 57 MET N N 57 118.391 118.391 127.365 -8.974 18954 3747 1 9 . 1 1 57 57 MET HA H 57 4.930 4.930 4.712 0.218 18954 3748 1 9 . 1 1 57 57 MET CA C 57 53.906 53.906 56.565 -2.659 18954 3749 1 9 . 1 1 57 57 MET CB C 57 30.841 30.841 33.646 -2.805 18954 3750 1 9 . 1 1 57 57 MET H H 57 8.039 8.039 8.089 -0.050 18954 3751 1 9 . 1 1 58 58 VAL N N 58 124.257 124.257 118.804 5.453 18954 3752 1 9 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.702 -0.253 18954 3753 1 9 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.077 -3.026 18954 3754 1 9 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.862 -1.006 18954 3755 1 9 . 1 1 58 58 VAL H H 58 8.780 8.780 9.081 -0.301 18954 3756 1 9 . 1 1 59 59 PHE N N 59 120.512 120.512 122.530 -2.018 18954 3757 1 9 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.487 0.488 18954 3758 1 9 . 1 1 59 59 PHE CA C 59 56.564 56.564 60.484 -3.920 18954 3759 1 9 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.465 -1.776 18954 3760 1 9 . 1 1 59 59 PHE H H 59 8.432 8.432 8.706 -0.274 18954 3761 1 9 . 1 1 60 60 LEU N N 60 120.934 120.934 122.524 -1.590 18954 3762 1 9 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.503 -0.127 18954 3763 1 9 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.629 -2.402 18954 3764 1 9 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.936 -3.411 18954 3765 1 9 . 1 1 60 60 LEU H H 60 8.291 8.291 8.081 0.210 18954 3766 1 9 . 1 1 61 61 LYS N N 61 122.117 122.117 120.832 1.285 18954 3767 1 9 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.082 -0.101 18954 3768 1 9 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.224 -1.681 18954 3769 1 9 . 1 1 61 61 LYS CB C 61 29.642 29.642 30.614 -0.972 18954 3770 1 9 . 1 1 61 61 LYS H H 61 8.371 8.371 8.507 -0.136 18954 3771 1 9 . 1 1 62 62 GLY N N 62 114.590 114.590 112.285 2.305 18954 3772 1 9 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.255 -1.283 18954 3773 1 9 . 1 1 62 62 GLY H H 62 8.870 8.870 7.882 0.988 18954 3774 1 9 . 1 1 63 63 LYS N N 63 111.406 111.406 118.948 -7.542 18954 3775 1 9 . 1 1 63 63 LYS H H 63 8.129 8.129 8.675 -0.546 18954 3776 1 9 . 1 1 64 64 LEU HA H 64 4.466 4.466 5.082 -0.616 18954 3777 1 9 . 1 1 64 64 LEU CA C 64 52.271 52.271 53.851 -1.580 18954 3778 1 9 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.346 -3.890 18954 3779 1 9 . 1 1 65 65 GLY N N 65 105.164 105.164 105.271 -0.107 18954 3780 1 9 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.676 -3.084 18954 3781 1 9 . 1 1 65 65 GLY H H 65 7.375 7.375 7.415 -0.040 18954 3782 1 9 . 1 1 66 66 VAL N N 66 111.490 111.490 118.205 -6.715 18954 3783 1 9 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.963 0.428 18954 3784 1 9 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.913 -3.646 18954 3785 1 9 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.668 -1.617 18954 3786 1 9 . 1 1 66 66 VAL H H 66 9.127 9.127 8.046 1.081 18954 3787 1 9 . 1 1 67 67 CYS N N 67 116.847 116.847 119.269 -2.422 18954 3788 1 9 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.522 -0.028 18954 3789 1 9 . 1 1 67 67 CYS CA C 67 52.870 52.870 56.001 -3.131 18954 3790 1 9 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.664 -3.179 18954 3791 1 9 . 1 1 67 67 CYS H H 67 8.914 8.914 9.022 -0.108 18954 3792 1 9 . 1 1 68 68 PHE N N 68 116.013 116.013 114.740 1.273 18954 3793 1 9 . 1 1 68 68 PHE HA H 68 4.640 4.640 5.002 -0.362 18954 3794 1 9 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.292 -2.656 18954 3795 1 9 . 1 1 68 68 PHE CB C 68 36.964 36.964 41.283 -4.319 18954 3796 1 9 . 1 1 68 68 PHE H H 68 8.118 8.118 8.286 -0.168 18954 3797 1 9 . 1 1 69 69 ASP N N 69 119.562 119.562 121.808 -2.246 18954 3798 1 9 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.611 0.126 18954 3799 1 9 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.585 -4.422 18954 3800 1 9 . 1 1 69 69 ASP CB C 69 40.589 40.589 43.485 -2.896 18954 3801 1 9 . 1 1 69 69 ASP H H 69 8.999 8.999 8.607 0.392 18954 3802 1 9 . 1 1 70 70 VAL N N 70 114.283 114.283 115.927 -1.644 18954 3803 1 9 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.919 0.415 18954 3804 1 9 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.958 -2.994 18954 3805 1 9 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.234 -2.699 18954 3806 1 9 . 1 1 70 70 VAL H H 70 8.913 8.913 9.107 -0.194 18954 3807 1 9 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.772 0.455 18954 3808 1 9 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.662 -1.824 18954 3809 1 9 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.616 -2.143 18954 3810 1 9 . 1 1 72 72 THR N N 72 121.039 121.039 120.628 0.411 18954 3811 1 9 . 1 1 72 72 THR HA H 72 3.597 3.597 3.746 -0.149 18954 3812 1 9 . 1 1 72 72 THR CA C 72 63.671 63.671 67.294 -3.623 18954 3813 1 9 . 1 1 72 72 THR CB C 72 65.826 65.826 68.323 -2.498 18954 3814 1 9 . 1 1 72 72 THR H H 72 8.235 8.235 8.399 -0.164 18954 3815 1 9 . 1 1 73 73 ALA N N 73 120.196 120.196 122.800 -2.604 18954 3816 1 9 . 1 1 73 73 ALA HA H 73 4.143 4.143 3.998 0.145 18954 3817 1 9 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.881 -3.410 18954 3818 1 9 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.993 -1.898 18954 3819 1 9 . 1 1 73 73 ALA H H 73 8.466 8.466 8.499 -0.033 18954 3820 1 9 . 1 1 74 74 SER N N 74 112.214 112.214 114.267 -2.053 18954 3821 1 9 . 1 1 74 74 SER HA H 74 4.552 4.552 4.290 0.262 18954 3822 1 9 . 1 1 74 74 SER CA C 74 57.492 57.492 60.876 -3.384 18954 3823 1 9 . 1 1 74 74 SER CB C 74 62.101 62.101 63.167 -1.066 18954 3824 1 9 . 1 1 74 74 SER H H 74 8.019 8.019 7.611 0.408 18954 3825 1 9 . 1 1 75 75 VAL N N 75 121.652 121.652 122.989 -1.337 18954 3826 1 9 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.706 -0.451 18954 3827 1 9 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.497 -1.490 18954 3828 1 9 . 1 1 75 75 VAL CB C 75 29.350 29.350 30.852 -1.502 18954 3829 1 9 . 1 1 75 75 VAL H H 75 7.222 7.222 8.553 -1.331 18954 3830 1 9 . 1 1 76 76 THR N N 76 113.812 113.812 113.970 -0.158 18954 3831 1 9 . 1 1 76 76 THR HA H 76 3.963 3.963 4.001 -0.038 18954 3832 1 9 . 1 1 76 76 THR CA C 76 63.804 63.804 67.231 -3.427 18954 3833 1 9 . 1 1 76 76 THR CB C 76 65.567 65.567 68.386 -2.819 18954 3834 1 9 . 1 1 76 76 THR H H 76 8.107 8.107 7.657 0.450 18954 3835 1 9 . 1 1 77 77 GLU N N 77 121.634 121.634 119.442 2.192 18954 3836 1 9 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.363 -0.330 18954 3837 1 9 . 1 1 77 77 GLU CA C 77 56.356 56.356 56.809 -0.453 18954 3838 1 9 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.611 -2.579 18954 3839 1 9 . 1 1 77 77 GLU H H 77 7.737 7.737 7.836 -0.099 18954 3840 1 9 . 1 1 78 78 ILE N N 78 119.383 119.383 118.624 0.759 18954 3841 1 9 . 1 1 78 78 ILE HA H 78 3.611 3.611 4.061 -0.450 18954 3842 1 9 . 1 1 78 78 ILE CA C 78 63.089 63.089 62.820 0.269 18954 3843 1 9 . 1 1 78 78 ILE CB C 78 35.616 35.616 39.966 -4.350 18954 3844 1 9 . 1 1 78 78 ILE H H 78 7.694 7.694 7.678 0.016 18954 3845 1 9 . 1 1 79 79 GLN N N 79 116.015 116.015 119.487 -3.472 18954 3846 1 9 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.045 -0.117 18954 3847 1 9 . 1 1 79 79 GLN CA C 79 56.668 56.668 59.438 -2.770 18954 3848 1 9 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.558 -2.151 18954 3849 1 9 . 1 1 79 79 GLN H H 79 8.319 8.319 7.963 0.356 18954 3850 1 9 . 1 1 80 80 GLU N N 80 116.824 116.824 117.320 -0.496 18954 3851 1 9 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.176 -0.109 18954 3852 1 9 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.399 -2.808 18954 3853 1 9 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.379 -1.950 18954 3854 1 9 . 1 1 80 80 GLU H H 80 7.884 7.884 7.810 0.074 18954 3855 1 9 . 1 1 81 81 LYS N N 81 118.113 118.113 116.561 1.552 18954 3856 1 9 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.483 -0.289 18954 3857 1 9 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.301 -0.459 18954 3858 1 9 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.378 -0.602 18954 3859 1 9 . 1 1 81 81 LYS H H 81 7.396 7.396 7.540 -0.144 18954 3860 1 9 . 1 1 82 82 TRP N N 82 119.572 119.572 122.746 -3.174 18954 3861 1 9 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.483 -0.371 18954 3862 1 9 . 1 1 82 82 TRP CA C 82 55.919 55.919 58.091 -2.172 18954 3863 1 9 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.327 -2.874 18954 3864 1 9 . 1 1 82 82 TRP H H 82 7.966 7.966 7.588 0.378 18954 3865 1 9 . 1 1 83 83 HIS N N 83 126.139 126.139 118.446 7.693 18954 3866 1 9 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.613 0.051 18954 3867 1 9 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.914 -3.259 18954 3868 1 9 . 1 1 83 83 HIS CB C 83 28.017 28.017 33.228 -5.211 18954 3869 1 9 . 1 1 83 83 HIS H H 83 8.566 8.566 7.180 1.386 18954 3870 1 9 . 1 1 84 84 ASP N N 84 125.751 125.751 123.897 1.854 18954 3871 1 9 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.965 0.034 18954 3872 1 9 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.316 -1.698 18954 3873 1 9 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.507 -1.766 18954 3874 1 9 . 1 1 84 84 ASP H H 84 8.913 8.913 8.447 0.466 18954 3875 1 9 . 1 1 85 85 SER N N 85 116.332 116.332 119.109 -2.777 18954 3876 1 9 . 1 1 85 85 SER HA H 85 4.924 4.924 4.507 0.417 18954 3877 1 9 . 1 1 85 85 SER CA C 85 53.657 53.657 58.414 -4.757 18954 3878 1 9 . 1 1 85 85 SER CB C 85 64.982 64.982 64.366 0.616 18954 3879 1 9 . 1 1 85 85 SER H H 85 9.621 9.621 8.329 1.292 18954 3880 1 9 . 1 1 86 86 ARG N N 86 118.680 118.680 120.811 -2.131 18954 3881 1 9 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.153 -0.095 18954 3882 1 9 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.268 -2.421 18954 3883 1 9 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.341 -3.209 18954 3884 1 9 . 1 1 86 86 ARG H H 86 8.695 8.695 8.808 -0.113 18954 3885 1 9 . 1 1 87 87 ARG N N 87 117.323 117.323 115.529 1.794 18954 3886 1 9 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.467 -0.191 18954 3887 1 9 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.559 -1.570 18954 3888 1 9 . 1 1 87 87 ARG CB C 87 29.582 29.582 31.679 -2.097 18954 3889 1 9 . 1 1 87 87 ARG H H 87 7.710 7.710 7.967 -0.257 18954 3890 1 9 . 1 1 88 88 TRP N N 88 115.976 115.976 120.971 -4.995 18954 3891 1 9 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.491 0.386 18954 3892 1 9 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.530 -4.119 18954 3893 1 9 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.298 -0.188 18954 3894 1 9 . 1 1 88 88 TRP H H 88 7.374 7.374 7.707 -0.333 18954 3895 1 9 . 1 1 89 89 GLN N N 89 118.426 118.426 119.368 -0.942 18954 3896 1 9 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.777 -0.250 18954 3897 1 9 . 1 1 89 89 GLN CA C 89 52.665 52.665 53.795 -1.130 18954 3898 1 9 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.710 -2.784 18954 3899 1 9 . 1 1 89 89 GLN H H 89 8.803 8.803 9.136 -0.333 18954 3900 1 9 . 1 1 90 90 LEU N N 90 127.680 127.680 120.470 7.210 18954 3901 1 9 . 1 1 90 90 LEU HA H 90 5.229 5.229 5.168 0.061 18954 3902 1 9 . 1 1 90 90 LEU CA C 90 50.846 50.846 52.803 -1.957 18954 3903 1 9 . 1 1 90 90 LEU CB C 90 39.965 39.965 44.897 -4.932 18954 3904 1 9 . 1 1 90 90 LEU H H 90 8.518 8.518 8.573 -0.055 18954 3905 1 9 . 1 1 91 91 SER N N 91 121.513 121.513 113.052 8.461 18954 3906 1 9 . 1 1 91 91 SER HA H 91 4.639 4.639 4.604 0.035 18954 3907 1 9 . 1 1 91 91 SER CA C 91 54.241 54.241 57.931 -3.690 18954 3908 1 9 . 1 1 91 91 SER CB C 91 63.274 63.274 65.392 -2.118 18954 3909 1 9 . 1 1 91 91 SER H H 91 8.979 8.979 8.244 0.735 18954 3910 1 9 . 1 1 92 92 VAL N N 92 120.290 120.290 119.895 0.395 18954 3911 1 9 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.312 -0.196 18954 3912 1 9 . 1 1 92 92 VAL CA C 92 59.889 59.889 60.077 -0.188 18954 3913 1 9 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.304 -5.079 18954 3914 1 9 . 1 1 92 92 VAL H H 92 8.277 8.277 8.259 0.018 18954 3915 1 9 . 1 1 93 93 ALA N N 93 130.076 130.076 130.027 0.049 18954 3916 1 9 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.313 -0.134 18954 3917 1 9 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.950 -2.757 18954 3918 1 9 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.144 -2.524 18954 3919 1 9 . 1 1 93 93 ALA H H 93 8.521 8.521 8.606 -0.085 18954 3920 1 9 . 1 1 94 94 THR N N 94 113.705 113.705 116.557 -2.852 18954 3921 1 9 . 1 1 94 94 THR HA H 94 4.190 4.190 4.191 -0.001 18954 3922 1 9 . 1 1 94 94 THR CA C 94 65.409 65.409 63.810 1.599 18954 3923 1 9 . 1 1 94 94 THR CB C 94 67.702 67.702 69.235 -1.533 18954 3924 1 9 . 1 1 94 94 THR H H 94 8.099 8.099 8.353 -0.254 18954 3925 1 10 . 1 1 3 3 ILE N N 3 123.622 123.622 123.275 0.347 18954 3926 1 10 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.478 -0.363 18954 3927 1 10 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.216 -2.914 18954 3928 1 10 . 1 1 3 3 ILE CB C 3 36.212 36.212 39.637 -3.425 18954 3929 1 10 . 1 1 3 3 ILE H H 3 8.271 8.271 8.412 -0.141 18954 3930 1 10 . 1 1 4 4 SER N N 4 120.605 120.605 122.365 -1.760 18954 3931 1 10 . 1 1 4 4 SER HA H 4 4.368 4.368 5.231 -0.863 18954 3932 1 10 . 1 1 4 4 SER CA C 4 55.796 55.796 57.214 -1.417 18954 3933 1 10 . 1 1 4 4 SER CB C 4 60.945 60.945 65.336 -4.391 18954 3934 1 10 . 1 1 4 4 SER H H 4 8.425 8.425 8.750 -0.325 18954 3935 1 10 . 1 1 5 5 GLY N N 5 111.455 111.455 108.841 2.614 18954 3936 1 10 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.722 -1.941 18954 3937 1 10 . 1 1 5 5 GLY H H 5 8.406 8.406 8.298 0.108 18954 3938 1 10 . 1 1 6 6 ALA N N 6 123.660 123.660 121.038 2.622 18954 3939 1 10 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.551 -0.232 18954 3940 1 10 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.186 -1.292 18954 3941 1 10 . 1 1 6 6 ALA CB C 6 16.928 16.928 20.244 -3.316 18954 3942 1 10 . 1 1 6 6 ALA H H 6 8.103 8.103 8.109 -0.006 18954 3943 1 10 . 1 1 7 7 THR N N 7 113.014 113.014 114.830 -1.816 18954 3944 1 10 . 1 1 7 7 THR HA H 7 4.309 4.309 4.355 -0.046 18954 3945 1 10 . 1 1 7 7 THR CA C 7 58.886 58.886 62.437 -3.551 18954 3946 1 10 . 1 1 7 7 THR CB C 7 67.461 67.461 69.428 -1.967 18954 3947 1 10 . 1 1 7 7 THR H H 7 8.108 8.108 8.019 0.089 18954 3948 1 10 . 1 1 8 8 SER N N 8 118.032 118.032 118.857 -0.825 18954 3949 1 10 . 1 1 8 8 SER HA H 8 4.434 4.434 4.377 0.057 18954 3950 1 10 . 1 1 8 8 SER CA C 8 55.537 55.537 58.588 -3.051 18954 3951 1 10 . 1 1 8 8 SER CB C 8 61.305 61.305 63.805 -2.500 18954 3952 1 10 . 1 1 8 8 SER H H 8 8.222 8.222 8.364 -0.142 18954 3953 1 10 . 1 1 9 9 VAL N N 9 121.129 121.129 117.225 3.904 18954 3954 1 10 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.350 -0.328 18954 3955 1 10 . 1 1 9 9 VAL CA C 9 60.014 60.014 61.961 -1.947 18954 3956 1 10 . 1 1 9 9 VAL CB C 9 30.139 30.139 32.674 -2.535 18954 3957 1 10 . 1 1 9 9 VAL H H 9 8.098 8.098 8.249 -0.151 18954 3958 1 10 . 1 1 10 10 ASP N N 10 123.102 123.102 123.170 -0.068 18954 3959 1 10 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.525 -0.022 18954 3960 1 10 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.830 -3.195 18954 3961 1 10 . 1 1 10 10 ASP CB C 10 38.671 38.671 39.414 -0.743 18954 3962 1 10 . 1 1 10 10 ASP H H 10 8.242 8.242 8.672 -0.430 18954 3963 1 10 . 1 1 11 11 GLN N N 11 121.449 121.449 116.433 5.016 18954 3964 1 10 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.626 -0.461 18954 3965 1 10 . 1 1 11 11 GLN CA C 11 53.773 53.773 54.740 -0.967 18954 3966 1 10 . 1 1 11 11 GLN CB C 11 26.558 26.558 29.553 -2.995 18954 3967 1 10 . 1 1 11 11 GLN H H 11 8.247 8.247 7.879 0.368 18954 3968 1 10 . 1 1 12 12 ARG N N 12 121.029 121.029 120.622 0.407 18954 3969 1 10 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.216 0.011 18954 3970 1 10 . 1 1 12 12 ARG CA C 12 59.634 59.634 57.753 1.881 18954 3971 1 10 . 1 1 12 12 ARG CB C 12 28.284 28.284 30.638 -2.354 18954 3972 1 10 . 1 1 12 12 ARG H H 12 8.215 8.215 8.725 -0.510 18954 3973 1 10 . 1 1 13 13 SER N N 13 121.168 121.168 112.029 9.139 18954 3974 1 10 . 1 1 13 13 SER HA H 13 4.327 4.327 4.507 -0.180 18954 3975 1 10 . 1 1 13 13 SER CA C 13 56.317 56.317 57.076 -0.759 18954 3976 1 10 . 1 1 13 13 SER CB C 13 61.153 61.153 65.061 -3.908 18954 3977 1 10 . 1 1 13 13 SER H H 13 8.483 8.483 7.590 0.893 18954 3978 1 10 . 1 1 14 14 LEU N N 14 115.731 115.731 120.885 -5.154 18954 3979 1 10 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.175 0.072 18954 3980 1 10 . 1 1 14 14 LEU CA C 14 52.873 52.873 57.075 -4.202 18954 3981 1 10 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.809 -2.120 18954 3982 1 10 . 1 1 14 14 LEU H H 14 8.124 8.124 8.616 -0.492 18954 3983 1 10 . 1 1 15 15 ILE N N 15 119.991 119.991 112.455 7.536 18954 3984 1 10 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.362 -0.365 18954 3985 1 10 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.945 -2.105 18954 3986 1 10 . 1 1 15 15 ILE CB C 15 36.205 36.205 36.839 -0.634 18954 3987 1 10 . 1 1 15 15 ILE H H 15 7.859 7.859 7.741 0.118 18954 3988 1 10 . 1 1 16 16 ASN N N 16 120.780 120.780 120.629 0.151 18954 3989 1 10 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.450 0.263 18954 3990 1 10 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.562 -2.109 18954 3991 1 10 . 1 1 16 16 ASN H H 16 8.014 8.014 7.992 0.022 18954 3992 1 10 . 1 1 17 17 SER N N 17 115.640 115.640 110.410 5.230 18954 3993 1 10 . 1 1 17 17 SER HA H 17 4.300 4.300 4.472 -0.172 18954 3994 1 10 . 1 1 17 17 SER CA C 17 56.001 56.001 57.660 -1.659 18954 3995 1 10 . 1 1 17 17 SER CB C 17 60.894 60.894 64.782 -3.888 18954 3996 1 10 . 1 1 17 17 SER H H 17 8.121 8.121 8.096 0.025 18954 3997 1 10 . 1 1 18 18 ASN N N 18 121.876 121.876 120.197 1.679 18954 3998 1 10 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.866 -0.135 18954 3999 1 10 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.872 -3.579 18954 4000 1 10 . 1 1 18 18 ASN H H 18 8.376 8.376 8.032 0.344 18954 4001 1 10 . 1 1 19 19 VAL N N 19 120.480 120.480 122.992 -2.512 18954 4002 1 10 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.159 -0.130 18954 4003 1 10 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.474 -1.125 18954 4004 1 10 . 1 1 19 19 VAL CB C 19 29.903 29.903 33.997 -4.094 18954 4005 1 10 . 1 1 19 19 VAL H H 19 8.022 8.022 8.182 -0.160 18954 4006 1 10 . 1 1 20 20 GLY N N 20 112.265 112.265 114.917 -2.652 18954 4007 1 10 . 1 1 20 20 GLY CA C 20 42.698 42.698 46.199 -3.501 18954 4008 1 10 . 1 1 20 20 GLY H H 20 8.567 8.567 8.658 -0.091 18954 4009 1 10 . 1 1 21 21 PHE N N 21 119.701 119.701 119.336 0.365 18954 4010 1 10 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.530 -0.397 18954 4011 1 10 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.203 -2.845 18954 4012 1 10 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.736 -2.841 18954 4013 1 10 . 1 1 21 21 PHE H H 21 7.917 7.917 8.137 -0.220 18954 4014 1 10 . 1 1 22 22 VAL N N 22 120.733 120.733 119.714 1.019 18954 4015 1 10 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.401 -0.140 18954 4016 1 10 . 1 1 22 22 VAL CA C 22 57.972 57.972 59.713 -1.741 18954 4017 1 10 . 1 1 22 22 VAL CB C 22 33.078 33.078 36.825 -3.747 18954 4018 1 10 . 1 1 22 22 VAL H H 22 9.221 9.221 9.022 0.199 18954 4019 1 10 . 1 1 23 23 THR N N 23 123.388 123.388 122.365 1.023 18954 4020 1 10 . 1 1 23 23 THR HA H 23 4.967 4.967 4.520 0.447 18954 4021 1 10 . 1 1 23 23 THR CA C 23 59.731 59.731 64.151 -4.420 18954 4022 1 10 . 1 1 23 23 THR CB C 23 66.715 66.715 69.456 -2.741 18954 4023 1 10 . 1 1 23 23 THR H H 23 8.403 8.403 8.465 -0.062 18954 4024 1 10 . 1 1 24 24 MET N N 24 125.957 125.957 122.091 3.866 18954 4025 1 10 . 1 1 24 24 MET HA H 24 4.702 4.702 4.944 -0.242 18954 4026 1 10 . 1 1 24 24 MET CA C 24 51.056 51.056 54.279 -3.223 18954 4027 1 10 . 1 1 24 24 MET CB C 24 32.115 32.115 36.100 -3.985 18954 4028 1 10 . 1 1 24 24 MET H H 24 9.289 9.289 8.646 0.643 18954 4029 1 10 . 1 1 25 25 ILE N N 25 117.652 117.652 120.259 -2.607 18954 4030 1 10 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.479 -0.080 18954 4031 1 10 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.319 -2.560 18954 4032 1 10 . 1 1 25 25 ILE CB C 25 37.870 37.870 38.779 -0.909 18954 4033 1 10 . 1 1 25 25 ILE H H 25 8.572 8.572 8.040 0.532 18954 4034 1 10 . 1 1 26 26 LEU N N 26 130.281 130.281 127.277 3.004 18954 4035 1 10 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.783 0.431 18954 4036 1 10 . 1 1 26 26 LEU CA C 26 50.111 50.111 52.825 -2.714 18954 4037 1 10 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.863 -3.500 18954 4038 1 10 . 1 1 26 26 LEU H H 26 8.901 8.901 9.027 -0.126 18954 4039 1 10 . 1 1 27 27 GLN N N 27 125.400 125.400 122.017 3.383 18954 4040 1 10 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.943 -0.170 18954 4041 1 10 . 1 1 27 27 GLN CB C 27 29.511 29.511 32.556 -3.045 18954 4042 1 10 . 1 1 27 27 GLN H H 27 9.330 9.330 8.986 0.344 18954 4043 1 10 . 1 1 28 28 CYS N N 28 124.065 124.065 122.080 1.985 18954 4044 1 10 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.997 0.126 18954 4045 1 10 . 1 1 28 28 CYS CA C 28 53.035 53.035 55.258 -2.223 18954 4046 1 10 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.497 -1.319 18954 4047 1 10 . 1 1 28 28 CYS H H 28 8.585 8.585 8.310 0.275 18954 4048 1 10 . 1 1 29 29 SER N N 29 121.076 121.076 117.196 3.880 18954 4049 1 10 . 1 1 29 29 SER HA H 29 4.160 4.160 4.328 -0.168 18954 4050 1 10 . 1 1 29 29 SER CA C 29 57.073 57.073 59.296 -2.223 18954 4051 1 10 . 1 1 29 29 SER CB C 29 60.725 60.725 62.699 -1.974 18954 4052 1 10 . 1 1 29 29 SER H H 29 8.519 8.519 8.177 0.342 18954 4053 1 10 . 1 1 30 30 ILE N N 30 117.987 117.987 114.588 3.399 18954 4054 1 10 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.534 -0.226 18954 4055 1 10 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.152 -1.571 18954 4056 1 10 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.208 -1.817 18954 4057 1 10 . 1 1 30 30 ILE H H 30 7.343 7.343 7.133 0.210 18954 4058 1 10 . 1 1 31 31 GLU N N 31 119.585 119.585 120.880 -1.295 18954 4059 1 10 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.342 -0.664 18954 4060 1 10 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.764 -2.540 18954 4061 1 10 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.575 -3.214 18954 4062 1 10 . 1 1 31 31 GLU H H 31 7.901 7.901 8.313 -0.412 18954 4063 1 10 . 1 1 32 32 MET N N 32 126.504 126.504 125.679 0.825 18954 4064 1 10 . 1 1 32 32 MET HA H 32 4.297 4.297 4.949 -0.652 18954 4065 1 10 . 1 1 32 32 MET CA C 32 50.919 50.919 53.405 -2.486 18954 4066 1 10 . 1 1 32 32 MET CB C 32 32.696 32.696 32.217 0.479 18954 4067 1 10 . 1 1 32 32 MET H H 32 8.406 8.406 8.814 -0.408 18954 4068 1 10 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.325 -0.134 18954 4069 1 10 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.540 -2.773 18954 4070 1 10 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.854 -1.827 18954 4071 1 10 . 1 1 34 34 ASN N N 34 107.313 107.313 113.774 -6.461 18954 4072 1 10 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.045 -0.229 18954 4073 1 10 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.644 -1.672 18954 4074 1 10 . 1 1 34 34 ASN CB C 34 38.137 38.137 41.463 -3.326 18954 4075 1 10 . 1 1 34 34 ASN H H 34 7.077 7.077 8.064 -0.987 18954 4076 1 10 . 1 1 35 35 ILE N N 35 122.015 122.015 124.000 -1.985 18954 4077 1 10 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.807 0.136 18954 4078 1 10 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.472 -1.697 18954 4079 1 10 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.286 -1.896 18954 4080 1 10 . 1 1 35 35 ILE H H 35 9.109 9.109 9.170 -0.061 18954 4081 1 10 . 1 1 36 36 SER N N 36 119.851 119.851 116.264 3.587 18954 4082 1 10 . 1 1 36 36 SER HA H 36 4.366 4.366 4.198 0.168 18954 4083 1 10 . 1 1 36 36 SER CA C 36 59.274 59.274 61.436 -2.162 18954 4084 1 10 . 1 1 36 36 SER CB C 36 59.818 59.818 62.559 -2.741 18954 4085 1 10 . 1 1 36 36 SER H H 36 8.936 8.936 8.350 0.586 18954 4086 1 10 . 1 1 37 37 TYR N N 37 122.338 122.338 121.732 0.606 18954 4087 1 10 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.220 -0.017 18954 4088 1 10 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.161 -2.976 18954 4089 1 10 . 1 1 37 37 TYR CB C 37 36.393 36.393 37.945 -1.552 18954 4090 1 10 . 1 1 37 37 TYR H H 37 7.808 7.808 7.931 -0.123 18954 4091 1 10 . 1 1 38 38 ALA N N 38 120.761 120.761 122.140 -1.379 18954 4092 1 10 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.912 -0.041 18954 4093 1 10 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.993 -3.196 18954 4094 1 10 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.705 -1.049 18954 4095 1 10 . 1 1 38 38 ALA H H 38 7.364 7.364 7.799 -0.435 18954 4096 1 10 . 1 1 39 39 TRP N N 39 115.813 115.813 119.103 -3.290 18954 4097 1 10 . 1 1 39 39 TRP HA H 39 4.076 4.076 3.987 0.089 18954 4098 1 10 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.349 -2.619 18954 4099 1 10 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.298 -1.586 18954 4100 1 10 . 1 1 39 39 TRP H H 39 7.134 7.134 7.522 -0.388 18954 4101 1 10 . 1 1 40 40 LYS N N 40 117.209 117.209 118.844 -1.635 18954 4102 1 10 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.763 0.086 18954 4103 1 10 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.261 -3.277 18954 4104 1 10 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.188 -2.200 18954 4105 1 10 . 1 1 40 40 LYS H H 40 8.091 8.091 8.648 -0.557 18954 4106 1 10 . 1 1 41 41 GLU N N 41 119.521 119.521 119.004 0.517 18954 4107 1 10 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.908 0.046 18954 4108 1 10 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.089 -3.187 18954 4109 1 10 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.584 -2.662 18954 4110 1 10 . 1 1 41 41 GLU H H 41 6.674 6.674 7.487 -0.813 18954 4111 1 10 . 1 1 42 42 LEU N N 42 117.269 117.269 120.589 -3.320 18954 4112 1 10 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.176 -0.289 18954 4113 1 10 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.011 -2.171 18954 4114 1 10 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.657 -1.819 18954 4115 1 10 . 1 1 42 42 LEU H H 42 7.866 7.866 8.242 -0.376 18954 4116 1 10 . 1 1 43 43 LYS N N 43 117.633 117.633 120.274 -2.641 18954 4117 1 10 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.272 -0.303 18954 4118 1 10 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.916 -3.909 18954 4119 1 10 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.244 -2.152 18954 4120 1 10 . 1 1 43 43 LYS H H 43 8.458 8.458 8.402 0.056 18954 4121 1 10 . 1 1 44 44 GLU N N 44 120.906 120.906 118.199 2.707 18954 4122 1 10 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.069 -0.226 18954 4123 1 10 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.752 -1.797 18954 4124 1 10 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.328 -2.473 18954 4125 1 10 . 1 1 44 44 GLU H H 44 8.013 8.013 8.353 -0.340 18954 4126 1 10 . 1 1 45 45 GLN N N 45 113.584 113.584 118.041 -4.457 18954 4127 1 10 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.106 0.032 18954 4128 1 10 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.517 0.660 18954 4129 1 10 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.146 -1.610 18954 4130 1 10 . 1 1 45 45 GLN H H 45 7.665 7.665 8.145 -0.480 18954 4131 1 10 . 1 1 46 46 LEU N N 46 114.594 114.594 116.535 -1.941 18954 4132 1 10 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.297 0.173 18954 4133 1 10 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.389 -3.460 18954 4134 1 10 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.992 -3.356 18954 4135 1 10 . 1 1 46 46 LEU H H 46 8.652 8.652 8.019 0.633 18954 4136 1 10 . 1 1 47 47 GLY N N 47 110.084 110.084 107.476 2.608 18954 4137 1 10 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.332 -2.493 18954 4138 1 10 . 1 1 47 47 GLY H H 47 7.642 7.642 7.881 -0.239 18954 4139 1 10 . 1 1 48 48 GLU N N 48 118.535 118.535 120.454 -1.919 18954 4140 1 10 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.097 -0.385 18954 4141 1 10 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.568 -2.146 18954 4142 1 10 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.885 -2.420 18954 4143 1 10 . 1 1 48 48 GLU H H 48 8.348 8.348 8.819 -0.471 18954 4144 1 10 . 1 1 49 49 GLU N N 49 114.460 114.460 118.885 -4.425 18954 4145 1 10 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.419 -0.046 18954 4146 1 10 . 1 1 49 49 GLU CA C 49 54.413 54.413 55.993 -1.580 18954 4147 1 10 . 1 1 49 49 GLU CB C 49 25.961 25.961 27.932 -1.971 18954 4148 1 10 . 1 1 49 49 GLU H H 49 8.498 8.498 8.288 0.210 18954 4149 1 10 . 1 1 50 50 ILE N N 50 121.524 121.524 120.508 1.016 18954 4150 1 10 . 1 1 50 50 ILE HA H 50 4.102 4.102 4.295 -0.193 18954 4151 1 10 . 1 1 50 50 ILE CA C 50 57.703 57.703 61.173 -3.470 18954 4152 1 10 . 1 1 50 50 ILE CB C 50 35.737 35.737 39.532 -3.795 18954 4153 1 10 . 1 1 50 50 ILE H H 50 7.617 7.617 7.635 -0.018 18954 4154 1 10 . 1 1 51 51 ASP N N 51 119.881 119.881 121.527 -1.646 18954 4155 1 10 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.622 -0.322 18954 4156 1 10 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.610 -3.078 18954 4157 1 10 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.706 -2.508 18954 4158 1 10 . 1 1 51 51 ASP H H 51 7.926 7.926 8.755 -0.829 18954 4159 1 10 . 1 1 52 52 SER N N 52 113.164 113.164 115.028 -1.864 18954 4160 1 10 . 1 1 52 52 SER HA H 52 4.403 4.403 4.451 -0.048 18954 4161 1 10 . 1 1 52 52 SER CA C 52 56.968 56.968 60.672 -3.704 18954 4162 1 10 . 1 1 52 52 SER CB C 52 61.183 61.183 63.446 -2.263 18954 4163 1 10 . 1 1 52 52 SER H H 52 7.888 7.888 8.072 -0.184 18954 4164 1 10 . 1 1 53 53 LYS N N 53 120.411 120.411 120.103 0.308 18954 4165 1 10 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.584 -0.130 18954 4166 1 10 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.854 -2.041 18954 4167 1 10 . 1 1 53 53 LYS CB C 53 32.359 32.359 31.710 0.649 18954 4168 1 10 . 1 1 53 53 LYS H H 53 7.714 7.714 7.870 -0.156 18954 4169 1 10 . 1 1 54 54 VAL N N 54 116.701 116.701 118.023 -1.322 18954 4170 1 10 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.981 -0.514 18954 4171 1 10 . 1 1 54 54 VAL CA C 54 59.565 59.565 59.837 -0.272 18954 4172 1 10 . 1 1 54 54 VAL CB C 54 30.833 30.833 34.976 -4.143 18954 4173 1 10 . 1 1 54 54 VAL H H 54 7.041 7.041 7.422 -0.381 18954 4174 1 10 . 1 1 55 55 LYS N N 55 125.891 125.891 123.172 2.719 18954 4175 1 10 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.766 -0.018 18954 4176 1 10 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.622 -3.020 18954 4177 1 10 . 1 1 55 55 LYS CB C 55 33.288 33.288 35.502 -2.214 18954 4178 1 10 . 1 1 55 55 LYS H H 55 9.138 9.138 8.865 0.273 18954 4179 1 10 . 1 1 56 56 GLY N N 56 109.312 109.312 110.058 -0.746 18954 4180 1 10 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.826 -1.110 18954 4181 1 10 . 1 1 56 56 GLY H H 56 8.489 8.489 8.807 -0.318 18954 4182 1 10 . 1 1 57 57 MET N N 57 118.391 118.391 121.399 -3.008 18954 4183 1 10 . 1 1 57 57 MET HA H 57 4.930 4.930 4.744 0.186 18954 4184 1 10 . 1 1 57 57 MET CA C 57 53.906 53.906 55.707 -1.801 18954 4185 1 10 . 1 1 57 57 MET CB C 57 30.841 30.841 32.895 -2.054 18954 4186 1 10 . 1 1 57 57 MET H H 57 8.039 8.039 8.044 -0.005 18954 4187 1 10 . 1 1 58 58 VAL N N 58 124.257 124.257 121.666 2.591 18954 4188 1 10 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.730 -0.281 18954 4189 1 10 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.354 -2.304 18954 4190 1 10 . 1 1 58 58 VAL CB C 58 33.856 33.856 33.995 -0.139 18954 4191 1 10 . 1 1 58 58 VAL H H 58 8.780 8.780 8.666 0.114 18954 4192 1 10 . 1 1 59 59 PHE N N 59 120.512 120.512 122.656 -2.144 18954 4193 1 10 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.552 0.423 18954 4194 1 10 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.946 -3.382 18954 4195 1 10 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.585 -1.895 18954 4196 1 10 . 1 1 59 59 PHE H H 59 8.432 8.432 8.656 -0.224 18954 4197 1 10 . 1 1 60 60 LEU N N 60 120.934 120.934 123.348 -2.414 18954 4198 1 10 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.531 -0.155 18954 4199 1 10 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.834 -2.607 18954 4200 1 10 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.628 -3.103 18954 4201 1 10 . 1 1 60 60 LEU H H 60 8.291 8.291 8.228 0.063 18954 4202 1 10 . 1 1 61 61 LYS N N 61 122.117 122.117 120.581 1.536 18954 4203 1 10 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.046 -0.065 18954 4204 1 10 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.594 -2.051 18954 4205 1 10 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.802 -3.160 18954 4206 1 10 . 1 1 61 61 LYS H H 61 8.371 8.371 8.331 0.040 18954 4207 1 10 . 1 1 62 62 GLY N N 62 114.590 114.590 114.862 -0.272 18954 4208 1 10 . 1 1 62 62 GLY CA C 62 42.972 42.972 45.082 -2.110 18954 4209 1 10 . 1 1 62 62 GLY H H 62 8.870 8.870 8.652 0.218 18954 4210 1 10 . 1 1 63 63 LYS N N 63 111.406 111.406 122.475 -11.069 18954 4211 1 10 . 1 1 63 63 LYS H H 63 8.129 8.129 8.438 -0.309 18954 4212 1 10 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.950 -0.484 18954 4213 1 10 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.213 -1.942 18954 4214 1 10 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.590 -4.134 18954 4215 1 10 . 1 1 65 65 GLY N N 65 105.164 105.164 105.354 -0.190 18954 4216 1 10 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.326 -2.734 18954 4217 1 10 . 1 1 65 65 GLY H H 65 7.375 7.375 7.427 -0.052 18954 4218 1 10 . 1 1 66 66 VAL N N 66 111.490 111.490 118.215 -6.725 18954 4219 1 10 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.865 0.526 18954 4220 1 10 . 1 1 66 66 VAL CA C 66 56.267 56.267 60.199 -3.932 18954 4221 1 10 . 1 1 66 66 VAL CB C 66 34.051 34.051 36.580 -2.529 18954 4222 1 10 . 1 1 66 66 VAL H H 66 9.127 9.127 8.367 0.760 18954 4223 1 10 . 1 1 67 67 CYS N N 67 116.847 116.847 119.665 -2.818 18954 4224 1 10 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.824 -0.330 18954 4225 1 10 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.739 -2.869 18954 4226 1 10 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.634 -3.149 18954 4227 1 10 . 1 1 67 67 CYS H H 67 8.914 8.914 9.051 -0.137 18954 4228 1 10 . 1 1 68 68 PHE N N 68 116.013 116.013 114.924 1.089 18954 4229 1 10 . 1 1 68 68 PHE HA H 68 4.640 4.640 5.093 -0.453 18954 4230 1 10 . 1 1 68 68 PHE CA C 68 53.636 53.636 55.867 -2.231 18954 4231 1 10 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.806 -3.842 18954 4232 1 10 . 1 1 68 68 PHE H H 68 8.118 8.118 8.273 -0.155 18954 4233 1 10 . 1 1 69 69 ASP N N 69 119.562 119.562 120.884 -1.322 18954 4234 1 10 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.169 0.568 18954 4235 1 10 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.430 -4.267 18954 4236 1 10 . 1 1 69 69 ASP CB C 69 40.589 40.589 43.986 -3.397 18954 4237 1 10 . 1 1 69 69 ASP H H 69 8.999 8.999 8.366 0.633 18954 4238 1 10 . 1 1 70 70 VAL N N 70 114.283 114.283 115.356 -1.073 18954 4239 1 10 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.927 0.407 18954 4240 1 10 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.934 -2.970 18954 4241 1 10 . 1 1 70 70 VAL CB C 70 31.536 31.536 33.996 -2.460 18954 4242 1 10 . 1 1 70 70 VAL H H 70 8.913 8.913 8.841 0.072 18954 4243 1 10 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.674 0.553 18954 4244 1 10 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.084 -2.246 18954 4245 1 10 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.530 -2.057 18954 4246 1 10 . 1 1 72 72 THR N N 72 121.039 121.039 120.976 0.063 18954 4247 1 10 . 1 1 72 72 THR HA H 72 3.597 3.597 3.782 -0.185 18954 4248 1 10 . 1 1 72 72 THR CA C 72 63.671 63.671 67.149 -3.478 18954 4249 1 10 . 1 1 72 72 THR CB C 72 65.826 65.826 68.298 -2.472 18954 4250 1 10 . 1 1 72 72 THR H H 72 8.235 8.235 8.179 0.056 18954 4251 1 10 . 1 1 73 73 ALA N N 73 120.196 120.196 120.374 -0.178 18954 4252 1 10 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.233 -0.090 18954 4253 1 10 . 1 1 73 73 ALA CA C 73 51.471 51.471 53.808 -2.337 18954 4254 1 10 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.973 -1.878 18954 4255 1 10 . 1 1 73 73 ALA H H 73 8.466 8.466 8.301 0.165 18954 4256 1 10 . 1 1 74 74 SER N N 74 112.214 112.214 111.599 0.615 18954 4257 1 10 . 1 1 74 74 SER HA H 74 4.552 4.552 4.710 -0.158 18954 4258 1 10 . 1 1 74 74 SER CA C 74 57.492 57.492 58.511 -1.019 18954 4259 1 10 . 1 1 74 74 SER CB C 74 62.101 62.101 64.681 -2.580 18954 4260 1 10 . 1 1 74 74 SER H H 74 8.019 8.019 7.802 0.217 18954 4261 1 10 . 1 1 75 75 VAL N N 75 121.652 121.652 124.098 -2.446 18954 4262 1 10 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.606 -0.351 18954 4263 1 10 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.796 -1.789 18954 4264 1 10 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.458 -2.108 18954 4265 1 10 . 1 1 75 75 VAL H H 75 7.222 7.222 7.454 -0.232 18954 4266 1 10 . 1 1 76 76 THR N N 76 113.812 113.812 113.568 0.244 18954 4267 1 10 . 1 1 76 76 THR HA H 76 3.963 3.963 3.868 0.095 18954 4268 1 10 . 1 1 76 76 THR CA C 76 63.804 63.804 66.831 -3.027 18954 4269 1 10 . 1 1 76 76 THR CB C 76 65.567 65.567 68.554 -2.987 18954 4270 1 10 . 1 1 76 76 THR H H 76 8.107 8.107 7.773 0.334 18954 4271 1 10 . 1 1 77 77 GLU N N 77 121.634 121.634 121.387 0.247 18954 4272 1 10 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.068 -0.035 18954 4273 1 10 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.774 -3.418 18954 4274 1 10 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.285 -2.253 18954 4275 1 10 . 1 1 77 77 GLU H H 77 7.737 7.737 8.237 -0.500 18954 4276 1 10 . 1 1 78 78 ILE N N 78 119.383 119.383 120.266 -0.883 18954 4277 1 10 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.584 0.027 18954 4278 1 10 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.956 -2.867 18954 4279 1 10 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.934 -2.318 18954 4280 1 10 . 1 1 78 78 ILE H H 78 7.694 7.694 8.222 -0.528 18954 4281 1 10 . 1 1 79 79 GLN N N 79 116.015 116.015 117.452 -1.437 18954 4282 1 10 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.059 -0.131 18954 4283 1 10 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.147 -1.479 18954 4284 1 10 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.250 -1.843 18954 4285 1 10 . 1 1 79 79 GLN H H 79 8.319 8.319 8.184 0.135 18954 4286 1 10 . 1 1 80 80 GLU N N 80 116.824 116.824 116.811 0.013 18954 4287 1 10 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.314 -0.247 18954 4288 1 10 . 1 1 80 80 GLU CA C 80 55.591 55.591 57.619 -2.028 18954 4289 1 10 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.238 -2.809 18954 4290 1 10 . 1 1 80 80 GLU H H 80 7.884 7.884 7.954 -0.070 18954 4291 1 10 . 1 1 81 81 LYS N N 81 118.113 118.113 117.632 0.481 18954 4292 1 10 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.362 -0.168 18954 4293 1 10 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.787 -0.944 18954 4294 1 10 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.871 -1.095 18954 4295 1 10 . 1 1 81 81 LYS H H 81 7.396 7.396 7.715 -0.319 18954 4296 1 10 . 1 1 82 82 TRP N N 82 119.572 119.572 122.243 -2.671 18954 4297 1 10 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.434 -0.322 18954 4298 1 10 . 1 1 82 82 TRP CA C 82 55.919 55.919 58.218 -2.299 18954 4299 1 10 . 1 1 82 82 TRP CB C 82 27.453 27.453 29.964 -2.511 18954 4300 1 10 . 1 1 82 82 TRP H H 82 7.966 7.966 8.210 -0.244 18954 4301 1 10 . 1 1 83 83 HIS N N 83 126.139 126.139 121.471 4.668 18954 4302 1 10 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.698 -0.034 18954 4303 1 10 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.684 -3.029 18954 4304 1 10 . 1 1 83 83 HIS CB C 83 28.017 28.017 33.253 -5.236 18954 4305 1 10 . 1 1 83 83 HIS H H 83 8.566 8.566 6.823 1.743 18954 4306 1 10 . 1 1 84 84 ASP N N 84 125.751 125.751 123.845 1.906 18954 4307 1 10 . 1 1 84 84 ASP HA H 84 4.999 4.999 5.224 -0.225 18954 4308 1 10 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.311 -1.692 18954 4309 1 10 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.597 -1.856 18954 4310 1 10 . 1 1 84 84 ASP H H 84 8.913 8.913 8.586 0.327 18954 4311 1 10 . 1 1 85 85 SER N N 85 116.332 116.332 118.315 -1.983 18954 4312 1 10 . 1 1 85 85 SER HA H 85 4.924 4.924 4.641 0.283 18954 4313 1 10 . 1 1 85 85 SER CA C 85 53.657 53.657 58.209 -4.552 18954 4314 1 10 . 1 1 85 85 SER CB C 85 64.982 64.982 64.475 0.506 18954 4315 1 10 . 1 1 85 85 SER H H 85 9.621 9.621 8.299 1.322 18954 4316 1 10 . 1 1 86 86 ARG N N 86 118.680 118.680 120.382 -1.702 18954 4317 1 10 . 1 1 86 86 ARG HA H 86 4.058 4.058 3.941 0.117 18954 4318 1 10 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.892 -3.045 18954 4319 1 10 . 1 1 86 86 ARG CB C 86 27.132 27.132 28.961 -1.829 18954 4320 1 10 . 1 1 86 86 ARG H H 86 8.695 8.695 8.968 -0.273 18954 4321 1 10 . 1 1 87 87 ARG N N 87 117.323 117.323 120.548 -3.225 18954 4322 1 10 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.544 -0.268 18954 4323 1 10 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.640 -1.651 18954 4324 1 10 . 1 1 87 87 ARG CB C 87 29.582 29.582 33.230 -3.648 18954 4325 1 10 . 1 1 87 87 ARG H H 87 7.710 7.710 8.260 -0.550 18954 4326 1 10 . 1 1 88 88 TRP N N 88 115.976 115.976 120.494 -4.518 18954 4327 1 10 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.507 0.370 18954 4328 1 10 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.434 -4.023 18954 4329 1 10 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.130 -0.020 18954 4330 1 10 . 1 1 88 88 TRP H H 88 7.374 7.374 8.743 -1.369 18954 4331 1 10 . 1 1 89 89 GLN N N 89 118.426 118.426 120.455 -2.029 18954 4332 1 10 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.999 0.528 18954 4333 1 10 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.747 -2.082 18954 4334 1 10 . 1 1 89 89 GLN CB C 89 29.926 29.926 31.989 -2.063 18954 4335 1 10 . 1 1 89 89 GLN H H 89 8.803 8.803 9.085 -0.282 18954 4336 1 10 . 1 1 90 90 LEU N N 90 127.680 127.680 122.178 5.502 18954 4337 1 10 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.646 0.583 18954 4338 1 10 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.871 -3.025 18954 4339 1 10 . 1 1 90 90 LEU CB C 90 39.965 39.965 43.032 -3.067 18954 4340 1 10 . 1 1 90 90 LEU H H 90 8.518 8.518 8.479 0.039 18954 4341 1 10 . 1 1 91 91 SER N N 91 121.513 121.513 113.562 7.951 18954 4342 1 10 . 1 1 91 91 SER HA H 91 4.639 4.639 4.587 0.052 18954 4343 1 10 . 1 1 91 91 SER CA C 91 54.241 54.241 57.582 -3.341 18954 4344 1 10 . 1 1 91 91 SER CB C 91 63.274 63.274 65.607 -2.333 18954 4345 1 10 . 1 1 91 91 SER H H 91 8.979 8.979 7.994 0.985 18954 4346 1 10 . 1 1 92 92 VAL N N 92 120.290 120.290 120.464 -0.174 18954 4347 1 10 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.110 0.006 18954 4348 1 10 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.662 0.227 18954 4349 1 10 . 1 1 92 92 VAL CB C 92 30.225 30.225 34.779 -4.554 18954 4350 1 10 . 1 1 92 92 VAL H H 92 8.277 8.277 8.163 0.114 18954 4351 1 10 . 1 1 93 93 ALA N N 93 130.076 130.076 129.094 0.982 18954 4352 1 10 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.516 -0.337 18954 4353 1 10 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.771 -2.578 18954 4354 1 10 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.216 -2.596 18954 4355 1 10 . 1 1 93 93 ALA H H 93 8.521 8.521 8.396 0.125 18954 4356 1 10 . 1 1 94 94 THR N N 94 113.705 113.705 113.563 0.142 18954 4357 1 10 . 1 1 94 94 THR HA H 94 4.190 4.190 4.263 -0.073 18954 4358 1 10 . 1 1 94 94 THR CA C 94 65.409 65.409 64.229 1.180 18954 4359 1 10 . 1 1 94 94 THR CB C 94 67.702 67.702 69.073 -1.371 18954 4360 1 10 . 1 1 94 94 THR H H 94 8.099 8.099 8.586 -0.487 18954 4361 1 11 . 1 1 3 3 ILE N N 3 123.622 123.622 124.704 -1.082 18954 4362 1 11 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.376 -0.261 18954 4363 1 11 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.416 -3.114 18954 4364 1 11 . 1 1 3 3 ILE CB C 3 36.212 36.212 38.177 -1.965 18954 4365 1 11 . 1 1 3 3 ILE H H 3 8.271 8.271 8.385 -0.114 18954 4366 1 11 . 1 1 4 4 SER N N 4 120.605 120.605 120.532 0.073 18954 4367 1 11 . 1 1 4 4 SER HA H 4 4.368 4.368 4.890 -0.522 18954 4368 1 11 . 1 1 4 4 SER CA C 4 55.796 55.796 57.870 -2.074 18954 4369 1 11 . 1 1 4 4 SER CB C 4 60.945 60.945 64.068 -3.123 18954 4370 1 11 . 1 1 4 4 SER H H 4 8.425 8.425 8.522 -0.097 18954 4371 1 11 . 1 1 5 5 GLY N N 5 111.455 111.455 109.421 2.034 18954 4372 1 11 . 1 1 5 5 GLY CA C 5 42.781 42.781 46.166 -3.385 18954 4373 1 11 . 1 1 5 5 GLY H H 5 8.406 8.406 8.510 -0.104 18954 4374 1 11 . 1 1 6 6 ALA N N 6 123.660 123.660 124.835 -1.175 18954 4375 1 11 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.528 -0.209 18954 4376 1 11 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.623 -2.729 18954 4377 1 11 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.211 -2.283 18954 4378 1 11 . 1 1 6 6 ALA H H 6 8.103 8.103 8.484 -0.381 18954 4379 1 11 . 1 1 7 7 THR N N 7 113.014 113.014 111.843 1.171 18954 4380 1 11 . 1 1 7 7 THR HA H 7 4.309 4.309 4.598 -0.289 18954 4381 1 11 . 1 1 7 7 THR CA C 7 58.886 58.886 61.067 -2.181 18954 4382 1 11 . 1 1 7 7 THR CB C 7 67.461 67.461 70.124 -2.663 18954 4383 1 11 . 1 1 7 7 THR H H 7 8.108 8.108 7.631 0.477 18954 4384 1 11 . 1 1 8 8 SER N N 8 118.032 118.032 116.853 1.179 18954 4385 1 11 . 1 1 8 8 SER HA H 8 4.434 4.434 4.477 -0.043 18954 4386 1 11 . 1 1 8 8 SER CA C 8 55.537 55.537 57.858 -2.321 18954 4387 1 11 . 1 1 8 8 SER CB C 8 61.305 61.305 63.810 -2.505 18954 4388 1 11 . 1 1 8 8 SER H H 8 8.222 8.222 8.356 -0.134 18954 4389 1 11 . 1 1 9 9 VAL N N 9 121.129 121.129 116.012 5.117 18954 4390 1 11 . 1 1 9 9 VAL HA H 9 4.022 4.022 3.991 0.031 18954 4391 1 11 . 1 1 9 9 VAL CA C 9 60.014 60.014 63.106 -3.092 18954 4392 1 11 . 1 1 9 9 VAL CB C 9 30.139 30.139 31.838 -1.700 18954 4393 1 11 . 1 1 9 9 VAL H H 9 8.098 8.098 8.457 -0.359 18954 4394 1 11 . 1 1 10 10 ASP N N 10 123.102 123.102 119.527 3.575 18954 4395 1 11 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.836 -0.333 18954 4396 1 11 . 1 1 10 10 ASP CA C 10 51.635 51.635 53.421 -1.786 18954 4397 1 11 . 1 1 10 10 ASP CB C 10 38.671 38.671 40.094 -1.423 18954 4398 1 11 . 1 1 10 10 ASP H H 10 8.242 8.242 7.874 0.368 18954 4399 1 11 . 1 1 11 11 GLN N N 11 121.449 121.449 118.196 3.253 18954 4400 1 11 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.392 -0.227 18954 4401 1 11 . 1 1 11 11 GLN CA C 11 53.773 53.773 56.265 -2.492 18954 4402 1 11 . 1 1 11 11 GLN CB C 11 26.558 26.558 29.735 -3.177 18954 4403 1 11 . 1 1 11 11 GLN H H 11 8.247 8.247 7.925 0.322 18954 4404 1 11 . 1 1 12 12 ARG N N 12 121.029 121.029 122.651 -1.622 18954 4405 1 11 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.569 -0.342 18954 4406 1 11 . 1 1 12 12 ARG CA C 12 59.634 59.634 55.673 3.961 18954 4407 1 11 . 1 1 12 12 ARG CB C 12 28.284 28.284 32.035 -3.751 18954 4408 1 11 . 1 1 12 12 ARG H H 12 8.215 8.215 8.394 -0.179 18954 4409 1 11 . 1 1 13 13 SER N N 13 121.168 121.168 115.985 5.183 18954 4410 1 11 . 1 1 13 13 SER HA H 13 4.327 4.327 4.721 -0.394 18954 4411 1 11 . 1 1 13 13 SER CA C 13 56.317 56.317 57.387 -1.070 18954 4412 1 11 . 1 1 13 13 SER CB C 13 61.153 61.153 64.914 -3.761 18954 4413 1 11 . 1 1 13 13 SER H H 13 8.483 8.483 8.197 0.286 18954 4414 1 11 . 1 1 14 14 LEU N N 14 115.731 115.731 121.322 -5.591 18954 4415 1 11 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.333 -0.086 18954 4416 1 11 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.114 -3.241 18954 4417 1 11 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.794 -2.105 18954 4418 1 11 . 1 1 14 14 LEU H H 14 8.124 8.124 8.529 -0.405 18954 4419 1 11 . 1 1 15 15 ILE N N 15 119.991 119.991 111.274 8.717 18954 4420 1 11 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.421 -0.424 18954 4421 1 11 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.200 -1.359 18954 4422 1 11 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.391 -1.186 18954 4423 1 11 . 1 1 15 15 ILE H H 15 7.859 7.859 7.517 0.342 18954 4424 1 11 . 1 1 16 16 ASN N N 16 120.780 120.780 122.124 -1.344 18954 4425 1 11 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.449 0.264 18954 4426 1 11 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.794 -2.341 18954 4427 1 11 . 1 1 16 16 ASN H H 16 8.014 8.014 8.265 -0.251 18954 4428 1 11 . 1 1 17 17 SER N N 17 115.640 115.640 110.283 5.357 18954 4429 1 11 . 1 1 17 17 SER HA H 17 4.300 4.300 4.536 -0.236 18954 4430 1 11 . 1 1 17 17 SER CA C 17 56.001 56.001 57.870 -1.869 18954 4431 1 11 . 1 1 17 17 SER CB C 17 60.894 60.894 64.236 -3.342 18954 4432 1 11 . 1 1 17 17 SER H H 17 8.121 8.121 8.113 0.008 18954 4433 1 11 . 1 1 18 18 ASN N N 18 121.876 121.876 120.282 1.594 18954 4434 1 11 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.904 -0.173 18954 4435 1 11 . 1 1 18 18 ASN CB C 18 36.293 36.293 38.845 -2.552 18954 4436 1 11 . 1 1 18 18 ASN H H 18 8.376 8.376 8.035 0.341 18954 4437 1 11 . 1 1 19 19 VAL N N 19 120.480 120.480 120.240 0.240 18954 4438 1 11 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.359 -0.330 18954 4439 1 11 . 1 1 19 19 VAL CA C 19 60.348 60.348 60.900 -0.552 18954 4440 1 11 . 1 1 19 19 VAL CB C 19 29.903 29.903 34.496 -4.593 18954 4441 1 11 . 1 1 19 19 VAL H H 19 8.022 8.022 7.700 0.322 18954 4442 1 11 . 1 1 20 20 GLY N N 20 112.265 112.265 113.733 -1.468 18954 4443 1 11 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.845 -3.147 18954 4444 1 11 . 1 1 20 20 GLY H H 20 8.567 8.567 8.525 0.042 18954 4445 1 11 . 1 1 21 21 PHE N N 21 119.701 119.701 119.767 -0.066 18954 4446 1 11 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.619 -0.486 18954 4447 1 11 . 1 1 21 21 PHE CA C 21 54.358 54.358 56.855 -2.497 18954 4448 1 11 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.413 -2.519 18954 4449 1 11 . 1 1 21 21 PHE H H 21 7.917 7.917 8.400 -0.483 18954 4450 1 11 . 1 1 22 22 VAL N N 22 120.733 120.733 121.396 -0.663 18954 4451 1 11 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.539 -0.278 18954 4452 1 11 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.537 -2.565 18954 4453 1 11 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.878 -2.800 18954 4454 1 11 . 1 1 22 22 VAL H H 22 9.221 9.221 8.852 0.369 18954 4455 1 11 . 1 1 23 23 THR N N 23 123.388 123.388 121.284 2.104 18954 4456 1 11 . 1 1 23 23 THR HA H 23 4.967 4.967 4.511 0.456 18954 4457 1 11 . 1 1 23 23 THR CA C 23 59.731 59.731 63.432 -3.701 18954 4458 1 11 . 1 1 23 23 THR CB C 23 66.715 66.715 69.411 -2.696 18954 4459 1 11 . 1 1 23 23 THR H H 23 8.403 8.403 8.364 0.039 18954 4460 1 11 . 1 1 24 24 MET N N 24 125.957 125.957 120.857 5.100 18954 4461 1 11 . 1 1 24 24 MET HA H 24 4.702 4.702 4.978 -0.276 18954 4462 1 11 . 1 1 24 24 MET CA C 24 51.056 51.056 53.860 -2.804 18954 4463 1 11 . 1 1 24 24 MET CB C 24 32.115 32.115 35.896 -3.781 18954 4464 1 11 . 1 1 24 24 MET H H 24 9.289 9.289 8.543 0.746 18954 4465 1 11 . 1 1 25 25 ILE N N 25 117.652 117.652 118.765 -1.113 18954 4466 1 11 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.423 -0.024 18954 4467 1 11 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.077 -2.318 18954 4468 1 11 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.291 -2.421 18954 4469 1 11 . 1 1 25 25 ILE H H 25 8.572 8.572 8.118 0.454 18954 4470 1 11 . 1 1 26 26 LEU N N 26 130.281 130.281 125.718 4.563 18954 4471 1 11 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.683 0.531 18954 4472 1 11 . 1 1 26 26 LEU CA C 26 50.111 50.111 52.925 -2.814 18954 4473 1 11 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.844 -3.481 18954 4474 1 11 . 1 1 26 26 LEU H H 26 8.901 8.901 8.750 0.151 18954 4475 1 11 . 1 1 27 27 GLN N N 27 125.400 125.400 122.911 2.489 18954 4476 1 11 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.695 0.078 18954 4477 1 11 . 1 1 27 27 GLN CB C 27 29.511 29.511 31.274 -1.763 18954 4478 1 11 . 1 1 27 27 GLN H H 27 9.330 9.330 8.788 0.542 18954 4479 1 11 . 1 1 28 28 CYS N N 28 124.065 124.065 124.631 -0.566 18954 4480 1 11 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.614 0.509 18954 4481 1 11 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.541 -3.506 18954 4482 1 11 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.216 -1.037 18954 4483 1 11 . 1 1 28 28 CYS H H 28 8.585 8.585 8.543 0.042 18954 4484 1 11 . 1 1 29 29 SER N N 29 121.076 121.076 120.426 0.650 18954 4485 1 11 . 1 1 29 29 SER HA H 29 4.160 4.160 4.299 -0.139 18954 4486 1 11 . 1 1 29 29 SER CA C 29 57.073 57.073 60.133 -3.060 18954 4487 1 11 . 1 1 29 29 SER CB C 29 60.725 60.725 62.456 -1.731 18954 4488 1 11 . 1 1 29 29 SER H H 29 8.519 8.519 8.441 0.078 18954 4489 1 11 . 1 1 30 30 ILE N N 30 117.987 117.987 113.908 4.079 18954 4490 1 11 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.359 -0.051 18954 4491 1 11 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.392 -1.811 18954 4492 1 11 . 1 1 30 30 ILE CB C 30 39.391 39.391 40.847 -1.456 18954 4493 1 11 . 1 1 30 30 ILE H H 30 7.343 7.343 6.725 0.618 18954 4494 1 11 . 1 1 31 31 GLU N N 31 119.585 119.585 122.948 -3.363 18954 4495 1 11 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.333 -0.655 18954 4496 1 11 . 1 1 31 31 GLU CA C 31 54.224 54.224 57.092 -2.868 18954 4497 1 11 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.189 -2.828 18954 4498 1 11 . 1 1 31 31 GLU H H 31 7.901 7.901 8.397 -0.496 18954 4499 1 11 . 1 1 32 32 MET N N 32 126.504 126.504 127.177 -0.673 18954 4500 1 11 . 1 1 32 32 MET HA H 32 4.297 4.297 4.605 -0.308 18954 4501 1 11 . 1 1 32 32 MET CA C 32 50.919 50.919 53.140 -2.221 18954 4502 1 11 . 1 1 32 32 MET CB C 32 32.696 32.696 32.203 0.493 18954 4503 1 11 . 1 1 32 32 MET H H 32 8.406 8.406 8.703 -0.297 18954 4504 1 11 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.365 -0.174 18954 4505 1 11 . 1 1 33 33 PRO CA C 33 61.767 61.767 63.837 -2.070 18954 4506 1 11 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.957 -1.931 18954 4507 1 11 . 1 1 34 34 ASN N N 34 107.313 107.313 115.609 -8.296 18954 4508 1 11 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.080 -0.264 18954 4509 1 11 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.956 -1.984 18954 4510 1 11 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.634 -2.497 18954 4511 1 11 . 1 1 34 34 ASN H H 34 7.077 7.077 8.095 -1.018 18954 4512 1 11 . 1 1 35 35 ILE N N 35 122.015 122.015 123.843 -1.828 18954 4513 1 11 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.741 0.202 18954 4514 1 11 . 1 1 35 35 ILE CA C 35 61.775 61.775 64.039 -2.264 18954 4515 1 11 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.250 -1.860 18954 4516 1 11 . 1 1 35 35 ILE H H 35 9.109 9.109 9.171 -0.062 18954 4517 1 11 . 1 1 36 36 SER N N 36 119.851 119.851 114.978 4.873 18954 4518 1 11 . 1 1 36 36 SER HA H 36 4.366 4.366 4.507 -0.141 18954 4519 1 11 . 1 1 36 36 SER CA C 36 59.274 59.274 61.093 -1.819 18954 4520 1 11 . 1 1 36 36 SER CB C 36 59.818 59.818 62.191 -2.373 18954 4521 1 11 . 1 1 36 36 SER H H 36 8.936 8.936 8.444 0.492 18954 4522 1 11 . 1 1 37 37 TYR N N 37 122.338 122.338 123.230 -0.892 18954 4523 1 11 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.154 0.049 18954 4524 1 11 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.940 -3.755 18954 4525 1 11 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.134 -1.741 18954 4526 1 11 . 1 1 37 37 TYR H H 37 7.808 7.808 8.557 -0.749 18954 4527 1 11 . 1 1 38 38 ALA N N 38 120.761 120.761 121.217 -0.456 18954 4528 1 11 . 1 1 38 38 ALA HA H 38 3.871 3.871 4.028 -0.157 18954 4529 1 11 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.879 -3.082 18954 4530 1 11 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.875 -1.219 18954 4531 1 11 . 1 1 38 38 ALA H H 38 7.364 7.364 7.918 -0.554 18954 4532 1 11 . 1 1 39 39 TRP N N 39 115.813 115.813 118.803 -2.990 18954 4533 1 11 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.106 -0.030 18954 4534 1 11 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.520 -2.790 18954 4535 1 11 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.199 -1.487 18954 4536 1 11 . 1 1 39 39 TRP H H 39 7.134 7.134 7.582 -0.448 18954 4537 1 11 . 1 1 40 40 LYS N N 40 117.209 117.209 118.912 -1.703 18954 4538 1 11 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.789 0.060 18954 4539 1 11 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.479 -3.495 18954 4540 1 11 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.129 -2.139 18954 4541 1 11 . 1 1 40 40 LYS H H 40 8.091 8.091 8.317 -0.226 18954 4542 1 11 . 1 1 41 41 GLU N N 41 119.521 119.521 119.105 0.416 18954 4543 1 11 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.887 0.067 18954 4544 1 11 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.042 -3.140 18954 4545 1 11 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.901 -2.979 18954 4546 1 11 . 1 1 41 41 GLU H H 41 6.674 6.674 7.328 -0.654 18954 4547 1 11 . 1 1 42 42 LEU N N 42 117.269 117.269 120.477 -3.208 18954 4548 1 11 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.153 -0.266 18954 4549 1 11 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.337 -2.497 18954 4550 1 11 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.779 -1.941 18954 4551 1 11 . 1 1 42 42 LEU H H 42 7.866 7.866 8.397 -0.531 18954 4552 1 11 . 1 1 43 43 LYS N N 43 117.633 117.633 118.531 -0.898 18954 4553 1 11 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.199 -0.230 18954 4554 1 11 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.440 -3.433 18954 4555 1 11 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.170 -2.078 18954 4556 1 11 . 1 1 43 43 LYS H H 43 8.458 8.458 8.464 -0.006 18954 4557 1 11 . 1 1 44 44 GLU N N 44 120.906 120.906 119.220 1.686 18954 4558 1 11 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.043 -0.200 18954 4559 1 11 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.885 -1.930 18954 4560 1 11 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.495 -2.640 18954 4561 1 11 . 1 1 44 44 GLU H H 44 8.013 8.013 7.689 0.324 18954 4562 1 11 . 1 1 45 45 GLN N N 45 113.584 113.584 117.729 -4.145 18954 4563 1 11 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.093 0.045 18954 4564 1 11 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.533 0.644 18954 4565 1 11 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.339 -1.803 18954 4566 1 11 . 1 1 45 45 GLN H H 45 7.665 7.665 7.703 -0.038 18954 4567 1 11 . 1 1 46 46 LEU N N 46 114.594 114.594 115.327 -0.733 18954 4568 1 11 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.325 0.145 18954 4569 1 11 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.039 -3.110 18954 4570 1 11 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.918 -3.282 18954 4571 1 11 . 1 1 46 46 LEU H H 46 8.652 8.652 8.009 0.643 18954 4572 1 11 . 1 1 47 47 GLY N N 47 110.084 110.084 106.554 3.530 18954 4573 1 11 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.344 -2.505 18954 4574 1 11 . 1 1 47 47 GLY H H 47 7.642 7.642 7.455 0.187 18954 4575 1 11 . 1 1 48 48 GLU N N 48 118.535 118.535 122.939 -4.404 18954 4576 1 11 . 1 1 48 48 GLU HA H 48 3.712 3.712 3.943 -0.231 18954 4577 1 11 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.892 -2.470 18954 4578 1 11 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.690 -2.225 18954 4579 1 11 . 1 1 48 48 GLU H H 48 8.348 8.348 8.796 -0.448 18954 4580 1 11 . 1 1 49 49 GLU N N 49 114.460 114.460 117.115 -2.655 18954 4581 1 11 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.219 0.154 18954 4582 1 11 . 1 1 49 49 GLU CA C 49 54.413 54.413 57.033 -2.620 18954 4583 1 11 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.410 -2.449 18954 4584 1 11 . 1 1 49 49 GLU H H 49 8.498 8.498 8.372 0.126 18954 4585 1 11 . 1 1 50 50 ILE N N 50 121.524 121.524 120.958 0.566 18954 4586 1 11 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.866 0.236 18954 4587 1 11 . 1 1 50 50 ILE CA C 50 57.703 57.703 62.263 -4.559 18954 4588 1 11 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.119 -2.382 18954 4589 1 11 . 1 1 50 50 ILE H H 50 7.617 7.617 7.366 0.251 18954 4590 1 11 . 1 1 51 51 ASP N N 51 119.881 119.881 118.897 0.984 18954 4591 1 11 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.286 0.014 18954 4592 1 11 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.420 -2.888 18954 4593 1 11 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.627 -2.429 18954 4594 1 11 . 1 1 51 51 ASP H H 51 7.926 7.926 8.372 -0.446 18954 4595 1 11 . 1 1 52 52 SER N N 52 113.164 113.164 116.676 -3.512 18954 4596 1 11 . 1 1 52 52 SER HA H 52 4.403 4.403 4.202 0.201 18954 4597 1 11 . 1 1 52 52 SER CA C 52 56.968 56.968 60.946 -3.978 18954 4598 1 11 . 1 1 52 52 SER CB C 52 61.183 61.183 63.349 -2.166 18954 4599 1 11 . 1 1 52 52 SER H H 52 7.888 7.888 7.571 0.317 18954 4600 1 11 . 1 1 53 53 LYS N N 53 120.411 120.411 118.094 2.317 18954 4601 1 11 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.560 -0.106 18954 4602 1 11 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.491 -1.678 18954 4603 1 11 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.721 -0.362 18954 4604 1 11 . 1 1 53 53 LYS H H 53 7.714 7.714 7.620 0.094 18954 4605 1 11 . 1 1 54 54 VAL N N 54 116.701 116.701 118.224 -1.523 18954 4606 1 11 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.419 0.048 18954 4607 1 11 . 1 1 54 54 VAL CA C 54 59.565 59.565 60.771 -1.206 18954 4608 1 11 . 1 1 54 54 VAL CB C 54 30.833 30.833 34.390 -3.557 18954 4609 1 11 . 1 1 54 54 VAL H H 54 7.041 7.041 7.267 -0.226 18954 4610 1 11 . 1 1 55 55 LYS N N 55 125.891 125.891 123.549 2.342 18954 4611 1 11 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.554 0.194 18954 4612 1 11 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.139 -2.537 18954 4613 1 11 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.577 -0.289 18954 4614 1 11 . 1 1 55 55 LYS H H 55 9.138 9.138 8.740 0.398 18954 4615 1 11 . 1 1 56 56 GLY N N 56 109.312 109.312 108.586 0.726 18954 4616 1 11 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.584 0.132 18954 4617 1 11 . 1 1 56 56 GLY H H 56 8.489 8.489 8.578 -0.089 18954 4618 1 11 . 1 1 57 57 MET N N 57 118.391 118.391 128.163 -9.772 18954 4619 1 11 . 1 1 57 57 MET HA H 57 4.930 4.930 4.546 0.384 18954 4620 1 11 . 1 1 57 57 MET CA C 57 53.906 53.906 57.080 -3.174 18954 4621 1 11 . 1 1 57 57 MET CB C 57 30.841 30.841 33.533 -2.692 18954 4622 1 11 . 1 1 57 57 MET H H 57 8.039 8.039 8.027 0.012 18954 4623 1 11 . 1 1 58 58 VAL N N 58 124.257 124.257 118.657 5.600 18954 4624 1 11 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.701 -0.252 18954 4625 1 11 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.863 -2.813 18954 4626 1 11 . 1 1 58 58 VAL CB C 58 33.856 33.856 35.195 -1.339 18954 4627 1 11 . 1 1 58 58 VAL H H 58 8.780 8.780 8.920 -0.140 18954 4628 1 11 . 1 1 59 59 PHE N N 59 120.512 120.512 119.448 1.064 18954 4629 1 11 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.630 0.345 18954 4630 1 11 . 1 1 59 59 PHE CA C 59 56.564 56.564 58.788 -2.224 18954 4631 1 11 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.484 -1.794 18954 4632 1 11 . 1 1 59 59 PHE H H 59 8.432 8.432 8.352 0.080 18954 4633 1 11 . 1 1 60 60 LEU N N 60 120.934 120.934 123.675 -2.741 18954 4634 1 11 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.360 0.016 18954 4635 1 11 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.643 -3.416 18954 4636 1 11 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.816 -2.291 18954 4637 1 11 . 1 1 60 60 LEU H H 60 8.291 8.291 8.343 -0.052 18954 4638 1 11 . 1 1 61 61 LYS N N 61 122.117 122.117 118.893 3.224 18954 4639 1 11 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.138 -0.157 18954 4640 1 11 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.106 -1.563 18954 4641 1 11 . 1 1 61 61 LYS CB C 61 29.642 29.642 31.605 -1.963 18954 4642 1 11 . 1 1 61 61 LYS H H 61 8.371 8.371 8.490 -0.119 18954 4643 1 11 . 1 1 62 62 GLY N N 62 114.590 114.590 106.036 8.554 18954 4644 1 11 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.635 -1.663 18954 4645 1 11 . 1 1 62 62 GLY H H 62 8.870 8.870 7.409 1.461 18954 4646 1 11 . 1 1 63 63 LYS N N 63 111.406 111.406 121.909 -10.503 18954 4647 1 11 . 1 1 63 63 LYS H H 63 8.129 8.129 8.693 -0.564 18954 4648 1 11 . 1 1 64 64 LEU HA H 64 4.466 4.466 5.127 -0.661 18954 4649 1 11 . 1 1 64 64 LEU CA C 64 52.271 52.271 53.908 -1.637 18954 4650 1 11 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.433 -3.977 18954 4651 1 11 . 1 1 65 65 GLY N N 65 105.164 105.164 104.834 0.330 18954 4652 1 11 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.637 -3.045 18954 4653 1 11 . 1 1 65 65 GLY H H 65 7.375 7.375 7.642 -0.267 18954 4654 1 11 . 1 1 66 66 VAL N N 66 111.490 111.490 114.357 -2.867 18954 4655 1 11 . 1 1 66 66 VAL HA H 66 5.391 5.391 5.303 0.088 18954 4656 1 11 . 1 1 66 66 VAL CA C 66 56.267 56.267 58.898 -2.631 18954 4657 1 11 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.610 -1.559 18954 4658 1 11 . 1 1 66 66 VAL H H 66 9.127 9.127 7.928 1.199 18954 4659 1 11 . 1 1 67 67 CYS N N 67 116.847 116.847 115.070 1.777 18954 4660 1 11 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.239 0.255 18954 4661 1 11 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.809 -2.939 18954 4662 1 11 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.939 -3.454 18954 4663 1 11 . 1 1 67 67 CYS H H 67 8.914 8.914 8.931 -0.017 18954 4664 1 11 . 1 1 68 68 PHE N N 68 116.013 116.013 114.312 1.701 18954 4665 1 11 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.826 -0.186 18954 4666 1 11 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.422 -2.786 18954 4667 1 11 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.689 -3.725 18954 4668 1 11 . 1 1 68 68 PHE H H 68 8.118 8.118 7.991 0.127 18954 4669 1 11 . 1 1 69 69 ASP N N 69 119.562 119.562 121.477 -1.915 18954 4670 1 11 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.244 0.493 18954 4671 1 11 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.276 -4.113 18954 4672 1 11 . 1 1 69 69 ASP CB C 69 40.589 40.589 42.158 -1.569 18954 4673 1 11 . 1 1 69 69 ASP H H 69 8.999 8.999 8.550 0.449 18954 4674 1 11 . 1 1 70 70 VAL N N 70 114.283 114.283 115.244 -0.961 18954 4675 1 11 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.945 0.389 18954 4676 1 11 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.886 -2.922 18954 4677 1 11 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.932 -3.396 18954 4678 1 11 . 1 1 70 70 VAL H H 70 8.913 8.913 8.444 0.469 18954 4679 1 11 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.243 0.984 18954 4680 1 11 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.963 -2.125 18954 4681 1 11 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.565 -2.092 18954 4682 1 11 . 1 1 72 72 THR N N 72 121.039 121.039 119.877 1.162 18954 4683 1 11 . 1 1 72 72 THR HA H 72 3.597 3.597 3.826 -0.229 18954 4684 1 11 . 1 1 72 72 THR CA C 72 63.671 63.671 66.668 -2.997 18954 4685 1 11 . 1 1 72 72 THR CB C 72 65.826 65.826 68.180 -2.354 18954 4686 1 11 . 1 1 72 72 THR H H 72 8.235 8.235 8.525 -0.290 18954 4687 1 11 . 1 1 73 73 ALA N N 73 120.196 120.196 121.069 -0.873 18954 4688 1 11 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.268 -0.125 18954 4689 1 11 . 1 1 73 73 ALA CA C 73 51.471 51.471 53.462 -1.991 18954 4690 1 11 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.956 -1.861 18954 4691 1 11 . 1 1 73 73 ALA H H 73 8.466 8.466 8.271 0.195 18954 4692 1 11 . 1 1 74 74 SER N N 74 112.214 112.214 112.200 0.014 18954 4693 1 11 . 1 1 74 74 SER HA H 74 4.552 4.552 4.601 -0.049 18954 4694 1 11 . 1 1 74 74 SER CA C 74 57.492 57.492 58.167 -0.675 18954 4695 1 11 . 1 1 74 74 SER CB C 74 62.101 62.101 63.918 -1.817 18954 4696 1 11 . 1 1 74 74 SER H H 74 8.019 8.019 7.817 0.202 18954 4697 1 11 . 1 1 75 75 VAL N N 75 121.652 121.652 123.949 -2.297 18954 4698 1 11 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.564 -0.309 18954 4699 1 11 . 1 1 75 75 VAL CA C 75 65.007 65.007 67.244 -2.237 18954 4700 1 11 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.860 -2.510 18954 4701 1 11 . 1 1 75 75 VAL H H 75 7.222 7.222 8.290 -1.068 18954 4702 1 11 . 1 1 76 76 THR N N 76 113.812 113.812 112.618 1.194 18954 4703 1 11 . 1 1 76 76 THR HA H 76 3.963 3.963 4.025 -0.062 18954 4704 1 11 . 1 1 76 76 THR CA C 76 63.804 63.804 65.568 -1.764 18954 4705 1 11 . 1 1 76 76 THR CB C 76 65.567 65.567 68.582 -3.015 18954 4706 1 11 . 1 1 76 76 THR H H 76 8.107 8.107 7.566 0.541 18954 4707 1 11 . 1 1 77 77 GLU N N 77 121.634 121.634 122.467 -0.833 18954 4708 1 11 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.161 -0.128 18954 4709 1 11 . 1 1 77 77 GLU CA C 77 56.356 56.356 58.806 -2.450 18954 4710 1 11 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.471 -2.439 18954 4711 1 11 . 1 1 77 77 GLU H H 77 7.737 7.737 7.544 0.193 18954 4712 1 11 . 1 1 78 78 ILE N N 78 119.383 119.383 120.707 -1.324 18954 4713 1 11 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.675 -0.064 18954 4714 1 11 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.515 -2.426 18954 4715 1 11 . 1 1 78 78 ILE CB C 78 35.616 35.616 38.044 -2.428 18954 4716 1 11 . 1 1 78 78 ILE H H 78 7.694 7.694 8.360 -0.666 18954 4717 1 11 . 1 1 79 79 GLN N N 79 116.015 116.015 116.959 -0.944 18954 4718 1 11 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.116 -0.188 18954 4719 1 11 . 1 1 79 79 GLN CA C 79 56.668 56.668 57.928 -1.260 18954 4720 1 11 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.480 -2.073 18954 4721 1 11 . 1 1 79 79 GLN H H 79 8.319 8.319 7.663 0.656 18954 4722 1 11 . 1 1 80 80 GLU N N 80 116.824 116.824 116.333 0.491 18954 4723 1 11 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.367 -0.300 18954 4724 1 11 . 1 1 80 80 GLU CA C 80 55.591 55.591 56.777 -1.186 18954 4725 1 11 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.915 -2.486 18954 4726 1 11 . 1 1 80 80 GLU H H 80 7.884 7.884 7.690 0.194 18954 4727 1 11 . 1 1 81 81 LYS N N 81 118.113 118.113 117.692 0.421 18954 4728 1 11 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.464 -0.270 18954 4729 1 11 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.231 -0.388 18954 4730 1 11 . 1 1 81 81 LYS CB C 81 32.776 32.776 34.321 -1.545 18954 4731 1 11 . 1 1 81 81 LYS H H 81 7.396 7.396 7.750 -0.354 18954 4732 1 11 . 1 1 82 82 TRP N N 82 119.572 119.572 121.385 -1.813 18954 4733 1 11 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.567 -0.455 18954 4734 1 11 . 1 1 82 82 TRP CA C 82 55.919 55.919 56.339 -0.420 18954 4735 1 11 . 1 1 82 82 TRP CB C 82 27.453 27.453 31.050 -3.597 18954 4736 1 11 . 1 1 82 82 TRP H H 82 7.966 7.966 7.533 0.433 18954 4737 1 11 . 1 1 83 83 HIS N N 83 126.139 126.139 120.591 5.548 18954 4738 1 11 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.799 -0.135 18954 4739 1 11 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.853 -3.198 18954 4740 1 11 . 1 1 83 83 HIS CB C 83 28.017 28.017 33.303 -5.287 18954 4741 1 11 . 1 1 83 83 HIS H H 83 8.566 8.566 7.304 1.262 18954 4742 1 11 . 1 1 84 84 ASP N N 84 125.751 125.751 123.540 2.211 18954 4743 1 11 . 1 1 84 84 ASP HA H 84 4.999 4.999 5.173 -0.174 18954 4744 1 11 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.325 -2.706 18954 4745 1 11 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.063 -1.322 18954 4746 1 11 . 1 1 84 84 ASP H H 84 8.913 8.913 8.575 0.338 18954 4747 1 11 . 1 1 85 85 SER N N 85 116.332 116.332 121.186 -4.854 18954 4748 1 11 . 1 1 85 85 SER HA H 85 4.924 4.924 4.436 0.488 18954 4749 1 11 . 1 1 85 85 SER CA C 85 53.657 53.657 58.754 -5.097 18954 4750 1 11 . 1 1 85 85 SER CB C 85 64.982 64.982 64.093 0.889 18954 4751 1 11 . 1 1 85 85 SER H H 85 9.621 9.621 8.270 1.351 18954 4752 1 11 . 1 1 86 86 ARG N N 86 118.680 118.680 121.198 -2.518 18954 4753 1 11 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.302 -0.244 18954 4754 1 11 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.322 -2.475 18954 4755 1 11 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.108 -2.976 18954 4756 1 11 . 1 1 86 86 ARG H H 86 8.695 8.695 8.779 -0.084 18954 4757 1 11 . 1 1 87 87 ARG N N 87 117.323 117.323 117.887 -0.564 18954 4758 1 11 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.475 -0.199 18954 4759 1 11 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.552 -1.563 18954 4760 1 11 . 1 1 87 87 ARG CB C 87 29.582 29.582 31.729 -2.147 18954 4761 1 11 . 1 1 87 87 ARG H H 87 7.710 7.710 8.261 -0.551 18954 4762 1 11 . 1 1 88 88 TRP N N 88 115.976 115.976 120.461 -4.485 18954 4763 1 11 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.515 0.362 18954 4764 1 11 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.287 -3.876 18954 4765 1 11 . 1 1 88 88 TRP CB C 88 32.110 32.110 31.041 1.069 18954 4766 1 11 . 1 1 88 88 TRP H H 88 7.374 7.374 7.875 -0.501 18954 4767 1 11 . 1 1 89 89 GLN N N 89 118.426 118.426 121.808 -3.382 18954 4768 1 11 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.849 0.678 18954 4769 1 11 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.542 -2.877 18954 4770 1 11 . 1 1 89 89 GLN CB C 89 29.926 29.926 30.803 -0.877 18954 4771 1 11 . 1 1 89 89 GLN H H 89 8.803 8.803 8.865 -0.062 18954 4772 1 11 . 1 1 90 90 LEU N N 90 127.680 127.680 124.854 2.826 18954 4773 1 11 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.516 0.713 18954 4774 1 11 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.963 -3.117 18954 4775 1 11 . 1 1 90 90 LEU CB C 90 39.965 39.965 43.002 -3.037 18954 4776 1 11 . 1 1 90 90 LEU H H 90 8.518 8.518 8.513 0.005 18954 4777 1 11 . 1 1 91 91 SER N N 91 121.513 121.513 114.970 6.543 18954 4778 1 11 . 1 1 91 91 SER HA H 91 4.639 4.639 4.560 0.079 18954 4779 1 11 . 1 1 91 91 SER CA C 91 54.241 54.241 58.433 -4.192 18954 4780 1 11 . 1 1 91 91 SER CB C 91 63.274 63.274 65.222 -1.948 18954 4781 1 11 . 1 1 91 91 SER H H 91 8.979 8.979 8.046 0.933 18954 4782 1 11 . 1 1 92 92 VAL N N 92 120.290 120.290 120.144 0.146 18954 4783 1 11 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.076 0.040 18954 4784 1 11 . 1 1 92 92 VAL CA C 92 59.889 59.889 60.810 -0.921 18954 4785 1 11 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.318 -5.093 18954 4786 1 11 . 1 1 92 92 VAL H H 92 8.277 8.277 8.249 0.028 18954 4787 1 11 . 1 1 93 93 ALA N N 93 130.076 130.076 128.805 1.271 18954 4788 1 11 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.361 -0.182 18954 4789 1 11 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.516 -2.323 18954 4790 1 11 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.364 -2.744 18954 4791 1 11 . 1 1 93 93 ALA H H 93 8.521 8.521 8.456 0.065 18954 4792 1 11 . 1 1 94 94 THR N N 94 113.705 113.705 111.285 2.420 18954 4793 1 11 . 1 1 94 94 THR HA H 94 4.190 4.190 4.414 -0.224 18954 4794 1 11 . 1 1 94 94 THR CA C 94 65.409 65.409 62.856 2.553 18954 4795 1 11 . 1 1 94 94 THR CB C 94 67.702 67.702 70.625 -2.923 18954 4796 1 11 . 1 1 94 94 THR H H 94 8.099 8.099 8.346 -0.247 18954 4797 1 12 . 1 1 3 3 ILE N N 3 123.622 123.622 122.069 1.553 18954 4798 1 12 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.551 -0.436 18954 4799 1 12 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.231 -2.929 18954 4800 1 12 . 1 1 3 3 ILE CB C 3 36.212 36.212 39.834 -3.622 18954 4801 1 12 . 1 1 3 3 ILE H H 3 8.271 8.271 8.433 -0.162 18954 4802 1 12 . 1 1 4 4 SER N N 4 120.605 120.605 120.864 -0.259 18954 4803 1 12 . 1 1 4 4 SER HA H 4 4.368 4.368 5.251 -0.883 18954 4804 1 12 . 1 1 4 4 SER CA C 4 55.796 55.796 57.292 -1.496 18954 4805 1 12 . 1 1 4 4 SER CB C 4 60.945 60.945 66.226 -5.281 18954 4806 1 12 . 1 1 4 4 SER H H 4 8.425 8.425 8.867 -0.442 18954 4807 1 12 . 1 1 5 5 GLY N N 5 111.455 111.455 108.924 2.531 18954 4808 1 12 . 1 1 5 5 GLY CA C 5 42.781 42.781 46.295 -3.514 18954 4809 1 12 . 1 1 5 5 GLY H H 5 8.406 8.406 8.548 -0.142 18954 4810 1 12 . 1 1 6 6 ALA N N 6 123.660 123.660 124.441 -0.781 18954 4811 1 12 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.458 -0.139 18954 4812 1 12 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.600 -2.706 18954 4813 1 12 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.038 -2.110 18954 4814 1 12 . 1 1 6 6 ALA H H 6 8.103 8.103 8.413 -0.310 18954 4815 1 12 . 1 1 7 7 THR N N 7 113.014 113.014 111.622 1.392 18954 4816 1 12 . 1 1 7 7 THR HA H 7 4.309 4.309 4.578 -0.269 18954 4817 1 12 . 1 1 7 7 THR CA C 7 58.886 58.886 60.968 -2.082 18954 4818 1 12 . 1 1 7 7 THR CB C 7 67.461 67.461 70.707 -3.246 18954 4819 1 12 . 1 1 7 7 THR H H 7 8.108 8.108 7.785 0.323 18954 4820 1 12 . 1 1 8 8 SER N N 8 118.032 118.032 116.454 1.578 18954 4821 1 12 . 1 1 8 8 SER HA H 8 4.434 4.434 4.444 -0.010 18954 4822 1 12 . 1 1 8 8 SER CA C 8 55.537 55.537 58.098 -2.561 18954 4823 1 12 . 1 1 8 8 SER CB C 8 61.305 61.305 64.207 -2.902 18954 4824 1 12 . 1 1 8 8 SER H H 8 8.222 8.222 8.237 -0.015 18954 4825 1 12 . 1 1 9 9 VAL N N 9 121.129 121.129 116.058 5.071 18954 4826 1 12 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.115 -0.093 18954 4827 1 12 . 1 1 9 9 VAL CA C 9 60.014 60.014 63.028 -3.014 18954 4828 1 12 . 1 1 9 9 VAL CB C 9 30.139 30.139 31.768 -1.629 18954 4829 1 12 . 1 1 9 9 VAL H H 9 8.098 8.098 8.188 -0.090 18954 4830 1 12 . 1 1 10 10 ASP N N 10 123.102 123.102 122.149 0.953 18954 4831 1 12 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.896 -0.393 18954 4832 1 12 . 1 1 10 10 ASP CA C 10 51.635 51.635 53.929 -2.294 18954 4833 1 12 . 1 1 10 10 ASP CB C 10 38.671 38.671 39.978 -1.307 18954 4834 1 12 . 1 1 10 10 ASP H H 10 8.242 8.242 8.007 0.235 18954 4835 1 12 . 1 1 11 11 GLN N N 11 121.449 121.449 117.293 4.156 18954 4836 1 12 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.509 -0.344 18954 4837 1 12 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.791 -2.018 18954 4838 1 12 . 1 1 11 11 GLN CB C 11 26.558 26.558 28.877 -2.319 18954 4839 1 12 . 1 1 11 11 GLN H H 11 8.247 8.247 7.955 0.292 18954 4840 1 12 . 1 1 12 12 ARG N N 12 121.029 121.029 123.246 -2.217 18954 4841 1 12 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.375 -0.148 18954 4842 1 12 . 1 1 12 12 ARG CA C 12 59.634 59.634 57.214 2.421 18954 4843 1 12 . 1 1 12 12 ARG CB C 12 28.284 28.284 30.864 -2.580 18954 4844 1 12 . 1 1 12 12 ARG H H 12 8.215 8.215 8.752 -0.537 18954 4845 1 12 . 1 1 13 13 SER N N 13 121.168 121.168 110.975 10.193 18954 4846 1 12 . 1 1 13 13 SER HA H 13 4.327 4.327 4.536 -0.209 18954 4847 1 12 . 1 1 13 13 SER CA C 13 56.317 56.317 57.556 -1.239 18954 4848 1 12 . 1 1 13 13 SER CB C 13 61.153 61.153 64.017 -2.864 18954 4849 1 12 . 1 1 13 13 SER H H 13 8.483 8.483 7.833 0.650 18954 4850 1 12 . 1 1 14 14 LEU N N 14 115.731 115.731 125.229 -9.498 18954 4851 1 12 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.451 -0.204 18954 4852 1 12 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.121 -3.248 18954 4853 1 12 . 1 1 14 14 LEU CB C 14 39.689 39.689 40.585 -0.896 18954 4854 1 12 . 1 1 14 14 LEU H H 14 8.124 8.124 8.649 -0.525 18954 4855 1 12 . 1 1 15 15 ILE N N 15 119.991 119.991 114.458 5.533 18954 4856 1 12 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.407 -0.410 18954 4857 1 12 . 1 1 15 15 ILE CA C 15 58.840 58.840 61.425 -2.585 18954 4858 1 12 . 1 1 15 15 ILE CB C 15 36.205 36.205 38.802 -2.597 18954 4859 1 12 . 1 1 15 15 ILE H H 15 7.859 7.859 7.996 -0.137 18954 4860 1 12 . 1 1 16 16 ASN N N 16 120.780 120.780 122.220 -1.440 18954 4861 1 12 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.523 0.190 18954 4862 1 12 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.271 -1.818 18954 4863 1 12 . 1 1 16 16 ASN H H 16 8.014 8.014 8.129 -0.115 18954 4864 1 12 . 1 1 17 17 SER N N 17 115.640 115.640 112.036 3.604 18954 4865 1 12 . 1 1 17 17 SER HA H 17 4.300 4.300 4.604 -0.304 18954 4866 1 12 . 1 1 17 17 SER CA C 17 56.001 56.001 58.498 -2.497 18954 4867 1 12 . 1 1 17 17 SER CB C 17 60.894 60.894 63.044 -2.150 18954 4868 1 12 . 1 1 17 17 SER H H 17 8.121 8.121 7.863 0.258 18954 4869 1 12 . 1 1 18 18 ASN N N 18 121.876 121.876 119.931 1.945 18954 4870 1 12 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.907 -0.176 18954 4871 1 12 . 1 1 18 18 ASN CB C 18 36.293 36.293 40.326 -4.033 18954 4872 1 12 . 1 1 18 18 ASN H H 18 8.376 8.376 8.213 0.163 18954 4873 1 12 . 1 1 19 19 VAL N N 19 120.480 120.480 121.275 -0.795 18954 4874 1 12 . 1 1 19 19 VAL HA H 19 4.029 4.029 3.869 0.160 18954 4875 1 12 . 1 1 19 19 VAL CA C 19 60.348 60.348 63.630 -3.281 18954 4876 1 12 . 1 1 19 19 VAL CB C 19 29.903 29.903 31.928 -2.025 18954 4877 1 12 . 1 1 19 19 VAL H H 19 8.022 8.022 7.666 0.356 18954 4878 1 12 . 1 1 20 20 GLY N N 20 112.265 112.265 117.519 -5.254 18954 4879 1 12 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.904 -3.206 18954 4880 1 12 . 1 1 20 20 GLY H H 20 8.567 8.567 8.160 0.407 18954 4881 1 12 . 1 1 21 21 PHE N N 21 119.701 119.701 119.677 0.024 18954 4882 1 12 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.403 -0.270 18954 4883 1 12 . 1 1 21 21 PHE CA C 21 54.358 54.358 56.550 -2.192 18954 4884 1 12 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.406 -2.512 18954 4885 1 12 . 1 1 21 21 PHE H H 21 7.917 7.917 8.366 -0.449 18954 4886 1 12 . 1 1 22 22 VAL N N 22 120.733 120.733 122.692 -1.959 18954 4887 1 12 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.575 -0.314 18954 4888 1 12 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.861 -2.889 18954 4889 1 12 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.332 -2.254 18954 4890 1 12 . 1 1 22 22 VAL H H 22 9.221 9.221 8.861 0.360 18954 4891 1 12 . 1 1 23 23 THR N N 23 123.388 123.388 120.586 2.802 18954 4892 1 12 . 1 1 23 23 THR HA H 23 4.967 4.967 4.687 0.280 18954 4893 1 12 . 1 1 23 23 THR CA C 23 59.731 59.731 62.740 -3.009 18954 4894 1 12 . 1 1 23 23 THR CB C 23 66.715 66.715 69.395 -2.680 18954 4895 1 12 . 1 1 23 23 THR H H 23 8.403 8.403 8.306 0.097 18954 4896 1 12 . 1 1 24 24 MET N N 24 125.957 125.957 119.814 6.143 18954 4897 1 12 . 1 1 24 24 MET HA H 24 4.702 4.702 5.182 -0.480 18954 4898 1 12 . 1 1 24 24 MET CA C 24 51.056 51.056 53.949 -2.893 18954 4899 1 12 . 1 1 24 24 MET CB C 24 32.115 32.115 36.365 -4.250 18954 4900 1 12 . 1 1 24 24 MET H H 24 9.289 9.289 8.278 1.011 18954 4901 1 12 . 1 1 25 25 ILE N N 25 117.652 117.652 119.600 -1.948 18954 4902 1 12 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.332 0.067 18954 4903 1 12 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.825 -3.066 18954 4904 1 12 . 1 1 25 25 ILE CB C 25 37.870 37.870 38.758 -0.888 18954 4905 1 12 . 1 1 25 25 ILE H H 25 8.572 8.572 8.568 0.004 18954 4906 1 12 . 1 1 26 26 LEU N N 26 130.281 130.281 128.985 1.296 18954 4907 1 12 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.578 0.636 18954 4908 1 12 . 1 1 26 26 LEU CA C 26 50.111 50.111 54.067 -3.956 18954 4909 1 12 . 1 1 26 26 LEU CB C 26 41.363 41.363 43.528 -2.165 18954 4910 1 12 . 1 1 26 26 LEU H H 26 8.901 8.901 8.751 0.150 18954 4911 1 12 . 1 1 27 27 GLN N N 27 125.400 125.400 121.006 4.394 18954 4912 1 12 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.786 -0.013 18954 4913 1 12 . 1 1 27 27 GLN CB C 27 29.511 29.511 32.912 -3.401 18954 4914 1 12 . 1 1 27 27 GLN H H 27 9.330 9.330 8.218 1.112 18954 4915 1 12 . 1 1 28 28 CYS N N 28 124.065 124.065 119.598 4.467 18954 4916 1 12 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.719 0.404 18954 4917 1 12 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.884 -3.849 18954 4918 1 12 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.347 -0.168 18954 4919 1 12 . 1 1 28 28 CYS H H 28 8.585 8.585 8.063 0.522 18954 4920 1 12 . 1 1 29 29 SER N N 29 121.076 121.076 123.387 -2.311 18954 4921 1 12 . 1 1 29 29 SER HA H 29 4.160 4.160 4.384 -0.224 18954 4922 1 12 . 1 1 29 29 SER CA C 29 57.073 57.073 59.028 -1.955 18954 4923 1 12 . 1 1 29 29 SER CB C 29 60.725 60.725 62.056 -1.331 18954 4924 1 12 . 1 1 29 29 SER H H 29 8.519 8.519 8.366 0.153 18954 4925 1 12 . 1 1 30 30 ILE N N 30 117.987 117.987 114.931 3.056 18954 4926 1 12 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.555 -0.247 18954 4927 1 12 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.634 -2.053 18954 4928 1 12 . 1 1 30 30 ILE CB C 30 39.391 39.391 40.795 -1.404 18954 4929 1 12 . 1 1 30 30 ILE H H 30 7.343 7.343 7.290 0.053 18954 4930 1 12 . 1 1 31 31 GLU N N 31 119.585 119.585 120.541 -0.956 18954 4931 1 12 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.264 -0.586 18954 4932 1 12 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.969 -2.745 18954 4933 1 12 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.269 -2.908 18954 4934 1 12 . 1 1 31 31 GLU H H 31 7.901 7.901 8.296 -0.395 18954 4935 1 12 . 1 1 32 32 MET N N 32 126.504 126.504 126.629 -0.125 18954 4936 1 12 . 1 1 32 32 MET HA H 32 4.297 4.297 4.640 -0.343 18954 4937 1 12 . 1 1 32 32 MET CA C 32 50.919 50.919 53.327 -2.408 18954 4938 1 12 . 1 1 32 32 MET CB C 32 32.696 32.696 32.486 0.210 18954 4939 1 12 . 1 1 32 32 MET H H 32 8.406 8.406 8.760 -0.354 18954 4940 1 12 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.366 -0.175 18954 4941 1 12 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.192 -2.425 18954 4942 1 12 . 1 1 33 33 PRO CB C 33 30.026 30.026 32.098 -2.072 18954 4943 1 12 . 1 1 34 34 ASN N N 34 107.313 107.313 113.122 -5.809 18954 4944 1 12 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.089 -0.273 18954 4945 1 12 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.764 -1.792 18954 4946 1 12 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.968 -2.831 18954 4947 1 12 . 1 1 34 34 ASN H H 34 7.077 7.077 8.002 -0.925 18954 4948 1 12 . 1 1 35 35 ILE N N 35 122.015 122.015 121.646 0.369 18954 4949 1 12 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.908 0.035 18954 4950 1 12 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.107 -1.332 18954 4951 1 12 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.319 -1.929 18954 4952 1 12 . 1 1 35 35 ILE H H 35 9.109 9.109 9.132 -0.023 18954 4953 1 12 . 1 1 36 36 SER N N 36 119.851 119.851 116.185 3.666 18954 4954 1 12 . 1 1 36 36 SER HA H 36 4.366 4.366 4.436 -0.070 18954 4955 1 12 . 1 1 36 36 SER CA C 36 59.274 59.274 62.029 -2.755 18954 4956 1 12 . 1 1 36 36 SER CB C 36 59.818 59.818 62.794 -2.977 18954 4957 1 12 . 1 1 36 36 SER H H 36 8.936 8.936 8.330 0.606 18954 4958 1 12 . 1 1 37 37 TYR N N 37 122.338 122.338 122.060 0.278 18954 4959 1 12 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.235 -0.032 18954 4960 1 12 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.650 -3.465 18954 4961 1 12 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.170 -1.777 18954 4962 1 12 . 1 1 37 37 TYR H H 37 7.808 7.808 8.129 -0.321 18954 4963 1 12 . 1 1 38 38 ALA N N 38 120.761 120.761 122.873 -2.112 18954 4964 1 12 . 1 1 38 38 ALA HA H 38 3.871 3.871 4.030 -0.159 18954 4965 1 12 . 1 1 38 38 ALA CA C 38 51.797 51.797 55.254 -3.457 18954 4966 1 12 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.948 -1.292 18954 4967 1 12 . 1 1 38 38 ALA H H 38 7.364 7.364 7.852 -0.488 18954 4968 1 12 . 1 1 39 39 TRP N N 39 115.813 115.813 118.381 -2.568 18954 4969 1 12 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.086 -0.010 18954 4970 1 12 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.197 -2.467 18954 4971 1 12 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.183 -1.471 18954 4972 1 12 . 1 1 39 39 TRP H H 39 7.134 7.134 7.590 -0.456 18954 4973 1 12 . 1 1 40 40 LYS N N 40 117.209 117.209 118.649 -1.440 18954 4974 1 12 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.874 -0.025 18954 4975 1 12 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.079 -3.095 18954 4976 1 12 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.124 -2.135 18954 4977 1 12 . 1 1 40 40 LYS H H 40 8.091 8.091 8.367 -0.276 18954 4978 1 12 . 1 1 41 41 GLU N N 41 119.521 119.521 119.119 0.402 18954 4979 1 12 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.957 -0.003 18954 4980 1 12 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.283 -3.381 18954 4981 1 12 . 1 1 41 41 GLU CB C 41 25.922 25.922 29.015 -3.093 18954 4982 1 12 . 1 1 41 41 GLU H H 41 6.674 6.674 7.524 -0.850 18954 4983 1 12 . 1 1 42 42 LEU N N 42 117.269 117.269 119.990 -2.721 18954 4984 1 12 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.153 -0.266 18954 4985 1 12 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.213 -2.373 18954 4986 1 12 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.826 -1.988 18954 4987 1 12 . 1 1 42 42 LEU H H 42 7.866 7.866 8.100 -0.234 18954 4988 1 12 . 1 1 43 43 LYS N N 43 117.633 117.633 120.014 -2.381 18954 4989 1 12 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.212 -0.243 18954 4990 1 12 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.660 -3.653 18954 4991 1 12 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.204 -2.112 18954 4992 1 12 . 1 1 43 43 LYS H H 43 8.458 8.458 8.492 -0.034 18954 4993 1 12 . 1 1 44 44 GLU N N 44 120.906 120.906 117.122 3.784 18954 4994 1 12 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.074 -0.231 18954 4995 1 12 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.743 -1.788 18954 4996 1 12 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.604 -2.749 18954 4997 1 12 . 1 1 44 44 GLU H H 44 8.013 8.013 8.043 -0.030 18954 4998 1 12 . 1 1 45 45 GLN N N 45 113.584 113.584 116.625 -3.041 18954 4999 1 12 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.235 -0.097 18954 5000 1 12 . 1 1 45 45 GLN CA C 45 58.177 58.177 56.974 1.203 18954 5001 1 12 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.512 -1.976 18954 5002 1 12 . 1 1 45 45 GLN H H 45 7.665 7.665 7.567 0.098 18954 5003 1 12 . 1 1 46 46 LEU N N 46 114.594 114.594 117.474 -2.880 18954 5004 1 12 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.406 0.064 18954 5005 1 12 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.716 -3.787 18954 5006 1 12 . 1 1 46 46 LEU CB C 46 39.636 39.636 43.008 -3.372 18954 5007 1 12 . 1 1 46 46 LEU H H 46 8.652 8.652 8.360 0.292 18954 5008 1 12 . 1 1 47 47 GLY N N 47 110.084 110.084 106.357 3.727 18954 5009 1 12 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.263 -2.424 18954 5010 1 12 . 1 1 47 47 GLY H H 47 7.642 7.642 7.478 0.164 18954 5011 1 12 . 1 1 48 48 GLU N N 48 118.535 118.535 121.865 -3.330 18954 5012 1 12 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.024 -0.312 18954 5013 1 12 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.847 -2.425 18954 5014 1 12 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.749 -2.284 18954 5015 1 12 . 1 1 48 48 GLU H H 48 8.348 8.348 8.909 -0.561 18954 5016 1 12 . 1 1 49 49 GLU N N 49 114.460 114.460 117.076 -2.616 18954 5017 1 12 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.198 0.175 18954 5018 1 12 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.950 -2.537 18954 5019 1 12 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.672 -2.711 18954 5020 1 12 . 1 1 49 49 GLU H H 49 8.498 8.498 8.301 0.197 18954 5021 1 12 . 1 1 50 50 ILE N N 50 121.524 121.524 122.216 -0.692 18954 5022 1 12 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.751 0.351 18954 5023 1 12 . 1 1 50 50 ILE CA C 50 57.703 57.703 63.436 -5.733 18954 5024 1 12 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.180 -2.443 18954 5025 1 12 . 1 1 50 50 ILE H H 50 7.617 7.617 7.629 -0.012 18954 5026 1 12 . 1 1 51 51 ASP N N 51 119.881 119.881 119.109 0.772 18954 5027 1 12 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.359 -0.059 18954 5028 1 12 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.411 -2.879 18954 5029 1 12 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.492 -2.294 18954 5030 1 12 . 1 1 51 51 ASP H H 51 7.926 7.926 8.470 -0.544 18954 5031 1 12 . 1 1 52 52 SER N N 52 113.164 113.164 115.082 -1.918 18954 5032 1 12 . 1 1 52 52 SER HA H 52 4.403 4.403 4.258 0.145 18954 5033 1 12 . 1 1 52 52 SER CA C 52 56.968 56.968 59.947 -2.979 18954 5034 1 12 . 1 1 52 52 SER CB C 52 61.183 61.183 63.311 -2.128 18954 5035 1 12 . 1 1 52 52 SER H H 52 7.888 7.888 7.620 0.268 18954 5036 1 12 . 1 1 53 53 LYS N N 53 120.411 120.411 119.672 0.739 18954 5037 1 12 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.509 -0.055 18954 5038 1 12 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.982 -2.169 18954 5039 1 12 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.857 -0.498 18954 5040 1 12 . 1 1 53 53 LYS H H 53 7.714 7.714 7.804 -0.090 18954 5041 1 12 . 1 1 54 54 VAL N N 54 116.701 116.701 117.651 -0.950 18954 5042 1 12 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.247 0.220 18954 5043 1 12 . 1 1 54 54 VAL CA C 54 59.565 59.565 61.338 -1.773 18954 5044 1 12 . 1 1 54 54 VAL CB C 54 30.833 30.833 34.044 -3.211 18954 5045 1 12 . 1 1 54 54 VAL H H 54 7.041 7.041 7.268 -0.227 18954 5046 1 12 . 1 1 55 55 LYS N N 55 125.891 125.891 121.638 4.253 18954 5047 1 12 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.660 0.088 18954 5048 1 12 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.685 -3.083 18954 5049 1 12 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.693 -0.405 18954 5050 1 12 . 1 1 55 55 LYS H H 55 9.138 9.138 8.272 0.866 18954 5051 1 12 . 1 1 56 56 GLY N N 56 109.312 109.312 109.165 0.147 18954 5052 1 12 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.141 -0.425 18954 5053 1 12 . 1 1 56 56 GLY H H 56 8.489 8.489 8.519 -0.030 18954 5054 1 12 . 1 1 57 57 MET N N 57 118.391 118.391 127.324 -8.933 18954 5055 1 12 . 1 1 57 57 MET HA H 57 4.930 4.930 4.448 0.482 18954 5056 1 12 . 1 1 57 57 MET CA C 57 53.906 53.906 56.961 -3.055 18954 5057 1 12 . 1 1 57 57 MET CB C 57 30.841 30.841 33.467 -2.626 18954 5058 1 12 . 1 1 57 57 MET H H 57 8.039 8.039 7.963 0.076 18954 5059 1 12 . 1 1 58 58 VAL N N 58 124.257 124.257 118.576 5.681 18954 5060 1 12 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.740 -0.291 18954 5061 1 12 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.122 -3.072 18954 5062 1 12 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.956 -1.100 18954 5063 1 12 . 1 1 58 58 VAL H H 58 8.780 8.780 8.863 -0.083 18954 5064 1 12 . 1 1 59 59 PHE N N 59 120.512 120.512 120.146 0.366 18954 5065 1 12 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.722 0.253 18954 5066 1 12 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.359 -2.795 18954 5067 1 12 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.810 -2.120 18954 5068 1 12 . 1 1 59 59 PHE H H 59 8.432 8.432 8.476 -0.044 18954 5069 1 12 . 1 1 60 60 LEU N N 60 120.934 120.934 122.396 -1.462 18954 5070 1 12 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.448 -0.072 18954 5071 1 12 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.283 -3.056 18954 5072 1 12 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.286 -2.761 18954 5073 1 12 . 1 1 60 60 LEU H H 60 8.291 8.291 8.435 -0.144 18954 5074 1 12 . 1 1 61 61 LYS N N 61 122.117 122.117 121.610 0.507 18954 5075 1 12 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.229 -0.248 18954 5076 1 12 . 1 1 61 61 LYS CA C 61 55.543 55.543 56.414 -0.871 18954 5077 1 12 . 1 1 61 61 LYS CB C 61 29.642 29.642 30.215 -0.573 18954 5078 1 12 . 1 1 61 61 LYS H H 61 8.371 8.371 8.485 -0.114 18954 5079 1 12 . 1 1 62 62 GLY N N 62 114.590 114.590 108.632 5.958 18954 5080 1 12 . 1 1 62 62 GLY CA C 62 42.972 42.972 45.384 -2.412 18954 5081 1 12 . 1 1 62 62 GLY H H 62 8.870 8.870 7.926 0.944 18954 5082 1 12 . 1 1 63 63 LYS N N 63 111.406 111.406 119.223 -7.817 18954 5083 1 12 . 1 1 63 63 LYS H H 63 8.129 8.129 8.281 -0.152 18954 5084 1 12 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.853 -0.387 18954 5085 1 12 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.037 -1.766 18954 5086 1 12 . 1 1 64 64 LEU CB C 64 38.456 38.456 41.813 -3.357 18954 5087 1 12 . 1 1 65 65 GLY N N 65 105.164 105.164 104.088 1.076 18954 5088 1 12 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.361 -2.769 18954 5089 1 12 . 1 1 65 65 GLY H H 65 7.375 7.375 7.405 -0.030 18954 5090 1 12 . 1 1 66 66 VAL N N 66 111.490 111.490 118.630 -7.140 18954 5091 1 12 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.936 0.455 18954 5092 1 12 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.594 -3.327 18954 5093 1 12 . 1 1 66 66 VAL CB C 66 34.051 34.051 36.006 -1.955 18954 5094 1 12 . 1 1 66 66 VAL H H 66 9.127 9.127 7.890 1.237 18954 5095 1 12 . 1 1 67 67 CYS N N 67 116.847 116.847 118.240 -1.393 18954 5096 1 12 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.095 0.399 18954 5097 1 12 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.437 -2.567 18954 5098 1 12 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.384 -2.899 18954 5099 1 12 . 1 1 67 67 CYS H H 67 8.914 8.914 9.081 -0.167 18954 5100 1 12 . 1 1 68 68 PHE N N 68 116.013 116.013 115.051 0.962 18954 5101 1 12 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.775 -0.135 18954 5102 1 12 . 1 1 68 68 PHE CA C 68 53.636 53.636 57.106 -3.470 18954 5103 1 12 . 1 1 68 68 PHE CB C 68 36.964 36.964 39.816 -2.852 18954 5104 1 12 . 1 1 68 68 PHE H H 68 8.118 8.118 7.722 0.396 18954 5105 1 12 . 1 1 69 69 ASP N N 69 119.562 119.562 119.928 -0.366 18954 5106 1 12 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.508 0.229 18954 5107 1 12 . 1 1 69 69 ASP CA C 69 50.163 50.163 53.634 -3.471 18954 5108 1 12 . 1 1 69 69 ASP CB C 69 40.589 40.589 44.138 -3.549 18954 5109 1 12 . 1 1 69 69 ASP H H 69 8.999 8.999 8.487 0.512 18954 5110 1 12 . 1 1 70 70 VAL N N 70 114.283 114.283 115.152 -0.869 18954 5111 1 12 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.731 0.603 18954 5112 1 12 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.936 -2.972 18954 5113 1 12 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.495 -2.959 18954 5114 1 12 . 1 1 70 70 VAL H H 70 8.913 8.913 8.746 0.167 18954 5115 1 12 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.701 0.526 18954 5116 1 12 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.893 -2.055 18954 5117 1 12 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.881 -2.408 18954 5118 1 12 . 1 1 72 72 THR N N 72 121.039 121.039 120.336 0.703 18954 5119 1 12 . 1 1 72 72 THR HA H 72 3.597 3.597 3.760 -0.163 18954 5120 1 12 . 1 1 72 72 THR CA C 72 63.671 63.671 67.132 -3.461 18954 5121 1 12 . 1 1 72 72 THR CB C 72 65.826 65.826 68.291 -2.465 18954 5122 1 12 . 1 1 72 72 THR H H 72 8.235 8.235 8.672 -0.437 18954 5123 1 12 . 1 1 73 73 ALA N N 73 120.196 120.196 122.831 -2.635 18954 5124 1 12 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.052 0.091 18954 5125 1 12 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.658 -3.187 18954 5126 1 12 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.948 -1.853 18954 5127 1 12 . 1 1 73 73 ALA H H 73 8.466 8.466 8.582 -0.116 18954 5128 1 12 . 1 1 74 74 SER N N 74 112.214 112.214 114.106 -1.892 18954 5129 1 12 . 1 1 74 74 SER HA H 74 4.552 4.552 4.363 0.189 18954 5130 1 12 . 1 1 74 74 SER CA C 74 57.492 57.492 60.848 -3.356 18954 5131 1 12 . 1 1 74 74 SER CB C 74 62.101 62.101 63.554 -1.453 18954 5132 1 12 . 1 1 74 74 SER H H 74 8.019 8.019 7.553 0.466 18954 5133 1 12 . 1 1 75 75 VAL N N 75 121.652 121.652 122.673 -1.021 18954 5134 1 12 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.634 -0.379 18954 5135 1 12 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.695 -1.688 18954 5136 1 12 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.629 -2.279 18954 5137 1 12 . 1 1 75 75 VAL H H 75 7.222 7.222 7.896 -0.674 18954 5138 1 12 . 1 1 76 76 THR N N 76 113.812 113.812 112.456 1.356 18954 5139 1 12 . 1 1 76 76 THR HA H 76 3.963 3.963 4.093 -0.130 18954 5140 1 12 . 1 1 76 76 THR CA C 76 63.804 63.804 64.931 -1.127 18954 5141 1 12 . 1 1 76 76 THR CB C 76 65.567 65.567 68.293 -2.726 18954 5142 1 12 . 1 1 76 76 THR H H 76 8.107 8.107 7.592 0.515 18954 5143 1 12 . 1 1 77 77 GLU N N 77 121.634 121.634 121.983 -0.349 18954 5144 1 12 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.362 -0.329 18954 5145 1 12 . 1 1 77 77 GLU CA C 77 56.356 56.356 58.243 -1.887 18954 5146 1 12 . 1 1 77 77 GLU CB C 77 27.032 27.032 30.580 -3.548 18954 5147 1 12 . 1 1 77 77 GLU H H 77 7.737 7.737 7.912 -0.175 18954 5148 1 12 . 1 1 78 78 ILE N N 78 119.383 119.383 121.874 -2.491 18954 5149 1 12 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.663 -0.052 18954 5150 1 12 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.925 -2.836 18954 5151 1 12 . 1 1 78 78 ILE CB C 78 35.616 35.616 38.036 -2.420 18954 5152 1 12 . 1 1 78 78 ILE H H 78 7.694 7.694 8.446 -0.752 18954 5153 1 12 . 1 1 79 79 GLN N N 79 116.015 116.015 117.827 -1.812 18954 5154 1 12 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.009 -0.081 18954 5155 1 12 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.668 -2.000 18954 5156 1 12 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.341 -1.934 18954 5157 1 12 . 1 1 79 79 GLN H H 79 8.319 8.319 7.711 0.608 18954 5158 1 12 . 1 1 80 80 GLU N N 80 116.824 116.824 117.256 -0.432 18954 5159 1 12 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.262 -0.195 18954 5160 1 12 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.064 -2.473 18954 5161 1 12 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.740 -2.311 18954 5162 1 12 . 1 1 80 80 GLU H H 80 7.884 7.884 8.023 -0.139 18954 5163 1 12 . 1 1 81 81 LYS N N 81 118.113 118.113 117.124 0.989 18954 5164 1 12 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.308 -0.114 18954 5165 1 12 . 1 1 81 81 LYS CA C 81 54.843 54.843 57.060 -2.217 18954 5166 1 12 . 1 1 81 81 LYS CB C 81 32.776 32.776 32.989 -0.213 18954 5167 1 12 . 1 1 81 81 LYS H H 81 7.396 7.396 7.832 -0.436 18954 5168 1 12 . 1 1 82 82 TRP N N 82 119.572 119.572 121.488 -1.916 18954 5169 1 12 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.421 -0.309 18954 5170 1 12 . 1 1 82 82 TRP CA C 82 55.919 55.919 58.369 -2.450 18954 5171 1 12 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.376 -2.923 18954 5172 1 12 . 1 1 82 82 TRP H H 82 7.966 7.966 7.705 0.261 18954 5173 1 12 . 1 1 83 83 HIS N N 83 126.139 126.139 119.378 6.761 18954 5174 1 12 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.670 -0.006 18954 5175 1 12 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.309 -2.654 18954 5176 1 12 . 1 1 83 83 HIS CB C 83 28.017 28.017 31.401 -3.384 18954 5177 1 12 . 1 1 83 83 HIS H H 83 8.566 8.566 7.070 1.496 18954 5178 1 12 . 1 1 84 84 ASP N N 84 125.751 125.751 126.399 -0.648 18954 5179 1 12 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.737 0.262 18954 5180 1 12 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.765 -2.146 18954 5181 1 12 . 1 1 84 84 ASP CB C 84 39.741 39.741 42.419 -2.678 18954 5182 1 12 . 1 1 84 84 ASP H H 84 8.913 8.913 8.463 0.450 18954 5183 1 12 . 1 1 85 85 SER N N 85 116.332 116.332 117.053 -0.721 18954 5184 1 12 . 1 1 85 85 SER HA H 85 4.924 4.924 4.695 0.229 18954 5185 1 12 . 1 1 85 85 SER CA C 85 53.657 53.657 56.245 -2.588 18954 5186 1 12 . 1 1 85 85 SER CB C 85 64.982 64.982 65.582 -0.600 18954 5187 1 12 . 1 1 85 85 SER H H 85 9.621 9.621 8.360 1.261 18954 5188 1 12 . 1 1 86 86 ARG N N 86 118.680 118.680 123.297 -4.617 18954 5189 1 12 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.120 -0.062 18954 5190 1 12 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.922 -3.075 18954 5191 1 12 . 1 1 86 86 ARG CB C 86 27.132 27.132 29.499 -2.367 18954 5192 1 12 . 1 1 86 86 ARG H H 86 8.695 8.695 8.776 -0.081 18954 5193 1 12 . 1 1 87 87 ARG N N 87 117.323 117.323 118.510 -1.187 18954 5194 1 12 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.393 -0.117 18954 5195 1 12 . 1 1 87 87 ARG CA C 87 53.989 53.989 56.643 -2.654 18954 5196 1 12 . 1 1 87 87 ARG CB C 87 29.582 29.582 31.859 -2.277 18954 5197 1 12 . 1 1 87 87 ARG H H 87 7.710 7.710 8.027 -0.317 18954 5198 1 12 . 1 1 88 88 TRP N N 88 115.976 115.976 118.491 -2.515 18954 5199 1 12 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.458 0.419 18954 5200 1 12 . 1 1 88 88 TRP CA C 88 52.411 52.411 55.821 -3.410 18954 5201 1 12 . 1 1 88 88 TRP CB C 88 32.110 32.110 31.470 0.640 18954 5202 1 12 . 1 1 88 88 TRP H H 88 7.374 7.374 7.426 -0.052 18954 5203 1 12 . 1 1 89 89 GLN N N 89 118.426 118.426 122.494 -4.068 18954 5204 1 12 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.990 0.537 18954 5205 1 12 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.783 -2.118 18954 5206 1 12 . 1 1 89 89 GLN CB C 89 29.926 29.926 30.569 -0.643 18954 5207 1 12 . 1 1 89 89 GLN H H 89 8.803 8.803 8.716 0.087 18954 5208 1 12 . 1 1 90 90 LEU N N 90 127.680 127.680 125.252 2.428 18954 5209 1 12 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.182 1.047 18954 5210 1 12 . 1 1 90 90 LEU CA C 90 50.846 50.846 55.263 -4.417 18954 5211 1 12 . 1 1 90 90 LEU CB C 90 39.965 39.965 42.314 -2.349 18954 5212 1 12 . 1 1 90 90 LEU H H 90 8.518 8.518 8.736 -0.218 18954 5213 1 12 . 1 1 91 91 SER N N 91 121.513 121.513 113.756 7.757 18954 5214 1 12 . 1 1 91 91 SER HA H 91 4.639 4.639 4.475 0.164 18954 5215 1 12 . 1 1 91 91 SER CA C 91 54.241 54.241 57.613 -3.372 18954 5216 1 12 . 1 1 91 91 SER CB C 91 63.274 63.274 64.941 -1.667 18954 5217 1 12 . 1 1 91 91 SER H H 91 8.979 8.979 8.382 0.597 18954 5218 1 12 . 1 1 92 92 VAL N N 92 120.290 120.290 119.530 0.760 18954 5219 1 12 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.018 0.098 18954 5220 1 12 . 1 1 92 92 VAL CA C 92 59.889 59.889 60.030 -0.141 18954 5221 1 12 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.142 -4.917 18954 5222 1 12 . 1 1 92 92 VAL H H 92 8.277 8.277 8.359 -0.082 18954 5223 1 12 . 1 1 93 93 ALA N N 93 130.076 130.076 128.515 1.561 18954 5224 1 12 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.266 -0.087 18954 5225 1 12 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.879 -2.686 18954 5226 1 12 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.013 -2.393 18954 5227 1 12 . 1 1 93 93 ALA H H 93 8.521 8.521 8.233 0.288 18954 5228 1 12 . 1 1 94 94 THR N N 94 113.705 113.705 108.840 4.865 18954 5229 1 12 . 1 1 94 94 THR HA H 94 4.190 4.190 4.479 -0.289 18954 5230 1 12 . 1 1 94 94 THR CA C 94 65.409 65.409 62.942 2.467 18954 5231 1 12 . 1 1 94 94 THR CB C 94 67.702 67.702 69.790 -2.088 18954 5232 1 12 . 1 1 94 94 THR H H 94 8.099 8.099 8.615 -0.516 18954 5233 1 13 . 1 1 3 3 ILE N N 3 123.622 123.622 120.376 3.246 18954 5234 1 13 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.316 -0.201 18954 5235 1 13 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.306 -3.003 18954 5236 1 13 . 1 1 3 3 ILE CB C 3 36.212 36.212 35.949 0.263 18954 5237 1 13 . 1 1 3 3 ILE H H 3 8.271 8.271 8.091 0.180 18954 5238 1 13 . 1 1 4 4 SER N N 4 120.605 120.605 116.903 3.702 18954 5239 1 13 . 1 1 4 4 SER HA H 4 4.368 4.368 4.707 -0.339 18954 5240 1 13 . 1 1 4 4 SER CA C 4 55.796 55.796 57.860 -2.064 18954 5241 1 13 . 1 1 4 4 SER CB C 4 60.945 60.945 65.166 -4.221 18954 5242 1 13 . 1 1 4 4 SER H H 4 8.425 8.425 7.946 0.479 18954 5243 1 13 . 1 1 5 5 GLY N N 5 111.455 111.455 108.369 3.086 18954 5244 1 13 . 1 1 5 5 GLY CA C 5 42.781 42.781 45.772 -2.991 18954 5245 1 13 . 1 1 5 5 GLY H H 5 8.406 8.406 8.248 0.158 18954 5246 1 13 . 1 1 6 6 ALA N N 6 123.660 123.660 123.324 0.336 18954 5247 1 13 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.612 -0.293 18954 5248 1 13 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.985 -2.091 18954 5249 1 13 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.134 -2.206 18954 5250 1 13 . 1 1 6 6 ALA H H 6 8.103 8.103 8.037 0.066 18954 5251 1 13 . 1 1 7 7 THR N N 7 113.014 113.014 112.352 0.662 18954 5252 1 13 . 1 1 7 7 THR HA H 7 4.309 4.309 4.586 -0.277 18954 5253 1 13 . 1 1 7 7 THR CA C 7 58.886 58.886 61.673 -2.787 18954 5254 1 13 . 1 1 7 7 THR CB C 7 67.461 67.461 70.524 -3.063 18954 5255 1 13 . 1 1 7 7 THR H H 7 8.108 8.108 7.723 0.385 18954 5256 1 13 . 1 1 8 8 SER N N 8 118.032 118.032 117.623 0.409 18954 5257 1 13 . 1 1 8 8 SER HA H 8 4.434 4.434 4.767 -0.333 18954 5258 1 13 . 1 1 8 8 SER CA C 8 55.537 55.537 57.474 -1.937 18954 5259 1 13 . 1 1 8 8 SER CB C 8 61.305 61.305 65.428 -4.123 18954 5260 1 13 . 1 1 8 8 SER H H 8 8.222 8.222 8.421 -0.199 18954 5261 1 13 . 1 1 9 9 VAL N N 9 121.129 121.129 120.000 1.129 18954 5262 1 13 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.515 -0.493 18954 5263 1 13 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.166 -2.152 18954 5264 1 13 . 1 1 9 9 VAL CB C 9 30.139 30.139 30.318 -0.179 18954 5265 1 13 . 1 1 9 9 VAL H H 9 8.098 8.098 8.290 -0.192 18954 5266 1 13 . 1 1 10 10 ASP N N 10 123.102 123.102 124.474 -1.372 18954 5267 1 13 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.737 -0.234 18954 5268 1 13 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.644 -3.009 18954 5269 1 13 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.831 -3.159 18954 5270 1 13 . 1 1 10 10 ASP H H 10 8.242 8.242 8.333 -0.091 18954 5271 1 13 . 1 1 11 11 GLN N N 11 121.449 121.449 122.441 -0.992 18954 5272 1 13 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.554 -0.389 18954 5273 1 13 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.669 -1.895 18954 5274 1 13 . 1 1 11 11 GLN CB C 11 26.558 26.558 30.567 -4.010 18954 5275 1 13 . 1 1 11 11 GLN H H 11 8.247 8.247 8.327 -0.080 18954 5276 1 13 . 1 1 12 12 ARG N N 12 121.029 121.029 119.400 1.629 18954 5277 1 13 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.661 -0.434 18954 5278 1 13 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.090 3.544 18954 5279 1 13 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.079 -2.795 18954 5280 1 13 . 1 1 12 12 ARG H H 12 8.215 8.215 8.659 -0.444 18954 5281 1 13 . 1 1 13 13 SER N N 13 121.168 121.168 116.548 4.620 18954 5282 1 13 . 1 1 13 13 SER HA H 13 4.327 4.327 4.586 -0.259 18954 5283 1 13 . 1 1 13 13 SER CA C 13 56.317 56.317 57.035 -0.718 18954 5284 1 13 . 1 1 13 13 SER CB C 13 61.153 61.153 64.829 -3.676 18954 5285 1 13 . 1 1 13 13 SER H H 13 8.483 8.483 7.846 0.637 18954 5286 1 13 . 1 1 14 14 LEU N N 14 115.731 115.731 121.742 -6.011 18954 5287 1 13 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.357 -0.110 18954 5288 1 13 . 1 1 14 14 LEU CA C 14 52.873 52.873 55.959 -3.086 18954 5289 1 13 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.643 -1.954 18954 5290 1 13 . 1 1 14 14 LEU H H 14 8.124 8.124 8.512 -0.388 18954 5291 1 13 . 1 1 15 15 ILE N N 15 119.991 119.991 113.672 6.319 18954 5292 1 13 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.637 -0.640 18954 5293 1 13 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.064 -1.224 18954 5294 1 13 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.167 -0.962 18954 5295 1 13 . 1 1 15 15 ILE H H 15 7.859 7.859 7.663 0.196 18954 5296 1 13 . 1 1 16 16 ASN N N 16 120.780 120.780 118.262 2.518 18954 5297 1 13 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.652 0.061 18954 5298 1 13 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.498 -2.046 18954 5299 1 13 . 1 1 16 16 ASN H H 16 8.014 8.014 8.518 -0.504 18954 5300 1 13 . 1 1 17 17 SER N N 17 115.640 115.640 112.095 3.545 18954 5301 1 13 . 1 1 17 17 SER HA H 17 4.300 4.300 4.512 -0.212 18954 5302 1 13 . 1 1 17 17 SER CA C 17 56.001 56.001 58.930 -2.929 18954 5303 1 13 . 1 1 17 17 SER CB C 17 60.894 60.894 63.771 -2.877 18954 5304 1 13 . 1 1 17 17 SER H H 17 8.121 8.121 8.107 0.014 18954 5305 1 13 . 1 1 18 18 ASN N N 18 121.876 121.876 120.670 1.206 18954 5306 1 13 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.944 -0.213 18954 5307 1 13 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.523 -3.230 18954 5308 1 13 . 1 1 18 18 ASN H H 18 8.376 8.376 8.009 0.367 18954 5309 1 13 . 1 1 19 19 VAL N N 19 120.480 120.480 124.518 -4.038 18954 5310 1 13 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.567 -0.538 18954 5311 1 13 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.663 -1.315 18954 5312 1 13 . 1 1 19 19 VAL CB C 19 29.903 29.903 34.014 -4.111 18954 5313 1 13 . 1 1 19 19 VAL H H 19 8.022 8.022 8.143 -0.121 18954 5314 1 13 . 1 1 20 20 GLY N N 20 112.265 112.265 115.944 -3.679 18954 5315 1 13 . 1 1 20 20 GLY CA C 20 42.698 42.698 46.179 -3.481 18954 5316 1 13 . 1 1 20 20 GLY H H 20 8.567 8.567 8.061 0.506 18954 5317 1 13 . 1 1 21 21 PHE N N 21 119.701 119.701 120.993 -1.292 18954 5318 1 13 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.526 -0.393 18954 5319 1 13 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.503 -3.145 18954 5320 1 13 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.209 -2.314 18954 5321 1 13 . 1 1 21 21 PHE H H 21 7.917 7.917 8.401 -0.484 18954 5322 1 13 . 1 1 22 22 VAL N N 22 120.733 120.733 123.361 -2.628 18954 5323 1 13 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.503 -0.242 18954 5324 1 13 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.469 -2.497 18954 5325 1 13 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.460 -2.382 18954 5326 1 13 . 1 1 22 22 VAL H H 22 9.221 9.221 8.824 0.397 18954 5327 1 13 . 1 1 23 23 THR N N 23 123.388 123.388 122.021 1.367 18954 5328 1 13 . 1 1 23 23 THR HA H 23 4.967 4.967 4.741 0.226 18954 5329 1 13 . 1 1 23 23 THR CA C 23 59.731 59.731 63.733 -4.002 18954 5330 1 13 . 1 1 23 23 THR CB C 23 66.715 66.715 69.369 -2.654 18954 5331 1 13 . 1 1 23 23 THR H H 23 8.403 8.403 8.598 -0.195 18954 5332 1 13 . 1 1 24 24 MET N N 24 125.957 125.957 122.575 3.382 18954 5333 1 13 . 1 1 24 24 MET HA H 24 4.702 4.702 4.537 0.165 18954 5334 1 13 . 1 1 24 24 MET CA C 24 51.056 51.056 54.569 -3.513 18954 5335 1 13 . 1 1 24 24 MET CB C 24 32.115 32.115 36.168 -4.053 18954 5336 1 13 . 1 1 24 24 MET H H 24 9.289 9.289 8.203 1.086 18954 5337 1 13 . 1 1 25 25 ILE N N 25 117.652 117.652 119.731 -2.079 18954 5338 1 13 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.379 0.020 18954 5339 1 13 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.004 -2.245 18954 5340 1 13 . 1 1 25 25 ILE CB C 25 37.870 37.870 38.871 -1.001 18954 5341 1 13 . 1 1 25 25 ILE H H 25 8.572 8.572 8.637 -0.065 18954 5342 1 13 . 1 1 26 26 LEU N N 26 130.281 130.281 128.076 2.205 18954 5343 1 13 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.911 0.303 18954 5344 1 13 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.870 -3.759 18954 5345 1 13 . 1 1 26 26 LEU CB C 26 41.363 41.363 45.426 -4.063 18954 5346 1 13 . 1 1 26 26 LEU H H 26 8.901 8.901 9.093 -0.192 18954 5347 1 13 . 1 1 27 27 GLN N N 27 125.400 125.400 121.270 4.130 18954 5348 1 13 . 1 1 27 27 GLN HA H 27 4.773 4.773 5.083 -0.310 18954 5349 1 13 . 1 1 27 27 GLN CB C 27 29.511 29.511 33.649 -4.138 18954 5350 1 13 . 1 1 27 27 GLN H H 27 9.330 9.330 8.641 0.689 18954 5351 1 13 . 1 1 28 28 CYS N N 28 124.065 124.065 118.576 5.489 18954 5352 1 13 . 1 1 28 28 CYS HA H 28 5.123 5.123 5.089 0.034 18954 5353 1 13 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.050 -3.015 18954 5354 1 13 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.899 -1.720 18954 5355 1 13 . 1 1 28 28 CYS H H 28 8.585 8.585 8.614 -0.029 18954 5356 1 13 . 1 1 29 29 SER N N 29 121.076 121.076 116.736 4.340 18954 5357 1 13 . 1 1 29 29 SER HA H 29 4.160 4.160 4.245 -0.085 18954 5358 1 13 . 1 1 29 29 SER CA C 29 57.073 57.073 60.801 -3.728 18954 5359 1 13 . 1 1 29 29 SER CB C 29 60.725 60.725 63.095 -2.370 18954 5360 1 13 . 1 1 29 29 SER H H 29 8.519 8.519 8.540 -0.021 18954 5361 1 13 . 1 1 30 30 ILE N N 30 117.987 117.987 114.058 3.929 18954 5362 1 13 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.398 -0.090 18954 5363 1 13 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.283 -1.702 18954 5364 1 13 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.650 -2.259 18954 5365 1 13 . 1 1 30 30 ILE H H 30 7.343 7.343 7.033 0.310 18954 5366 1 13 . 1 1 31 31 GLU N N 31 119.585 119.585 123.472 -3.887 18954 5367 1 13 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.738 -1.060 18954 5368 1 13 . 1 1 31 31 GLU CA C 31 54.224 54.224 55.099 -0.875 18954 5369 1 13 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.683 -3.322 18954 5370 1 13 . 1 1 31 31 GLU H H 31 7.901 7.901 8.410 -0.509 18954 5371 1 13 . 1 1 32 32 MET N N 32 126.504 126.504 127.187 -0.683 18954 5372 1 13 . 1 1 32 32 MET HA H 32 4.297 4.297 4.066 0.231 18954 5373 1 13 . 1 1 32 32 MET CA C 32 50.919 50.919 52.429 -1.510 18954 5374 1 13 . 1 1 32 32 MET CB C 32 32.696 32.696 32.557 0.139 18954 5375 1 13 . 1 1 32 32 MET H H 32 8.406 8.406 8.057 0.349 18954 5376 1 13 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.156 0.035 18954 5377 1 13 . 1 1 33 33 PRO CA C 33 61.767 61.767 63.888 -2.121 18954 5378 1 13 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.994 -1.968 18954 5379 1 13 . 1 1 34 34 ASN N N 34 107.313 107.313 114.733 -7.420 18954 5380 1 13 . 1 1 34 34 ASN HA H 34 4.816 4.816 4.992 -0.176 18954 5381 1 13 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.908 -1.936 18954 5382 1 13 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.625 -2.488 18954 5383 1 13 . 1 1 34 34 ASN H H 34 7.077 7.077 7.813 -0.736 18954 5384 1 13 . 1 1 35 35 ILE N N 35 122.015 122.015 122.376 -0.361 18954 5385 1 13 . 1 1 35 35 ILE HA H 35 3.943 3.943 4.168 -0.225 18954 5386 1 13 . 1 1 35 35 ILE CA C 35 61.775 61.775 62.946 -1.171 18954 5387 1 13 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.375 -1.985 18954 5388 1 13 . 1 1 35 35 ILE H H 35 9.109 9.109 9.025 0.084 18954 5389 1 13 . 1 1 36 36 SER N N 36 119.851 119.851 116.815 3.036 18954 5390 1 13 . 1 1 36 36 SER HA H 36 4.366 4.366 4.315 0.051 18954 5391 1 13 . 1 1 36 36 SER CA C 36 59.274 59.274 61.517 -2.243 18954 5392 1 13 . 1 1 36 36 SER CB C 36 59.818 59.818 62.449 -2.631 18954 5393 1 13 . 1 1 36 36 SER H H 36 8.936 8.936 8.522 0.414 18954 5394 1 13 . 1 1 37 37 TYR N N 37 122.338 122.338 122.916 -0.578 18954 5395 1 13 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.217 -0.014 18954 5396 1 13 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.921 -3.736 18954 5397 1 13 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.175 -1.782 18954 5398 1 13 . 1 1 37 37 TYR H H 37 7.808 7.808 8.077 -0.269 18954 5399 1 13 . 1 1 38 38 ALA N N 38 120.761 120.761 121.680 -0.919 18954 5400 1 13 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.981 -0.110 18954 5401 1 13 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.750 -2.953 18954 5402 1 13 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.777 -1.121 18954 5403 1 13 . 1 1 38 38 ALA H H 38 7.364 7.364 8.063 -0.699 18954 5404 1 13 . 1 1 39 39 TRP N N 39 115.813 115.813 119.369 -3.556 18954 5405 1 13 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.091 -0.015 18954 5406 1 13 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.697 -2.967 18954 5407 1 13 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.232 -1.520 18954 5408 1 13 . 1 1 39 39 TRP H H 39 7.134 7.134 7.706 -0.572 18954 5409 1 13 . 1 1 40 40 LYS N N 40 117.209 117.209 117.903 -0.694 18954 5410 1 13 . 1 1 40 40 LYS HA H 40 3.849 3.849 4.017 -0.168 18954 5411 1 13 . 1 1 40 40 LYS CA C 40 56.984 56.984 59.151 -2.167 18954 5412 1 13 . 1 1 40 40 LYS CB C 40 29.989 29.989 31.766 -1.777 18954 5413 1 13 . 1 1 40 40 LYS H H 40 8.091 8.091 8.515 -0.424 18954 5414 1 13 . 1 1 41 41 GLU N N 41 119.521 119.521 119.866 -0.345 18954 5415 1 13 . 1 1 41 41 GLU HA H 41 3.954 3.954 4.063 -0.109 18954 5416 1 13 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.034 -3.132 18954 5417 1 13 . 1 1 41 41 GLU CB C 41 25.922 25.922 29.084 -3.162 18954 5418 1 13 . 1 1 41 41 GLU H H 41 6.674 6.674 7.614 -0.940 18954 5419 1 13 . 1 1 42 42 LEU N N 42 117.269 117.269 121.027 -3.758 18954 5420 1 13 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.159 -0.272 18954 5421 1 13 . 1 1 42 42 LEU CA C 42 55.840 55.840 57.681 -1.841 18954 5422 1 13 . 1 1 42 42 LEU CB C 42 39.838 39.838 40.946 -1.108 18954 5423 1 13 . 1 1 42 42 LEU H H 42 7.866 7.866 8.274 -0.408 18954 5424 1 13 . 1 1 43 43 LYS N N 43 117.633 117.633 118.361 -0.728 18954 5425 1 13 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.344 -0.375 18954 5426 1 13 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.169 -3.162 18954 5427 1 13 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.184 -2.092 18954 5428 1 13 . 1 1 43 43 LYS H H 43 8.458 8.458 8.481 -0.023 18954 5429 1 13 . 1 1 44 44 GLU N N 44 120.906 120.906 119.068 1.838 18954 5430 1 13 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.065 -0.222 18954 5431 1 13 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.950 -1.995 18954 5432 1 13 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.750 -2.896 18954 5433 1 13 . 1 1 44 44 GLU H H 44 8.013 8.013 7.820 0.193 18954 5434 1 13 . 1 1 45 45 GLN N N 45 113.584 113.584 115.772 -2.188 18954 5435 1 13 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.351 -0.213 18954 5436 1 13 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.549 0.628 18954 5437 1 13 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.279 -1.743 18954 5438 1 13 . 1 1 45 45 GLN H H 45 7.665 7.665 7.563 0.102 18954 5439 1 13 . 1 1 46 46 LEU N N 46 114.594 114.594 119.625 -5.031 18954 5440 1 13 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.340 0.130 18954 5441 1 13 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.962 -3.033 18954 5442 1 13 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.356 -2.720 18954 5443 1 13 . 1 1 46 46 LEU H H 46 8.652 8.652 8.045 0.607 18954 5444 1 13 . 1 1 47 47 GLY N N 47 110.084 110.084 106.109 3.975 18954 5445 1 13 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.359 -2.520 18954 5446 1 13 . 1 1 47 47 GLY H H 47 7.642 7.642 7.301 0.341 18954 5447 1 13 . 1 1 48 48 GLU N N 48 118.535 118.535 122.280 -3.745 18954 5448 1 13 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.026 -0.314 18954 5449 1 13 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.253 -1.831 18954 5450 1 13 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.595 -2.130 18954 5451 1 13 . 1 1 48 48 GLU H H 48 8.348 8.348 8.809 -0.461 18954 5452 1 13 . 1 1 49 49 GLU N N 49 114.460 114.460 116.778 -2.318 18954 5453 1 13 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.632 -0.259 18954 5454 1 13 . 1 1 49 49 GLU CA C 49 54.413 54.413 55.186 -0.773 18954 5455 1 13 . 1 1 49 49 GLU CB C 49 25.961 25.961 29.398 -3.438 18954 5456 1 13 . 1 1 49 49 GLU H H 49 8.498 8.498 8.163 0.335 18954 5457 1 13 . 1 1 50 50 ILE N N 50 121.524 121.524 121.938 -0.414 18954 5458 1 13 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.773 0.329 18954 5459 1 13 . 1 1 50 50 ILE CA C 50 57.703 57.703 62.792 -5.089 18954 5460 1 13 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.218 -2.481 18954 5461 1 13 . 1 1 50 50 ILE H H 50 7.617 7.617 7.523 0.094 18954 5462 1 13 . 1 1 51 51 ASP N N 51 119.881 119.881 116.945 2.936 18954 5463 1 13 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.390 -0.090 18954 5464 1 13 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.521 -2.989 18954 5465 1 13 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.712 -2.514 18954 5466 1 13 . 1 1 51 51 ASP H H 51 7.926 7.926 8.587 -0.661 18954 5467 1 13 . 1 1 52 52 SER N N 52 113.164 113.164 114.608 -1.444 18954 5468 1 13 . 1 1 52 52 SER HA H 52 4.403 4.403 4.270 0.133 18954 5469 1 13 . 1 1 52 52 SER CA C 52 56.968 56.968 60.594 -3.626 18954 5470 1 13 . 1 1 52 52 SER CB C 52 61.183 61.183 63.326 -2.143 18954 5471 1 13 . 1 1 52 52 SER H H 52 7.888 7.888 7.809 0.079 18954 5472 1 13 . 1 1 53 53 LYS N N 53 120.411 120.411 118.964 1.447 18954 5473 1 13 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.302 0.152 18954 5474 1 13 . 1 1 53 53 LYS CA C 53 53.813 53.813 57.548 -3.735 18954 5475 1 13 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.076 -0.717 18954 5476 1 13 . 1 1 53 53 LYS H H 53 7.714 7.714 7.955 -0.241 18954 5477 1 13 . 1 1 54 54 VAL N N 54 116.701 116.701 119.222 -2.521 18954 5478 1 13 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.268 0.199 18954 5479 1 13 . 1 1 54 54 VAL CA C 54 59.565 59.565 62.635 -3.070 18954 5480 1 13 . 1 1 54 54 VAL CB C 54 30.833 30.833 31.886 -1.053 18954 5481 1 13 . 1 1 54 54 VAL H H 54 7.041 7.041 7.430 -0.389 18954 5482 1 13 . 1 1 55 55 LYS N N 55 125.891 125.891 125.857 0.034 18954 5483 1 13 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.719 0.029 18954 5484 1 13 . 1 1 55 55 LYS CA C 55 51.602 51.602 53.958 -2.356 18954 5485 1 13 . 1 1 55 55 LYS CB C 55 33.288 33.288 34.112 -0.824 18954 5486 1 13 . 1 1 55 55 LYS H H 55 9.138 9.138 8.655 0.483 18954 5487 1 13 . 1 1 56 56 GLY N N 56 109.312 109.312 109.789 -0.477 18954 5488 1 13 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.779 -1.063 18954 5489 1 13 . 1 1 56 56 GLY H H 56 8.489 8.489 8.589 -0.100 18954 5490 1 13 . 1 1 57 57 MET N N 57 118.391 118.391 122.495 -4.104 18954 5491 1 13 . 1 1 57 57 MET HA H 57 4.930 4.930 4.241 0.689 18954 5492 1 13 . 1 1 57 57 MET CA C 57 53.906 53.906 56.117 -2.211 18954 5493 1 13 . 1 1 57 57 MET CB C 57 30.841 30.841 32.438 -1.597 18954 5494 1 13 . 1 1 57 57 MET H H 57 8.039 8.039 8.303 -0.264 18954 5495 1 13 . 1 1 58 58 VAL N N 58 124.257 124.257 119.417 4.840 18954 5496 1 13 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.736 -0.287 18954 5497 1 13 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.026 -2.977 18954 5498 1 13 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.786 -0.930 18954 5499 1 13 . 1 1 58 58 VAL H H 58 8.780 8.780 8.799 -0.019 18954 5500 1 13 . 1 1 59 59 PHE N N 59 120.512 120.512 120.821 -0.309 18954 5501 1 13 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.798 0.177 18954 5502 1 13 . 1 1 59 59 PHE CA C 59 56.564 56.564 58.146 -1.582 18954 5503 1 13 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.676 -1.986 18954 5504 1 13 . 1 1 59 59 PHE H H 59 8.432 8.432 8.375 0.057 18954 5505 1 13 . 1 1 60 60 LEU N N 60 120.934 120.934 125.636 -4.702 18954 5506 1 13 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.368 0.008 18954 5507 1 13 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.452 -3.225 18954 5508 1 13 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.221 -2.696 18954 5509 1 13 . 1 1 60 60 LEU H H 60 8.291 8.291 8.540 -0.248 18954 5510 1 13 . 1 1 61 61 LYS N N 61 122.117 122.117 122.668 -0.551 18954 5511 1 13 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.157 -0.176 18954 5512 1 13 . 1 1 61 61 LYS CA C 61 55.543 55.543 58.014 -2.471 18954 5513 1 13 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.483 -2.841 18954 5514 1 13 . 1 1 61 61 LYS H H 61 8.371 8.371 8.567 -0.196 18954 5515 1 13 . 1 1 62 62 GLY N N 62 114.590 114.590 112.673 1.917 18954 5516 1 13 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.687 -1.715 18954 5517 1 13 . 1 1 62 62 GLY H H 62 8.870 8.870 8.318 0.552 18954 5518 1 13 . 1 1 63 63 LYS N N 63 111.406 111.406 118.981 -7.575 18954 5519 1 13 . 1 1 63 63 LYS H H 63 8.129 8.129 7.974 0.155 18954 5520 1 13 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.904 -0.438 18954 5521 1 13 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.055 -1.784 18954 5522 1 13 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.574 -4.118 18954 5523 1 13 . 1 1 65 65 GLY N N 65 105.164 105.164 105.474 -0.310 18954 5524 1 13 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.725 -3.134 18954 5525 1 13 . 1 1 65 65 GLY H H 65 7.375 7.375 7.649 -0.274 18954 5526 1 13 . 1 1 66 66 VAL N N 66 111.490 111.490 118.592 -7.102 18954 5527 1 13 . 1 1 66 66 VAL HA H 66 5.391 5.391 5.188 0.203 18954 5528 1 13 . 1 1 66 66 VAL CA C 66 56.267 56.267 60.152 -3.885 18954 5529 1 13 . 1 1 66 66 VAL CB C 66 34.051 34.051 37.002 -2.951 18954 5530 1 13 . 1 1 66 66 VAL H H 66 9.127 9.127 8.566 0.561 18954 5531 1 13 . 1 1 67 67 CYS N N 67 116.847 116.847 118.548 -1.701 18954 5532 1 13 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.381 0.113 18954 5533 1 13 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.709 -2.839 18954 5534 1 13 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.498 -3.013 18954 5535 1 13 . 1 1 67 67 CYS H H 67 8.914 8.914 9.056 -0.142 18954 5536 1 13 . 1 1 68 68 PHE N N 68 116.013 116.013 115.607 0.406 18954 5537 1 13 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.826 -0.186 18954 5538 1 13 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.465 -2.829 18954 5539 1 13 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.348 -3.384 18954 5540 1 13 . 1 1 68 68 PHE H H 68 8.118 8.118 7.868 0.250 18954 5541 1 13 . 1 1 69 69 ASP N N 69 119.562 119.562 120.408 -0.846 18954 5542 1 13 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.449 0.287 18954 5543 1 13 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.270 -4.107 18954 5544 1 13 . 1 1 69 69 ASP CB C 69 40.589 40.589 44.815 -4.226 18954 5545 1 13 . 1 1 69 69 ASP H H 69 8.999 8.999 8.258 0.741 18954 5546 1 13 . 1 1 70 70 VAL N N 70 114.283 114.283 115.978 -1.695 18954 5547 1 13 . 1 1 70 70 VAL HA H 70 5.334 5.334 5.055 0.279 18954 5548 1 13 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.842 -2.878 18954 5549 1 13 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.705 -3.169 18954 5550 1 13 . 1 1 70 70 VAL H H 70 8.913 8.913 8.437 0.476 18954 5551 1 13 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.602 0.625 18954 5552 1 13 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.099 -2.261 18954 5553 1 13 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.678 -2.205 18954 5554 1 13 . 1 1 72 72 THR N N 72 121.039 121.039 121.524 -0.485 18954 5555 1 13 . 1 1 72 72 THR HA H 72 3.597 3.597 3.869 -0.272 18954 5556 1 13 . 1 1 72 72 THR CA C 72 63.671 63.671 66.504 -2.833 18954 5557 1 13 . 1 1 72 72 THR CB C 72 65.826 65.826 68.311 -2.485 18954 5558 1 13 . 1 1 72 72 THR H H 72 8.235 8.235 8.665 -0.430 18954 5559 1 13 . 1 1 73 73 ALA N N 73 120.196 120.196 121.167 -0.971 18954 5560 1 13 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.160 -0.017 18954 5561 1 13 . 1 1 73 73 ALA CA C 73 51.471 51.471 53.730 -2.259 18954 5562 1 13 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.877 -1.782 18954 5563 1 13 . 1 1 73 73 ALA H H 73 8.466 8.466 8.451 0.015 18954 5564 1 13 . 1 1 74 74 SER N N 74 112.214 112.214 111.383 0.831 18954 5565 1 13 . 1 1 74 74 SER HA H 74 4.552 4.552 4.624 -0.072 18954 5566 1 13 . 1 1 74 74 SER CA C 74 57.492 57.492 58.108 -0.616 18954 5567 1 13 . 1 1 74 74 SER CB C 74 62.101 62.101 64.305 -2.204 18954 5568 1 13 . 1 1 74 74 SER H H 74 8.019 8.019 7.517 0.502 18954 5569 1 13 . 1 1 75 75 VAL N N 75 121.652 121.652 123.413 -1.761 18954 5570 1 13 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.616 -0.361 18954 5571 1 13 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.542 -1.535 18954 5572 1 13 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.612 -2.262 18954 5573 1 13 . 1 1 75 75 VAL H H 75 7.222 7.222 7.599 -0.377 18954 5574 1 13 . 1 1 76 76 THR N N 76 113.812 113.812 114.358 -0.546 18954 5575 1 13 . 1 1 76 76 THR HA H 76 3.963 3.963 3.844 0.119 18954 5576 1 13 . 1 1 76 76 THR CA C 76 63.804 63.804 66.686 -2.882 18954 5577 1 13 . 1 1 76 76 THR CB C 76 65.567 65.567 68.203 -2.636 18954 5578 1 13 . 1 1 76 76 THR H H 76 8.107 8.107 8.288 -0.181 18954 5579 1 13 . 1 1 77 77 GLU N N 77 121.634 121.634 121.374 0.260 18954 5580 1 13 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.101 -0.068 18954 5581 1 13 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.191 -2.835 18954 5582 1 13 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.435 -2.403 18954 5583 1 13 . 1 1 77 77 GLU H H 77 7.737 7.737 7.749 -0.012 18954 5584 1 13 . 1 1 78 78 ILE N N 78 119.383 119.383 120.557 -1.174 18954 5585 1 13 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.690 -0.079 18954 5586 1 13 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.039 -1.950 18954 5587 1 13 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.877 -2.261 18954 5588 1 13 . 1 1 78 78 ILE H H 78 7.694 7.694 7.474 0.220 18954 5589 1 13 . 1 1 79 79 GLN N N 79 116.015 116.015 117.167 -1.152 18954 5590 1 13 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.053 -0.125 18954 5591 1 13 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.570 -1.902 18954 5592 1 13 . 1 1 79 79 GLN CB C 79 26.407 26.407 27.760 -1.353 18954 5593 1 13 . 1 1 79 79 GLN H H 79 8.319 8.319 8.045 0.274 18954 5594 1 13 . 1 1 80 80 GLU N N 80 116.824 116.824 118.881 -2.057 18954 5595 1 13 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.156 -0.089 18954 5596 1 13 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.660 -3.069 18954 5597 1 13 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.577 -2.148 18954 5598 1 13 . 1 1 80 80 GLU H H 80 7.884 7.884 8.008 -0.124 18954 5599 1 13 . 1 1 81 81 LYS N N 81 118.113 118.113 116.359 1.754 18954 5600 1 13 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.565 -0.371 18954 5601 1 13 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.725 -0.882 18954 5602 1 13 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.986 -1.210 18954 5603 1 13 . 1 1 81 81 LYS H H 81 7.396 7.396 7.816 -0.420 18954 5604 1 13 . 1 1 82 82 TRP N N 82 119.572 119.572 121.065 -1.493 18954 5605 1 13 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.609 -0.496 18954 5606 1 13 . 1 1 82 82 TRP CA C 82 55.919 55.919 57.513 -1.594 18954 5607 1 13 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.385 -2.932 18954 5608 1 13 . 1 1 82 82 TRP H H 82 7.966 7.966 7.860 0.106 18954 5609 1 13 . 1 1 83 83 HIS N N 83 126.139 126.139 118.059 8.080 18954 5610 1 13 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.690 -0.026 18954 5611 1 13 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.718 -3.062 18954 5612 1 13 . 1 1 83 83 HIS CB C 83 28.017 28.017 33.651 -5.634 18954 5613 1 13 . 1 1 83 83 HIS H H 83 8.566 8.566 6.886 1.680 18954 5614 1 13 . 1 1 84 84 ASP N N 84 125.751 125.751 122.475 3.276 18954 5615 1 13 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.615 0.384 18954 5616 1 13 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.281 -1.661 18954 5617 1 13 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.603 -1.862 18954 5618 1 13 . 1 1 84 84 ASP H H 84 8.913 8.913 8.551 0.362 18954 5619 1 13 . 1 1 85 85 SER N N 85 116.332 116.332 116.288 0.044 18954 5620 1 13 . 1 1 85 85 SER HA H 85 4.924 4.924 4.739 0.185 18954 5621 1 13 . 1 1 85 85 SER CA C 85 53.657 53.657 56.707 -3.050 18954 5622 1 13 . 1 1 85 85 SER CB C 85 64.982 64.982 65.887 -0.905 18954 5623 1 13 . 1 1 85 85 SER H H 85 9.621 9.621 8.414 1.207 18954 5624 1 13 . 1 1 86 86 ARG N N 86 118.680 118.680 122.066 -3.386 18954 5625 1 13 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.231 -0.173 18954 5626 1 13 . 1 1 86 86 ARG CA C 86 55.847 55.847 59.112 -3.265 18954 5627 1 13 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.343 -3.211 18954 5628 1 13 . 1 1 86 86 ARG H H 86 8.695 8.695 8.789 -0.094 18954 5629 1 13 . 1 1 87 87 ARG N N 87 117.323 117.323 117.825 -0.502 18954 5630 1 13 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.493 -0.217 18954 5631 1 13 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.224 -1.235 18954 5632 1 13 . 1 1 87 87 ARG CB C 87 29.582 29.582 31.891 -2.309 18954 5633 1 13 . 1 1 87 87 ARG H H 87 7.710 7.710 8.295 -0.585 18954 5634 1 13 . 1 1 88 88 TRP N N 88 115.976 115.976 118.500 -2.524 18954 5635 1 13 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.426 0.451 18954 5636 1 13 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.516 -4.105 18954 5637 1 13 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.929 -0.820 18954 5638 1 13 . 1 1 88 88 TRP H H 88 7.374 7.374 7.537 -0.163 18954 5639 1 13 . 1 1 89 89 GLN N N 89 118.426 118.426 119.183 -0.757 18954 5640 1 13 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.169 0.358 18954 5641 1 13 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.844 -2.179 18954 5642 1 13 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.580 -2.654 18954 5643 1 13 . 1 1 89 89 GLN H H 89 8.803 8.803 8.890 -0.087 18954 5644 1 13 . 1 1 90 90 LEU N N 90 127.680 127.680 122.589 5.091 18954 5645 1 13 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.508 0.721 18954 5646 1 13 . 1 1 90 90 LEU CA C 90 50.846 50.846 54.489 -3.643 18954 5647 1 13 . 1 1 90 90 LEU CB C 90 39.965 39.965 43.148 -3.183 18954 5648 1 13 . 1 1 90 90 LEU H H 90 8.518 8.518 8.769 -0.251 18954 5649 1 13 . 1 1 91 91 SER N N 91 121.513 121.513 120.973 0.540 18954 5650 1 13 . 1 1 91 91 SER HA H 91 4.639 4.639 4.794 -0.155 18954 5651 1 13 . 1 1 91 91 SER CA C 91 54.241 54.241 56.904 -2.663 18954 5652 1 13 . 1 1 91 91 SER CB C 91 63.274 63.274 65.847 -2.573 18954 5653 1 13 . 1 1 91 91 SER H H 91 8.979 8.979 8.755 0.224 18954 5654 1 13 . 1 1 92 92 VAL N N 92 120.290 120.290 119.951 0.339 18954 5655 1 13 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.086 0.030 18954 5656 1 13 . 1 1 92 92 VAL CA C 92 59.889 59.889 61.071 -1.182 18954 5657 1 13 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.416 -5.191 18954 5658 1 13 . 1 1 92 92 VAL H H 92 8.277 8.277 8.234 0.043 18954 5659 1 13 . 1 1 93 93 ALA N N 93 130.076 130.076 127.960 2.116 18954 5660 1 13 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.330 -0.151 18954 5661 1 13 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.979 -2.786 18954 5662 1 13 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.346 -2.726 18954 5663 1 13 . 1 1 93 93 ALA H H 93 8.521 8.521 8.043 0.478 18954 5664 1 13 . 1 1 94 94 THR N N 94 113.705 113.705 116.422 -2.717 18954 5665 1 13 . 1 1 94 94 THR HA H 94 4.190 4.190 4.161 0.029 18954 5666 1 13 . 1 1 94 94 THR CA C 94 65.409 65.409 64.123 1.286 18954 5667 1 13 . 1 1 94 94 THR CB C 94 67.702 67.702 69.310 -1.608 18954 5668 1 13 . 1 1 94 94 THR H H 94 8.099 8.099 8.309 -0.210 18954 5669 1 14 . 1 1 3 3 ILE N N 3 123.622 123.622 122.705 0.917 18954 5670 1 14 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.356 -0.241 18954 5671 1 14 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.234 -2.932 18954 5672 1 14 . 1 1 3 3 ILE CB C 3 36.212 36.212 39.551 -3.339 18954 5673 1 14 . 1 1 3 3 ILE H H 3 8.271 8.271 7.847 0.424 18954 5674 1 14 . 1 1 4 4 SER N N 4 120.605 120.605 120.548 0.057 18954 5675 1 14 . 1 1 4 4 SER HA H 4 4.368 4.368 4.896 -0.528 18954 5676 1 14 . 1 1 4 4 SER CA C 4 55.796 55.796 58.217 -2.421 18954 5677 1 14 . 1 1 4 4 SER CB C 4 60.945 60.945 64.548 -3.603 18954 5678 1 14 . 1 1 4 4 SER H H 4 8.425 8.425 8.953 -0.528 18954 5679 1 14 . 1 1 5 5 GLY N N 5 111.455 111.455 110.195 1.260 18954 5680 1 14 . 1 1 5 5 GLY CA C 5 42.781 42.781 45.523 -2.742 18954 5681 1 14 . 1 1 5 5 GLY H H 5 8.406 8.406 7.726 0.680 18954 5682 1 14 . 1 1 6 6 ALA N N 6 123.660 123.660 124.378 -0.718 18954 5683 1 14 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.470 -0.151 18954 5684 1 14 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.469 -2.575 18954 5685 1 14 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.974 -3.046 18954 5686 1 14 . 1 1 6 6 ALA H H 6 8.103 8.103 8.154 -0.051 18954 5687 1 14 . 1 1 7 7 THR N N 7 113.014 113.014 115.315 -2.301 18954 5688 1 14 . 1 1 7 7 THR HA H 7 4.309 4.309 4.677 -0.368 18954 5689 1 14 . 1 1 7 7 THR CA C 7 58.886 58.886 62.211 -3.325 18954 5690 1 14 . 1 1 7 7 THR CB C 7 67.461 67.461 68.402 -0.941 18954 5691 1 14 . 1 1 7 7 THR H H 7 8.108 8.108 7.949 0.159 18954 5692 1 14 . 1 1 8 8 SER N N 8 118.032 118.032 121.220 -3.188 18954 5693 1 14 . 1 1 8 8 SER HA H 8 4.434 4.434 4.764 -0.330 18954 5694 1 14 . 1 1 8 8 SER CA C 8 55.537 55.537 57.508 -1.971 18954 5695 1 14 . 1 1 8 8 SER CB C 8 61.305 61.305 65.239 -3.934 18954 5696 1 14 . 1 1 8 8 SER H H 8 8.222 8.222 8.371 -0.149 18954 5697 1 14 . 1 1 9 9 VAL N N 9 121.129 121.129 116.460 4.669 18954 5698 1 14 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.371 -0.349 18954 5699 1 14 . 1 1 9 9 VAL CA C 9 60.014 60.014 61.494 -1.480 18954 5700 1 14 . 1 1 9 9 VAL CB C 9 30.139 30.139 32.495 -2.356 18954 5701 1 14 . 1 1 9 9 VAL H H 9 8.098 8.098 8.113 -0.015 18954 5702 1 14 . 1 1 10 10 ASP N N 10 123.102 123.102 121.164 1.938 18954 5703 1 14 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.737 -0.234 18954 5704 1 14 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.258 -2.623 18954 5705 1 14 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.655 -2.984 18954 5706 1 14 . 1 1 10 10 ASP H H 10 8.242 8.242 7.761 0.481 18954 5707 1 14 . 1 1 11 11 GLN N N 11 121.449 121.449 122.691 -1.242 18954 5708 1 14 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.531 -0.366 18954 5709 1 14 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.657 -1.884 18954 5710 1 14 . 1 1 11 11 GLN CB C 11 26.558 26.558 29.639 -3.081 18954 5711 1 14 . 1 1 11 11 GLN H H 11 8.247 8.247 8.418 -0.171 18954 5712 1 14 . 1 1 12 12 ARG N N 12 121.029 121.029 124.657 -3.628 18954 5713 1 14 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.401 -0.174 18954 5714 1 14 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.648 2.986 18954 5715 1 14 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.026 -2.742 18954 5716 1 14 . 1 1 12 12 ARG H H 12 8.215 8.215 8.935 -0.720 18954 5717 1 14 . 1 1 13 13 SER N N 13 121.168 121.168 113.206 7.962 18954 5718 1 14 . 1 1 13 13 SER HA H 13 4.327 4.327 4.601 -0.274 18954 5719 1 14 . 1 1 13 13 SER CA C 13 56.317 56.317 57.512 -1.195 18954 5720 1 14 . 1 1 13 13 SER CB C 13 61.153 61.153 65.697 -4.544 18954 5721 1 14 . 1 1 13 13 SER H H 13 8.483 8.483 7.606 0.877 18954 5722 1 14 . 1 1 14 14 LEU N N 14 115.731 115.731 121.641 -5.910 18954 5723 1 14 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.361 -0.114 18954 5724 1 14 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.037 -3.164 18954 5725 1 14 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.859 -2.170 18954 5726 1 14 . 1 1 14 14 LEU H H 14 8.124 8.124 8.393 -0.269 18954 5727 1 14 . 1 1 15 15 ILE N N 15 119.991 119.991 115.878 4.113 18954 5728 1 14 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.275 -0.278 18954 5729 1 14 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.289 -1.449 18954 5730 1 14 . 1 1 15 15 ILE CB C 15 36.205 36.205 36.639 -0.433 18954 5731 1 14 . 1 1 15 15 ILE H H 15 7.859 7.859 7.609 0.250 18954 5732 1 14 . 1 1 16 16 ASN N N 16 120.780 120.780 121.170 -0.390 18954 5733 1 14 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.810 -0.097 18954 5734 1 14 . 1 1 16 16 ASN CB C 16 36.453 36.453 40.189 -3.736 18954 5735 1 14 . 1 1 16 16 ASN H H 16 8.014 8.014 8.344 -0.330 18954 5736 1 14 . 1 1 17 17 SER N N 17 115.640 115.640 111.040 4.600 18954 5737 1 14 . 1 1 17 17 SER HA H 17 4.300 4.300 4.521 -0.221 18954 5738 1 14 . 1 1 17 17 SER CA C 17 56.001 56.001 58.230 -2.229 18954 5739 1 14 . 1 1 17 17 SER CB C 17 60.894 60.894 64.210 -3.316 18954 5740 1 14 . 1 1 17 17 SER H H 17 8.121 8.121 8.214 -0.093 18954 5741 1 14 . 1 1 18 18 ASN N N 18 121.876 121.876 120.713 1.163 18954 5742 1 14 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.636 0.095 18954 5743 1 14 . 1 1 18 18 ASN CB C 18 36.293 36.293 38.911 -2.618 18954 5744 1 14 . 1 1 18 18 ASN H H 18 8.376 8.376 8.170 0.206 18954 5745 1 14 . 1 1 19 19 VAL N N 19 120.480 120.480 118.126 2.354 18954 5746 1 14 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.204 -0.175 18954 5747 1 14 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.674 -1.326 18954 5748 1 14 . 1 1 19 19 VAL CB C 19 29.903 29.903 33.122 -3.219 18954 5749 1 14 . 1 1 19 19 VAL H H 19 8.022 8.022 7.713 0.309 18954 5750 1 14 . 1 1 20 20 GLY N N 20 112.265 112.265 116.320 -4.055 18954 5751 1 14 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.597 -2.899 18954 5752 1 14 . 1 1 20 20 GLY H H 20 8.567 8.567 8.367 0.200 18954 5753 1 14 . 1 1 21 21 PHE N N 21 119.701 119.701 119.441 0.260 18954 5754 1 14 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.405 -0.272 18954 5755 1 14 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.364 -3.006 18954 5756 1 14 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.482 -2.588 18954 5757 1 14 . 1 1 21 21 PHE H H 21 7.917 7.917 8.152 -0.235 18954 5758 1 14 . 1 1 22 22 VAL N N 22 120.733 120.733 118.463 2.270 18954 5759 1 14 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.468 -0.207 18954 5760 1 14 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.465 -2.493 18954 5761 1 14 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.371 -2.293 18954 5762 1 14 . 1 1 22 22 VAL H H 22 9.221 9.221 9.083 0.138 18954 5763 1 14 . 1 1 23 23 THR N N 23 123.388 123.388 122.197 1.191 18954 5764 1 14 . 1 1 23 23 THR HA H 23 4.967 4.967 4.600 0.367 18954 5765 1 14 . 1 1 23 23 THR CA C 23 59.731 59.731 63.849 -4.117 18954 5766 1 14 . 1 1 23 23 THR CB C 23 66.715 66.715 69.351 -2.636 18954 5767 1 14 . 1 1 23 23 THR H H 23 8.403 8.403 8.615 -0.212 18954 5768 1 14 . 1 1 24 24 MET N N 24 125.957 125.957 122.419 3.538 18954 5769 1 14 . 1 1 24 24 MET HA H 24 4.702 4.702 4.663 0.039 18954 5770 1 14 . 1 1 24 24 MET CA C 24 51.056 51.056 53.905 -2.849 18954 5771 1 14 . 1 1 24 24 MET CB C 24 32.115 32.115 36.059 -3.944 18954 5772 1 14 . 1 1 24 24 MET H H 24 9.289 9.289 8.641 0.648 18954 5773 1 14 . 1 1 25 25 ILE N N 25 117.652 117.652 119.804 -2.152 18954 5774 1 14 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.266 0.133 18954 5775 1 14 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.539 -2.780 18954 5776 1 14 . 1 1 25 25 ILE CB C 25 37.870 37.870 37.681 0.189 18954 5777 1 14 . 1 1 25 25 ILE H H 25 8.572 8.572 8.274 0.298 18954 5778 1 14 . 1 1 26 26 LEU N N 26 130.281 130.281 128.718 1.563 18954 5779 1 14 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.942 0.272 18954 5780 1 14 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.665 -3.554 18954 5781 1 14 . 1 1 26 26 LEU CB C 26 41.363 41.363 43.421 -2.058 18954 5782 1 14 . 1 1 26 26 LEU H H 26 8.901 8.901 8.831 0.070 18954 5783 1 14 . 1 1 27 27 GLN N N 27 125.400 125.400 124.166 1.234 18954 5784 1 14 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.958 -0.185 18954 5785 1 14 . 1 1 27 27 GLN CB C 27 29.511 29.511 32.182 -2.671 18954 5786 1 14 . 1 1 27 27 GLN H H 27 9.330 9.330 8.188 1.142 18954 5787 1 14 . 1 1 28 28 CYS N N 28 124.065 124.065 119.619 4.446 18954 5788 1 14 . 1 1 28 28 CYS HA H 28 5.123 5.123 5.054 0.069 18954 5789 1 14 . 1 1 28 28 CYS CA C 28 53.035 53.035 54.999 -1.964 18954 5790 1 14 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.820 -0.641 18954 5791 1 14 . 1 1 28 28 CYS H H 28 8.585 8.585 8.705 -0.120 18954 5792 1 14 . 1 1 29 29 SER N N 29 121.076 121.076 116.849 4.227 18954 5793 1 14 . 1 1 29 29 SER HA H 29 4.160 4.160 4.557 -0.397 18954 5794 1 14 . 1 1 29 29 SER CA C 29 57.073 57.073 57.809 -0.736 18954 5795 1 14 . 1 1 29 29 SER CB C 29 60.725 60.725 62.827 -2.102 18954 5796 1 14 . 1 1 29 29 SER H H 29 8.519 8.519 8.068 0.451 18954 5797 1 14 . 1 1 30 30 ILE N N 30 117.987 117.987 115.727 2.260 18954 5798 1 14 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.364 -0.056 18954 5799 1 14 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.877 -2.296 18954 5800 1 14 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.654 -2.263 18954 5801 1 14 . 1 1 30 30 ILE H H 30 7.343 7.343 6.897 0.446 18954 5802 1 14 . 1 1 31 31 GLU N N 31 119.585 119.585 125.688 -6.103 18954 5803 1 14 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.263 -0.585 18954 5804 1 14 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.927 -2.703 18954 5805 1 14 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.014 -2.653 18954 5806 1 14 . 1 1 31 31 GLU H H 31 7.901 7.901 8.464 -0.563 18954 5807 1 14 . 1 1 32 32 MET N N 32 126.504 126.504 127.446 -0.942 18954 5808 1 14 . 1 1 32 32 MET HA H 32 4.297 4.297 4.794 -0.497 18954 5809 1 14 . 1 1 32 32 MET CA C 32 50.919 50.919 53.272 -2.353 18954 5810 1 14 . 1 1 32 32 MET CB C 32 32.696 32.696 32.240 0.456 18954 5811 1 14 . 1 1 32 32 MET H H 32 8.406 8.406 8.840 -0.434 18954 5812 1 14 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.325 -0.134 18954 5813 1 14 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.150 -2.383 18954 5814 1 14 . 1 1 33 33 PRO CB C 33 30.026 30.026 32.125 -2.099 18954 5815 1 14 . 1 1 34 34 ASN N N 34 107.313 107.313 115.008 -7.695 18954 5816 1 14 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.045 -0.229 18954 5817 1 14 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.724 -1.752 18954 5818 1 14 . 1 1 34 34 ASN CB C 34 38.137 38.137 41.085 -2.948 18954 5819 1 14 . 1 1 34 34 ASN H H 34 7.077 7.077 8.151 -1.074 18954 5820 1 14 . 1 1 35 35 ILE N N 35 122.015 122.015 124.208 -2.193 18954 5821 1 14 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.869 0.074 18954 5822 1 14 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.646 -1.871 18954 5823 1 14 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.427 -2.037 18954 5824 1 14 . 1 1 35 35 ILE H H 35 9.109 9.109 9.271 -0.162 18954 5825 1 14 . 1 1 36 36 SER N N 36 119.851 119.851 116.277 3.574 18954 5826 1 14 . 1 1 36 36 SER HA H 36 4.366 4.366 4.426 -0.060 18954 5827 1 14 . 1 1 36 36 SER CA C 36 59.274 59.274 61.369 -2.095 18954 5828 1 14 . 1 1 36 36 SER CB C 36 59.818 59.818 62.464 -2.646 18954 5829 1 14 . 1 1 36 36 SER H H 36 8.936 8.936 8.375 0.561 18954 5830 1 14 . 1 1 37 37 TYR N N 37 122.338 122.338 120.770 1.568 18954 5831 1 14 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.226 -0.023 18954 5832 1 14 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.347 -3.162 18954 5833 1 14 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.306 -1.913 18954 5834 1 14 . 1 1 37 37 TYR H H 37 7.808 7.808 8.325 -0.517 18954 5835 1 14 . 1 1 38 38 ALA N N 38 120.761 120.761 121.274 -0.513 18954 5836 1 14 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.899 -0.028 18954 5837 1 14 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.319 -2.522 18954 5838 1 14 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.812 -1.157 18954 5839 1 14 . 1 1 38 38 ALA H H 38 7.364 7.364 7.813 -0.449 18954 5840 1 14 . 1 1 39 39 TRP N N 39 115.813 115.813 119.466 -3.653 18954 5841 1 14 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.049 0.027 18954 5842 1 14 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.907 -3.177 18954 5843 1 14 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.258 -1.546 18954 5844 1 14 . 1 1 39 39 TRP H H 39 7.134 7.134 7.745 -0.611 18954 5845 1 14 . 1 1 40 40 LYS N N 40 117.209 117.209 118.052 -0.843 18954 5846 1 14 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.911 -0.062 18954 5847 1 14 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.007 -3.023 18954 5848 1 14 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.219 -2.230 18954 5849 1 14 . 1 1 40 40 LYS H H 40 8.091 8.091 8.312 -0.221 18954 5850 1 14 . 1 1 41 41 GLU N N 41 119.521 119.521 120.082 -0.561 18954 5851 1 14 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.976 -0.022 18954 5852 1 14 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.242 -3.340 18954 5853 1 14 . 1 1 41 41 GLU CB C 41 25.922 25.922 29.039 -3.117 18954 5854 1 14 . 1 1 41 41 GLU H H 41 6.674 6.674 7.508 -0.834 18954 5855 1 14 . 1 1 42 42 LEU N N 42 117.269 117.269 119.804 -2.535 18954 5856 1 14 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.000 -0.113 18954 5857 1 14 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.492 -2.652 18954 5858 1 14 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.708 -1.870 18954 5859 1 14 . 1 1 42 42 LEU H H 42 7.866 7.866 8.376 -0.510 18954 5860 1 14 . 1 1 43 43 LYS N N 43 117.633 117.633 119.553 -1.920 18954 5861 1 14 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.168 -0.199 18954 5862 1 14 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.671 -3.664 18954 5863 1 14 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.223 -2.131 18954 5864 1 14 . 1 1 43 43 LYS H H 43 8.458 8.458 8.501 -0.043 18954 5865 1 14 . 1 1 44 44 GLU N N 44 120.906 120.906 118.165 2.741 18954 5866 1 14 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.067 -0.224 18954 5867 1 14 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.816 -1.861 18954 5868 1 14 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.438 -2.583 18954 5869 1 14 . 1 1 44 44 GLU H H 44 8.013 8.013 7.697 0.316 18954 5870 1 14 . 1 1 45 45 GLN N N 45 113.584 113.584 117.000 -3.416 18954 5871 1 14 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.135 0.003 18954 5872 1 14 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.726 0.451 18954 5873 1 14 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.668 -2.132 18954 5874 1 14 . 1 1 45 45 GLN H H 45 7.665 7.665 7.610 0.055 18954 5875 1 14 . 1 1 46 46 LEU N N 46 114.594 114.594 116.881 -2.287 18954 5876 1 14 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.382 0.088 18954 5877 1 14 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.290 -3.361 18954 5878 1 14 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.660 -3.025 18954 5879 1 14 . 1 1 46 46 LEU H H 46 8.652 8.652 8.225 0.427 18954 5880 1 14 . 1 1 47 47 GLY N N 47 110.084 110.084 106.137 3.947 18954 5881 1 14 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.555 -2.716 18954 5882 1 14 . 1 1 47 47 GLY H H 47 7.642 7.642 7.540 0.102 18954 5883 1 14 . 1 1 48 48 GLU N N 48 118.535 118.535 122.962 -4.427 18954 5884 1 14 . 1 1 48 48 GLU HA H 48 3.712 3.712 3.902 -0.190 18954 5885 1 14 . 1 1 48 48 GLU CA C 48 56.422 56.422 59.063 -2.641 18954 5886 1 14 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.669 -2.204 18954 5887 1 14 . 1 1 48 48 GLU H H 48 8.348 8.348 8.807 -0.459 18954 5888 1 14 . 1 1 49 49 GLU N N 49 114.460 114.460 118.256 -3.796 18954 5889 1 14 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.187 0.186 18954 5890 1 14 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.966 -2.553 18954 5891 1 14 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.646 -2.685 18954 5892 1 14 . 1 1 49 49 GLU H H 49 8.498 8.498 8.344 0.154 18954 5893 1 14 . 1 1 50 50 ILE N N 50 121.524 121.524 122.075 -0.551 18954 5894 1 14 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.737 0.365 18954 5895 1 14 . 1 1 50 50 ILE CA C 50 57.703 57.703 63.484 -5.781 18954 5896 1 14 . 1 1 50 50 ILE CB C 50 35.737 35.737 37.984 -2.247 18954 5897 1 14 . 1 1 50 50 ILE H H 50 7.617 7.617 7.542 0.075 18954 5898 1 14 . 1 1 51 51 ASP N N 51 119.881 119.881 119.819 0.062 18954 5899 1 14 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.270 0.030 18954 5900 1 14 . 1 1 51 51 ASP CA C 51 53.532 53.532 57.268 -3.736 18954 5901 1 14 . 1 1 51 51 ASP CB C 51 37.198 37.198 38.740 -1.542 18954 5902 1 14 . 1 1 51 51 ASP H H 51 7.926 7.926 8.061 -0.135 18954 5903 1 14 . 1 1 52 52 SER N N 52 113.164 113.164 114.876 -1.712 18954 5904 1 14 . 1 1 52 52 SER HA H 52 4.403 4.403 4.200 0.203 18954 5905 1 14 . 1 1 52 52 SER CA C 52 56.968 56.968 60.256 -3.288 18954 5906 1 14 . 1 1 52 52 SER CB C 52 61.183 61.183 63.228 -2.045 18954 5907 1 14 . 1 1 52 52 SER H H 52 7.888 7.888 7.904 -0.016 18954 5908 1 14 . 1 1 53 53 LYS N N 53 120.411 120.411 118.322 2.089 18954 5909 1 14 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.486 -0.032 18954 5910 1 14 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.612 -1.799 18954 5911 1 14 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.748 -0.389 18954 5912 1 14 . 1 1 53 53 LYS H H 53 7.714 7.714 7.928 -0.214 18954 5913 1 14 . 1 1 54 54 VAL N N 54 116.701 116.701 118.822 -2.121 18954 5914 1 14 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.114 0.353 18954 5915 1 14 . 1 1 54 54 VAL CA C 54 59.565 59.565 61.150 -1.585 18954 5916 1 14 . 1 1 54 54 VAL CB C 54 30.833 30.833 32.514 -1.681 18954 5917 1 14 . 1 1 54 54 VAL H H 54 7.041 7.041 7.534 -0.493 18954 5918 1 14 . 1 1 55 55 LYS N N 55 125.891 125.891 124.680 1.211 18954 5919 1 14 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.384 0.364 18954 5920 1 14 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.973 -3.371 18954 5921 1 14 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.383 -0.095 18954 5922 1 14 . 1 1 55 55 LYS H H 55 9.138 9.138 8.044 1.094 18954 5923 1 14 . 1 1 56 56 GLY N N 56 109.312 109.312 108.889 0.423 18954 5924 1 14 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.726 -0.010 18954 5925 1 14 . 1 1 56 56 GLY H H 56 8.489 8.489 8.539 -0.050 18954 5926 1 14 . 1 1 57 57 MET N N 57 118.391 118.391 125.833 -7.442 18954 5927 1 14 . 1 1 57 57 MET HA H 57 4.930 4.930 4.430 0.500 18954 5928 1 14 . 1 1 57 57 MET CA C 57 53.906 53.906 56.868 -2.962 18954 5929 1 14 . 1 1 57 57 MET CB C 57 30.841 30.841 33.648 -2.807 18954 5930 1 14 . 1 1 57 57 MET H H 57 8.039 8.039 7.976 0.063 18954 5931 1 14 . 1 1 58 58 VAL N N 58 124.257 124.257 119.273 4.984 18954 5932 1 14 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.682 -0.233 18954 5933 1 14 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.375 -3.325 18954 5934 1 14 . 1 1 58 58 VAL CB C 58 33.856 33.856 35.240 -1.384 18954 5935 1 14 . 1 1 58 58 VAL H H 58 8.780 8.780 8.866 -0.086 18954 5936 1 14 . 1 1 59 59 PHE N N 59 120.512 120.512 122.137 -1.625 18954 5937 1 14 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.584 0.391 18954 5938 1 14 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.366 -2.802 18954 5939 1 14 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.933 -2.243 18954 5940 1 14 . 1 1 59 59 PHE H H 59 8.432 8.432 8.595 -0.163 18954 5941 1 14 . 1 1 60 60 LEU N N 60 120.934 120.934 121.593 -0.659 18954 5942 1 14 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.804 -0.428 18954 5943 1 14 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.336 -2.109 18954 5944 1 14 . 1 1 60 60 LEU CB C 60 40.525 40.525 44.692 -4.167 18954 5945 1 14 . 1 1 60 60 LEU H H 60 8.291 8.291 8.689 -0.398 18954 5946 1 14 . 1 1 61 61 LYS N N 61 122.117 122.117 120.625 1.492 18954 5947 1 14 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.126 -0.145 18954 5948 1 14 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.688 -2.145 18954 5949 1 14 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.940 -3.297 18954 5950 1 14 . 1 1 61 61 LYS H H 61 8.371 8.371 8.417 -0.046 18954 5951 1 14 . 1 1 62 62 GLY N N 62 114.590 114.590 114.886 -0.296 18954 5952 1 14 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.812 -1.840 18954 5953 1 14 . 1 1 62 62 GLY H H 62 8.870 8.870 8.736 0.134 18954 5954 1 14 . 1 1 63 63 LYS N N 63 111.406 111.406 116.391 -4.985 18954 5955 1 14 . 1 1 63 63 LYS H H 63 8.129 8.129 7.945 0.184 18954 5956 1 14 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.891 -0.425 18954 5957 1 14 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.480 -2.209 18954 5958 1 14 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.232 -3.776 18954 5959 1 14 . 1 1 65 65 GLY N N 65 105.164 105.164 106.544 -1.380 18954 5960 1 14 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.538 -2.946 18954 5961 1 14 . 1 1 65 65 GLY H H 65 7.375 7.375 7.442 -0.067 18954 5962 1 14 . 1 1 66 66 VAL N N 66 111.490 111.490 118.061 -6.571 18954 5963 1 14 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.696 0.695 18954 5964 1 14 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.916 -3.650 18954 5965 1 14 . 1 1 66 66 VAL CB C 66 34.051 34.051 36.331 -2.280 18954 5966 1 14 . 1 1 66 66 VAL H H 66 9.127 9.127 8.602 0.525 18954 5967 1 14 . 1 1 67 67 CYS N N 67 116.847 116.847 118.348 -1.501 18954 5968 1 14 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.230 0.264 18954 5969 1 14 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.453 -2.583 18954 5970 1 14 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.192 -2.708 18954 5971 1 14 . 1 1 67 67 CYS H H 67 8.914 8.914 8.796 0.118 18954 5972 1 14 . 1 1 68 68 PHE N N 68 116.013 116.013 114.974 1.039 18954 5973 1 14 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.910 -0.270 18954 5974 1 14 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.115 -2.479 18954 5975 1 14 . 1 1 68 68 PHE CB C 68 36.964 36.964 41.051 -4.087 18954 5976 1 14 . 1 1 68 68 PHE H H 68 8.118 8.118 7.671 0.447 18954 5977 1 14 . 1 1 69 69 ASP N N 69 119.562 119.562 121.574 -2.012 18954 5978 1 14 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.307 0.430 18954 5979 1 14 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.706 -4.543 18954 5980 1 14 . 1 1 69 69 ASP CB C 69 40.589 40.589 42.877 -2.288 18954 5981 1 14 . 1 1 69 69 ASP H H 69 8.999 8.999 8.841 0.158 18954 5982 1 14 . 1 1 70 70 VAL N N 70 114.283 114.283 116.097 -1.814 18954 5983 1 14 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.941 0.393 18954 5984 1 14 . 1 1 70 70 VAL CA C 70 54.964 54.964 58.176 -3.212 18954 5985 1 14 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.209 -2.673 18954 5986 1 14 . 1 1 70 70 VAL H H 70 8.913 8.913 8.625 0.288 18954 5987 1 14 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.771 0.456 18954 5988 1 14 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.273 -2.435 18954 5989 1 14 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.399 -1.926 18954 5990 1 14 . 1 1 72 72 THR N N 72 121.039 121.039 120.881 0.158 18954 5991 1 14 . 1 1 72 72 THR HA H 72 3.597 3.597 3.760 -0.163 18954 5992 1 14 . 1 1 72 72 THR CA C 72 63.671 63.671 67.108 -3.437 18954 5993 1 14 . 1 1 72 72 THR CB C 72 65.826 65.826 68.346 -2.520 18954 5994 1 14 . 1 1 72 72 THR H H 72 8.235 8.235 8.257 -0.022 18954 5995 1 14 . 1 1 73 73 ALA N N 73 120.196 120.196 120.784 -0.588 18954 5996 1 14 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.067 0.076 18954 5997 1 14 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.082 -2.611 18954 5998 1 14 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.266 -2.171 18954 5999 1 14 . 1 1 73 73 ALA H H 73 8.466 8.466 8.448 0.018 18954 6000 1 14 . 1 1 74 74 SER N N 74 112.214 112.214 112.208 0.006 18954 6001 1 14 . 1 1 74 74 SER HA H 74 4.552 4.552 4.607 -0.055 18954 6002 1 14 . 1 1 74 74 SER CA C 74 57.492 57.492 58.750 -1.258 18954 6003 1 14 . 1 1 74 74 SER CB C 74 62.101 62.101 64.090 -1.988 18954 6004 1 14 . 1 1 74 74 SER H H 74 8.019 8.019 7.730 0.289 18954 6005 1 14 . 1 1 75 75 VAL N N 75 121.652 121.652 123.505 -1.853 18954 6006 1 14 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.591 -0.336 18954 6007 1 14 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.884 -1.877 18954 6008 1 14 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.745 -2.395 18954 6009 1 14 . 1 1 75 75 VAL H H 75 7.222 7.222 7.933 -0.711 18954 6010 1 14 . 1 1 76 76 THR N N 76 113.812 113.812 113.049 0.763 18954 6011 1 14 . 1 1 76 76 THR HA H 76 3.963 3.963 4.022 -0.059 18954 6012 1 14 . 1 1 76 76 THR CA C 76 63.804 63.804 66.466 -2.662 18954 6013 1 14 . 1 1 76 76 THR CB C 76 65.567 65.567 68.259 -2.692 18954 6014 1 14 . 1 1 76 76 THR H H 76 8.107 8.107 7.804 0.303 18954 6015 1 14 . 1 1 77 77 GLU N N 77 121.634 121.634 121.539 0.095 18954 6016 1 14 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.040 -0.007 18954 6017 1 14 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.245 -2.889 18954 6018 1 14 . 1 1 77 77 GLU CB C 77 27.032 27.032 28.878 -1.846 18954 6019 1 14 . 1 1 77 77 GLU H H 77 7.737 7.737 7.523 0.214 18954 6020 1 14 . 1 1 78 78 ILE N N 78 119.383 119.383 119.287 0.096 18954 6021 1 14 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.802 -0.191 18954 6022 1 14 . 1 1 78 78 ILE CA C 78 63.089 63.089 64.443 -1.354 18954 6023 1 14 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.647 -2.031 18954 6024 1 14 . 1 1 78 78 ILE H H 78 7.694 7.694 7.808 -0.114 18954 6025 1 14 . 1 1 79 79 GLN N N 79 116.015 116.015 116.132 -0.117 18954 6026 1 14 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.151 -0.223 18954 6027 1 14 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.122 -1.454 18954 6028 1 14 . 1 1 79 79 GLN CB C 79 26.407 26.407 29.048 -2.641 18954 6029 1 14 . 1 1 79 79 GLN H H 79 8.319 8.319 7.531 0.788 18954 6030 1 14 . 1 1 80 80 GLU N N 80 116.824 116.824 119.466 -2.642 18954 6031 1 14 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.264 -0.197 18954 6032 1 14 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.812 -3.221 18954 6033 1 14 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.253 -2.824 18954 6034 1 14 . 1 1 80 80 GLU H H 80 7.884 7.884 7.824 0.060 18954 6035 1 14 . 1 1 81 81 LYS N N 81 118.113 118.113 115.667 2.446 18954 6036 1 14 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.338 -0.144 18954 6037 1 14 . 1 1 81 81 LYS CA C 81 54.843 54.843 56.380 -1.537 18954 6038 1 14 . 1 1 81 81 LYS CB C 81 32.776 32.776 32.087 0.688 18954 6039 1 14 . 1 1 81 81 LYS H H 81 7.396 7.396 8.265 -0.869 18954 6040 1 14 . 1 1 82 82 TRP N N 82 119.572 119.572 121.710 -2.138 18954 6041 1 14 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.611 -0.499 18954 6042 1 14 . 1 1 82 82 TRP CA C 82 55.919 55.919 56.826 -0.907 18954 6043 1 14 . 1 1 82 82 TRP CB C 82 27.453 27.453 31.654 -4.201 18954 6044 1 14 . 1 1 82 82 TRP H H 82 7.966 7.966 7.197 0.769 18954 6045 1 14 . 1 1 83 83 HIS N N 83 126.139 126.139 121.963 4.176 18954 6046 1 14 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.788 -0.124 18954 6047 1 14 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.305 -2.650 18954 6048 1 14 . 1 1 83 83 HIS CB C 83 28.017 28.017 31.074 -3.057 18954 6049 1 14 . 1 1 83 83 HIS H H 83 8.566 8.566 8.098 0.468 18954 6050 1 14 . 1 1 84 84 ASP N N 84 125.751 125.751 123.566 2.185 18954 6051 1 14 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.755 0.244 18954 6052 1 14 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.984 -3.365 18954 6053 1 14 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.657 -1.916 18954 6054 1 14 . 1 1 84 84 ASP H H 84 8.913 8.913 8.539 0.374 18954 6055 1 14 . 1 1 85 85 SER N N 85 116.332 116.332 117.136 -0.804 18954 6056 1 14 . 1 1 85 85 SER HA H 85 4.924 4.924 4.830 0.094 18954 6057 1 14 . 1 1 85 85 SER CA C 85 53.657 53.657 56.802 -3.145 18954 6058 1 14 . 1 1 85 85 SER CB C 85 64.982 64.982 65.262 -0.280 18954 6059 1 14 . 1 1 85 85 SER H H 85 9.621 9.621 8.534 1.087 18954 6060 1 14 . 1 1 86 86 ARG N N 86 118.680 118.680 124.271 -5.591 18954 6061 1 14 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.360 -0.302 18954 6062 1 14 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.268 -2.421 18954 6063 1 14 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.093 -2.961 18954 6064 1 14 . 1 1 86 86 ARG H H 86 8.695 8.695 8.851 -0.156 18954 6065 1 14 . 1 1 87 87 ARG N N 87 117.323 117.323 116.721 0.602 18954 6066 1 14 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.546 -0.270 18954 6067 1 14 . 1 1 87 87 ARG CA C 87 53.989 53.989 56.131 -2.142 18954 6068 1 14 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.115 -2.533 18954 6069 1 14 . 1 1 87 87 ARG H H 87 7.710 7.710 8.055 -0.345 18954 6070 1 14 . 1 1 88 88 TRP N N 88 115.976 115.976 119.249 -3.273 18954 6071 1 14 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.454 0.423 18954 6072 1 14 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.815 -4.404 18954 6073 1 14 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.933 -0.823 18954 6074 1 14 . 1 1 88 88 TRP H H 88 7.374 7.374 7.936 -0.561 18954 6075 1 14 . 1 1 89 89 GLN N N 89 118.426 118.426 118.775 -0.349 18954 6076 1 14 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.600 -0.073 18954 6077 1 14 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.821 -2.156 18954 6078 1 14 . 1 1 89 89 GLN CB C 89 29.926 29.926 33.034 -3.108 18954 6079 1 14 . 1 1 89 89 GLN H H 89 8.803 8.803 8.537 0.266 18954 6080 1 14 . 1 1 90 90 LEU N N 90 127.680 127.680 122.217 5.463 18954 6081 1 14 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.906 0.323 18954 6082 1 14 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.758 -2.912 18954 6083 1 14 . 1 1 90 90 LEU CB C 90 39.965 39.965 44.205 -4.240 18954 6084 1 14 . 1 1 90 90 LEU H H 90 8.518 8.518 8.856 -0.338 18954 6085 1 14 . 1 1 91 91 SER N N 91 121.513 121.513 114.150 7.363 18954 6086 1 14 . 1 1 91 91 SER HA H 91 4.639 4.639 4.578 0.061 18954 6087 1 14 . 1 1 91 91 SER CA C 91 54.241 54.241 57.621 -3.380 18954 6088 1 14 . 1 1 91 91 SER CB C 91 63.274 63.274 64.039 -0.765 18954 6089 1 14 . 1 1 91 91 SER H H 91 8.979 8.979 8.268 0.711 18954 6090 1 14 . 1 1 92 92 VAL N N 92 120.290 120.290 119.304 0.986 18954 6091 1 14 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.284 -0.168 18954 6092 1 14 . 1 1 92 92 VAL CA C 92 59.889 59.889 60.510 -0.621 18954 6093 1 14 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.359 -5.134 18954 6094 1 14 . 1 1 92 92 VAL H H 92 8.277 8.277 8.250 0.027 18954 6095 1 14 . 1 1 93 93 ALA N N 93 130.076 130.076 127.703 2.373 18954 6096 1 14 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.553 -0.374 18954 6097 1 14 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.887 -2.694 18954 6098 1 14 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.519 -2.899 18954 6099 1 14 . 1 1 93 93 ALA H H 93 8.521 8.521 8.229 0.292 18954 6100 1 14 . 1 1 94 94 THR N N 94 113.705 113.705 111.960 1.745 18954 6101 1 14 . 1 1 94 94 THR HA H 94 4.190 4.190 4.487 -0.297 18954 6102 1 14 . 1 1 94 94 THR CA C 94 65.409 65.409 62.758 2.651 18954 6103 1 14 . 1 1 94 94 THR CB C 94 67.702 67.702 69.751 -2.050 18954 6104 1 14 . 1 1 94 94 THR H H 94 8.099 8.099 8.450 -0.351 18954 6105 1 15 . 1 1 3 3 ILE N N 3 123.622 123.622 117.675 5.947 18954 6106 1 15 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.498 -0.383 18954 6107 1 15 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.265 -2.963 18954 6108 1 15 . 1 1 3 3 ILE CB C 3 36.212 36.212 38.136 -1.924 18954 6109 1 15 . 1 1 3 3 ILE H H 3 8.271 8.271 7.766 0.505 18954 6110 1 15 . 1 1 4 4 SER N N 4 120.605 120.605 120.345 0.260 18954 6111 1 15 . 1 1 4 4 SER HA H 4 4.368 4.368 4.713 -0.345 18954 6112 1 15 . 1 1 4 4 SER CA C 4 55.796 55.796 58.075 -2.279 18954 6113 1 15 . 1 1 4 4 SER CB C 4 60.945 60.945 65.385 -4.440 18954 6114 1 15 . 1 1 4 4 SER H H 4 8.425 8.425 8.394 0.031 18954 6115 1 15 . 1 1 5 5 GLY N N 5 111.455 111.455 110.019 1.436 18954 6116 1 15 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.635 -1.854 18954 6117 1 15 . 1 1 5 5 GLY H H 5 8.406 8.406 8.311 0.095 18954 6118 1 15 . 1 1 6 6 ALA N N 6 123.660 123.660 122.973 0.687 18954 6119 1 15 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.619 -0.300 18954 6120 1 15 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.448 -1.554 18954 6121 1 15 . 1 1 6 6 ALA CB C 6 16.928 16.928 20.253 -3.325 18954 6122 1 15 . 1 1 6 6 ALA H H 6 8.103 8.103 8.149 -0.046 18954 6123 1 15 . 1 1 7 7 THR N N 7 113.014 113.014 114.112 -1.098 18954 6124 1 15 . 1 1 7 7 THR HA H 7 4.309 4.309 4.496 -0.187 18954 6125 1 15 . 1 1 7 7 THR CA C 7 58.886 58.886 62.336 -3.450 18954 6126 1 15 . 1 1 7 7 THR CB C 7 67.461 67.461 69.403 -1.942 18954 6127 1 15 . 1 1 7 7 THR H H 7 8.108 8.108 7.850 0.258 18954 6128 1 15 . 1 1 8 8 SER N N 8 118.032 118.032 117.024 1.008 18954 6129 1 15 . 1 1 8 8 SER HA H 8 4.434 4.434 4.813 -0.379 18954 6130 1 15 . 1 1 8 8 SER CA C 8 55.537 55.537 57.904 -2.367 18954 6131 1 15 . 1 1 8 8 SER CB C 8 61.305 61.305 63.910 -2.605 18954 6132 1 15 . 1 1 8 8 SER H H 8 8.222 8.222 8.593 -0.371 18954 6133 1 15 . 1 1 9 9 VAL N N 9 121.129 121.129 120.409 0.720 18954 6134 1 15 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.333 -0.311 18954 6135 1 15 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.492 -2.478 18954 6136 1 15 . 1 1 9 9 VAL CB C 9 30.139 30.139 32.458 -2.319 18954 6137 1 15 . 1 1 9 9 VAL H H 9 8.098 8.098 8.039 0.059 18954 6138 1 15 . 1 1 10 10 ASP N N 10 123.102 123.102 125.670 -2.568 18954 6139 1 15 . 1 1 10 10 ASP HA H 10 4.503 4.503 5.004 -0.501 18954 6140 1 15 . 1 1 10 10 ASP CA C 10 51.635 51.635 53.828 -2.192 18954 6141 1 15 . 1 1 10 10 ASP CB C 10 38.671 38.671 40.609 -1.938 18954 6142 1 15 . 1 1 10 10 ASP H H 10 8.242 8.242 8.358 -0.116 18954 6143 1 15 . 1 1 11 11 GLN N N 11 121.449 121.449 121.714 -0.265 18954 6144 1 15 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.476 -0.311 18954 6145 1 15 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.467 -1.694 18954 6146 1 15 . 1 1 11 11 GLN CB C 11 26.558 26.558 31.117 -4.559 18954 6147 1 15 . 1 1 11 11 GLN H H 11 8.247 8.247 8.512 -0.265 18954 6148 1 15 . 1 1 12 12 ARG N N 12 121.029 121.029 122.020 -0.991 18954 6149 1 15 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.388 -0.161 18954 6150 1 15 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.827 2.807 18954 6151 1 15 . 1 1 12 12 ARG CB C 12 28.284 28.284 30.591 -2.307 18954 6152 1 15 . 1 1 12 12 ARG H H 12 8.215 8.215 8.488 -0.273 18954 6153 1 15 . 1 1 13 13 SER N N 13 121.168 121.168 113.269 7.899 18954 6154 1 15 . 1 1 13 13 SER HA H 13 4.327 4.327 4.709 -0.382 18954 6155 1 15 . 1 1 13 13 SER CA C 13 56.317 56.317 57.191 -0.875 18954 6156 1 15 . 1 1 13 13 SER CB C 13 61.153 61.153 65.350 -4.197 18954 6157 1 15 . 1 1 13 13 SER H H 13 8.483 8.483 7.791 0.692 18954 6158 1 15 . 1 1 14 14 LEU N N 14 115.731 115.731 122.317 -6.586 18954 6159 1 15 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.196 0.051 18954 6160 1 15 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.398 -3.525 18954 6161 1 15 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.888 -2.199 18954 6162 1 15 . 1 1 14 14 LEU H H 14 8.124 8.124 8.601 -0.477 18954 6163 1 15 . 1 1 15 15 ILE N N 15 119.991 119.991 111.918 8.073 18954 6164 1 15 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.444 -0.447 18954 6165 1 15 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.442 -1.602 18954 6166 1 15 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.756 -1.551 18954 6167 1 15 . 1 1 15 15 ILE H H 15 7.859 7.859 7.363 0.496 18954 6168 1 15 . 1 1 16 16 ASN N N 16 120.780 120.780 121.820 -1.040 18954 6169 1 15 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.406 0.307 18954 6170 1 15 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.049 -1.596 18954 6171 1 15 . 1 1 16 16 ASN H H 16 8.014 8.014 7.930 0.084 18954 6172 1 15 . 1 1 17 17 SER N N 17 115.640 115.640 112.469 3.171 18954 6173 1 15 . 1 1 17 17 SER HA H 17 4.300 4.300 4.535 -0.235 18954 6174 1 15 . 1 1 17 17 SER CA C 17 56.001 56.001 57.715 -1.714 18954 6175 1 15 . 1 1 17 17 SER CB C 17 60.894 60.894 62.851 -1.957 18954 6176 1 15 . 1 1 17 17 SER H H 17 8.121 8.121 7.674 0.447 18954 6177 1 15 . 1 1 18 18 ASN N N 18 121.876 121.876 121.651 0.225 18954 6178 1 15 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.636 0.095 18954 6179 1 15 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.562 -3.269 18954 6180 1 15 . 1 1 18 18 ASN H H 18 8.376 8.376 8.049 0.327 18954 6181 1 15 . 1 1 19 19 VAL N N 19 120.480 120.480 116.590 3.890 18954 6182 1 15 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.198 -0.169 18954 6183 1 15 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.946 -1.598 18954 6184 1 15 . 1 1 19 19 VAL CB C 19 29.903 29.903 34.431 -4.529 18954 6185 1 15 . 1 1 19 19 VAL H H 19 8.022 8.022 8.016 0.006 18954 6186 1 15 . 1 1 20 20 GLY N N 20 112.265 112.265 112.275 -0.010 18954 6187 1 15 . 1 1 20 20 GLY CA C 20 42.698 42.698 46.057 -3.359 18954 6188 1 15 . 1 1 20 20 GLY H H 20 8.567 8.567 7.519 1.048 18954 6189 1 15 . 1 1 21 21 PHE N N 21 119.701 119.701 119.601 0.100 18954 6190 1 15 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.446 -0.313 18954 6191 1 15 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.210 -2.852 18954 6192 1 15 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.872 -2.978 18954 6193 1 15 . 1 1 21 21 PHE H H 21 7.917 7.917 8.356 -0.439 18954 6194 1 15 . 1 1 22 22 VAL N N 22 120.733 120.733 121.209 -0.476 18954 6195 1 15 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.511 -0.250 18954 6196 1 15 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.791 -2.819 18954 6197 1 15 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.830 -2.752 18954 6198 1 15 . 1 1 22 22 VAL H H 22 9.221 9.221 9.142 0.079 18954 6199 1 15 . 1 1 23 23 THR N N 23 123.388 123.388 121.035 2.353 18954 6200 1 15 . 1 1 23 23 THR HA H 23 4.967 4.967 4.808 0.159 18954 6201 1 15 . 1 1 23 23 THR CA C 23 59.731 59.731 62.060 -2.329 18954 6202 1 15 . 1 1 23 23 THR CB C 23 66.715 66.715 69.478 -2.763 18954 6203 1 15 . 1 1 23 23 THR H H 23 8.403 8.403 8.369 0.034 18954 6204 1 15 . 1 1 24 24 MET N N 24 125.957 125.957 122.433 3.524 18954 6205 1 15 . 1 1 24 24 MET HA H 24 4.702 4.702 4.732 -0.030 18954 6206 1 15 . 1 1 24 24 MET CA C 24 51.056 51.056 54.466 -3.410 18954 6207 1 15 . 1 1 24 24 MET CB C 24 32.115 32.115 36.897 -4.782 18954 6208 1 15 . 1 1 24 24 MET H H 24 9.289 9.289 8.884 0.405 18954 6209 1 15 . 1 1 25 25 ILE N N 25 117.652 117.652 119.972 -2.320 18954 6210 1 15 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.675 -0.276 18954 6211 1 15 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.508 -2.749 18954 6212 1 15 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.032 -2.162 18954 6213 1 15 . 1 1 25 25 ILE H H 25 8.572 8.572 8.683 -0.111 18954 6214 1 15 . 1 1 26 26 LEU N N 26 130.281 130.281 127.391 2.890 18954 6215 1 15 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.694 0.520 18954 6216 1 15 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.181 -3.070 18954 6217 1 15 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.476 -3.113 18954 6218 1 15 . 1 1 26 26 LEU H H 26 8.901 8.901 8.946 -0.045 18954 6219 1 15 . 1 1 27 27 GLN N N 27 125.400 125.400 119.701 5.699 18954 6220 1 15 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.714 0.059 18954 6221 1 15 . 1 1 27 27 GLN CB C 27 29.511 29.511 31.497 -1.986 18954 6222 1 15 . 1 1 27 27 GLN H H 27 9.330 9.330 8.839 0.491 18954 6223 1 15 . 1 1 28 28 CYS N N 28 124.065 124.065 122.566 1.499 18954 6224 1 15 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.829 0.294 18954 6225 1 15 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.193 -3.158 18954 6226 1 15 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.031 -0.852 18954 6227 1 15 . 1 1 28 28 CYS H H 28 8.585 8.585 8.235 0.350 18954 6228 1 15 . 1 1 29 29 SER N N 29 121.076 121.076 120.311 0.765 18954 6229 1 15 . 1 1 29 29 SER HA H 29 4.160 4.160 4.476 -0.316 18954 6230 1 15 . 1 1 29 29 SER CA C 29 57.073 57.073 57.824 -0.751 18954 6231 1 15 . 1 1 29 29 SER CB C 29 60.725 60.725 61.619 -0.894 18954 6232 1 15 . 1 1 29 29 SER H H 29 8.519 8.519 8.446 0.073 18954 6233 1 15 . 1 1 30 30 ILE N N 30 117.987 117.987 114.592 3.395 18954 6234 1 15 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.535 -0.227 18954 6235 1 15 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.547 -1.966 18954 6236 1 15 . 1 1 30 30 ILE CB C 30 39.391 39.391 40.721 -1.330 18954 6237 1 15 . 1 1 30 30 ILE H H 30 7.343 7.343 7.271 0.072 18954 6238 1 15 . 1 1 31 31 GLU N N 31 119.585 119.585 122.571 -2.986 18954 6239 1 15 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.309 -0.631 18954 6240 1 15 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.873 -2.649 18954 6241 1 15 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.483 -3.122 18954 6242 1 15 . 1 1 31 31 GLU H H 31 7.901 7.901 8.425 -0.524 18954 6243 1 15 . 1 1 32 32 MET N N 32 126.504 126.504 126.031 0.473 18954 6244 1 15 . 1 1 32 32 MET HA H 32 4.297 4.297 4.402 -0.105 18954 6245 1 15 . 1 1 32 32 MET CA C 32 50.919 50.919 52.682 -1.763 18954 6246 1 15 . 1 1 32 32 MET CB C 32 32.696 32.696 32.510 0.186 18954 6247 1 15 . 1 1 32 32 MET H H 32 8.406 8.406 8.769 -0.363 18954 6248 1 15 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.249 -0.058 18954 6249 1 15 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.129 -2.362 18954 6250 1 15 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.773 -1.747 18954 6251 1 15 . 1 1 34 34 ASN N N 34 107.313 107.313 112.789 -5.476 18954 6252 1 15 . 1 1 34 34 ASN HA H 34 4.816 4.816 4.827 -0.011 18954 6253 1 15 . 1 1 34 34 ASN CA C 34 49.972 49.972 52.302 -2.330 18954 6254 1 15 . 1 1 34 34 ASN CB C 34 38.137 38.137 39.919 -1.782 18954 6255 1 15 . 1 1 34 34 ASN H H 34 7.077 7.077 7.563 -0.486 18954 6256 1 15 . 1 1 35 35 ILE N N 35 122.015 122.015 120.091 1.924 18954 6257 1 15 . 1 1 35 35 ILE HA H 35 3.943 3.943 4.051 -0.108 18954 6258 1 15 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.532 -1.758 18954 6259 1 15 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.590 -2.200 18954 6260 1 15 . 1 1 35 35 ILE H H 35 9.109 9.109 8.784 0.325 18954 6261 1 15 . 1 1 36 36 SER N N 36 119.851 119.851 116.208 3.643 18954 6262 1 15 . 1 1 36 36 SER HA H 36 4.366 4.366 4.539 -0.173 18954 6263 1 15 . 1 1 36 36 SER CA C 36 59.274 59.274 61.632 -2.358 18954 6264 1 15 . 1 1 36 36 SER CB C 36 59.818 59.818 63.097 -3.279 18954 6265 1 15 . 1 1 36 36 SER H H 36 8.936 8.936 8.644 0.292 18954 6266 1 15 . 1 1 37 37 TYR N N 37 122.338 122.338 121.552 0.786 18954 6267 1 15 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.222 -0.019 18954 6268 1 15 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.719 -3.534 18954 6269 1 15 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.233 -1.840 18954 6270 1 15 . 1 1 37 37 TYR H H 37 7.808 7.808 8.372 -0.564 18954 6271 1 15 . 1 1 38 38 ALA N N 38 120.761 120.761 121.502 -0.741 18954 6272 1 15 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.940 -0.069 18954 6273 1 15 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.594 -2.797 18954 6274 1 15 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.841 -1.185 18954 6275 1 15 . 1 1 38 38 ALA H H 38 7.364 7.364 8.014 -0.650 18954 6276 1 15 . 1 1 39 39 TRP N N 39 115.813 115.813 118.623 -2.810 18954 6277 1 15 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.011 0.065 18954 6278 1 15 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.467 -2.737 18954 6279 1 15 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.180 -1.468 18954 6280 1 15 . 1 1 39 39 TRP H H 39 7.134 7.134 7.601 -0.467 18954 6281 1 15 . 1 1 40 40 LYS N N 40 117.209 117.209 118.240 -1.031 18954 6282 1 15 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.865 -0.016 18954 6283 1 15 . 1 1 40 40 LYS CA C 40 56.984 56.984 59.646 -2.662 18954 6284 1 15 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.046 -2.057 18954 6285 1 15 . 1 1 40 40 LYS H H 40 8.091 8.091 8.045 0.046 18954 6286 1 15 . 1 1 41 41 GLU N N 41 119.521 119.521 117.776 1.745 18954 6287 1 15 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.952 0.002 18954 6288 1 15 . 1 1 41 41 GLU CA C 41 55.902 55.902 58.739 -2.837 18954 6289 1 15 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.922 -3.000 18954 6290 1 15 . 1 1 41 41 GLU H H 41 6.674 6.674 7.252 -0.578 18954 6291 1 15 . 1 1 42 42 LEU N N 42 117.269 117.269 120.850 -3.581 18954 6292 1 15 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.132 -0.245 18954 6293 1 15 . 1 1 42 42 LEU CA C 42 55.840 55.840 57.742 -1.902 18954 6294 1 15 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.053 -1.215 18954 6295 1 15 . 1 1 42 42 LEU H H 42 7.866 7.866 8.487 -0.621 18954 6296 1 15 . 1 1 43 43 LYS N N 43 117.633 117.633 117.021 0.612 18954 6297 1 15 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.349 -0.380 18954 6298 1 15 . 1 1 43 43 LYS CA C 43 56.007 56.007 58.385 -2.377 18954 6299 1 15 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.024 -1.932 18954 6300 1 15 . 1 1 43 43 LYS H H 43 8.458 8.458 8.218 0.240 18954 6301 1 15 . 1 1 44 44 GLU N N 44 120.906 120.906 117.238 3.668 18954 6302 1 15 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.241 -0.398 18954 6303 1 15 . 1 1 44 44 GLU CA C 44 56.955 56.955 57.603 -0.648 18954 6304 1 15 . 1 1 44 44 GLU CB C 44 26.855 26.855 30.224 -3.369 18954 6305 1 15 . 1 1 44 44 GLU H H 44 8.013 8.013 7.739 0.274 18954 6306 1 15 . 1 1 45 45 GLN N N 45 113.584 113.584 119.858 -6.274 18954 6307 1 15 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.327 -0.189 18954 6308 1 15 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.046 1.131 18954 6309 1 15 . 1 1 45 45 GLN CB C 45 27.536 27.536 30.027 -2.491 18954 6310 1 15 . 1 1 45 45 GLN H H 45 7.665 7.665 7.742 -0.077 18954 6311 1 15 . 1 1 46 46 LEU N N 46 114.594 114.594 120.834 -6.240 18954 6312 1 15 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.481 -0.011 18954 6313 1 15 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.938 -3.009 18954 6314 1 15 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.538 -2.902 18954 6315 1 15 . 1 1 46 46 LEU H H 46 8.652 8.652 8.242 0.410 18954 6316 1 15 . 1 1 47 47 GLY N N 47 110.084 110.084 107.028 3.056 18954 6317 1 15 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.469 -2.630 18954 6318 1 15 . 1 1 47 47 GLY H H 47 7.642 7.642 7.601 0.041 18954 6319 1 15 . 1 1 48 48 GLU N N 48 118.535 118.535 121.241 -2.706 18954 6320 1 15 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.078 -0.366 18954 6321 1 15 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.026 -1.604 18954 6322 1 15 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.823 -2.358 18954 6323 1 15 . 1 1 48 48 GLU H H 48 8.348 8.348 8.774 -0.426 18954 6324 1 15 . 1 1 49 49 GLU N N 49 114.460 114.460 119.190 -4.730 18954 6325 1 15 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.410 -0.037 18954 6326 1 15 . 1 1 49 49 GLU CA C 49 54.413 54.413 55.775 -1.362 18954 6327 1 15 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.382 -2.421 18954 6328 1 15 . 1 1 49 49 GLU H H 49 8.498 8.498 8.403 0.095 18954 6329 1 15 . 1 1 50 50 ILE N N 50 121.524 121.524 120.945 0.579 18954 6330 1 15 . 1 1 50 50 ILE HA H 50 4.102 4.102 4.260 -0.158 18954 6331 1 15 . 1 1 50 50 ILE CA C 50 57.703 57.703 60.761 -3.058 18954 6332 1 15 . 1 1 50 50 ILE CB C 50 35.737 35.737 39.250 -3.513 18954 6333 1 15 . 1 1 50 50 ILE H H 50 7.617 7.617 7.505 0.112 18954 6334 1 15 . 1 1 51 51 ASP N N 51 119.881 119.881 121.492 -1.611 18954 6335 1 15 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.500 -0.200 18954 6336 1 15 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.359 -2.827 18954 6337 1 15 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.922 -2.724 18954 6338 1 15 . 1 1 51 51 ASP H H 51 7.926 7.926 8.614 -0.688 18954 6339 1 15 . 1 1 52 52 SER N N 52 113.164 113.164 114.795 -1.631 18954 6340 1 15 . 1 1 52 52 SER HA H 52 4.403 4.403 4.416 -0.013 18954 6341 1 15 . 1 1 52 52 SER CA C 52 56.968 56.968 60.434 -3.466 18954 6342 1 15 . 1 1 52 52 SER CB C 52 61.183 61.183 63.085 -1.902 18954 6343 1 15 . 1 1 52 52 SER H H 52 7.888 7.888 8.192 -0.304 18954 6344 1 15 . 1 1 53 53 LYS N N 53 120.411 120.411 119.556 0.855 18954 6345 1 15 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.455 -0.001 18954 6346 1 15 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.954 -2.141 18954 6347 1 15 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.202 0.157 18954 6348 1 15 . 1 1 53 53 LYS H H 53 7.714 7.714 7.792 -0.078 18954 6349 1 15 . 1 1 54 54 VAL N N 54 116.701 116.701 117.995 -1.294 18954 6350 1 15 . 1 1 54 54 VAL HA H 54 4.467 4.467 5.221 -0.754 18954 6351 1 15 . 1 1 54 54 VAL CA C 54 59.565 59.565 59.619 -0.054 18954 6352 1 15 . 1 1 54 54 VAL CB C 54 30.833 30.833 35.886 -5.053 18954 6353 1 15 . 1 1 54 54 VAL H H 54 7.041 7.041 7.530 -0.489 18954 6354 1 15 . 1 1 55 55 LYS N N 55 125.891 125.891 123.702 2.189 18954 6355 1 15 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.742 0.006 18954 6356 1 15 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.951 -3.349 18954 6357 1 15 . 1 1 55 55 LYS CB C 55 33.288 33.288 35.215 -1.927 18954 6358 1 15 . 1 1 55 55 LYS H H 55 9.138 9.138 8.829 0.309 18954 6359 1 15 . 1 1 56 56 GLY N N 56 109.312 109.312 110.834 -1.522 18954 6360 1 15 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.896 -1.180 18954 6361 1 15 . 1 1 56 56 GLY H H 56 8.489 8.489 8.720 -0.231 18954 6362 1 15 . 1 1 57 57 MET N N 57 118.391 118.391 119.982 -1.591 18954 6363 1 15 . 1 1 57 57 MET HA H 57 4.930 4.930 4.606 0.324 18954 6364 1 15 . 1 1 57 57 MET CA C 57 53.906 53.906 56.424 -2.518 18954 6365 1 15 . 1 1 57 57 MET CB C 57 30.841 30.841 33.582 -2.741 18954 6366 1 15 . 1 1 57 57 MET H H 57 8.039 8.039 7.841 0.198 18954 6367 1 15 . 1 1 58 58 VAL N N 58 124.257 124.257 121.055 3.202 18954 6368 1 15 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.722 -0.273 18954 6369 1 15 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.215 -3.165 18954 6370 1 15 . 1 1 58 58 VAL CB C 58 33.856 33.856 35.203 -1.347 18954 6371 1 15 . 1 1 58 58 VAL H H 58 8.780 8.780 8.877 -0.097 18954 6372 1 15 . 1 1 59 59 PHE N N 59 120.512 120.512 118.928 1.584 18954 6373 1 15 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.602 0.373 18954 6374 1 15 . 1 1 59 59 PHE CA C 59 56.564 56.564 58.692 -2.128 18954 6375 1 15 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.549 -1.859 18954 6376 1 15 . 1 1 59 59 PHE H H 59 8.432 8.432 8.318 0.114 18954 6377 1 15 . 1 1 60 60 LEU N N 60 120.934 120.934 124.085 -3.151 18954 6378 1 15 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.231 0.145 18954 6379 1 15 . 1 1 60 60 LEU CA C 60 51.227 51.227 55.000 -3.773 18954 6380 1 15 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.615 -2.090 18954 6381 1 15 . 1 1 60 60 LEU H H 60 8.291 8.291 7.946 0.345 18954 6382 1 15 . 1 1 61 61 LYS N N 61 122.117 122.117 119.156 2.961 18954 6383 1 15 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.183 -0.202 18954 6384 1 15 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.206 -1.663 18954 6385 1 15 . 1 1 61 61 LYS CB C 61 29.642 29.642 31.997 -2.354 18954 6386 1 15 . 1 1 61 61 LYS H H 61 8.371 8.371 8.525 -0.154 18954 6387 1 15 . 1 1 62 62 GLY N N 62 114.590 114.590 106.197 8.393 18954 6388 1 15 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.395 -1.423 18954 6389 1 15 . 1 1 62 62 GLY H H 62 8.870 8.870 7.190 1.680 18954 6390 1 15 . 1 1 63 63 LYS N N 63 111.406 111.406 120.626 -9.220 18954 6391 1 15 . 1 1 63 63 LYS H H 63 8.129 8.129 8.654 -0.525 18954 6392 1 15 . 1 1 64 64 LEU HA H 64 4.466 4.466 5.017 -0.551 18954 6393 1 15 . 1 1 64 64 LEU CA C 64 52.271 52.271 53.735 -1.464 18954 6394 1 15 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.117 -3.661 18954 6395 1 15 . 1 1 65 65 GLY N N 65 105.164 105.164 105.714 -0.550 18954 6396 1 15 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.784 -3.192 18954 6397 1 15 . 1 1 65 65 GLY H H 65 7.375 7.375 7.590 -0.215 18954 6398 1 15 . 1 1 66 66 VAL N N 66 111.490 111.490 114.465 -2.975 18954 6399 1 15 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.721 0.670 18954 6400 1 15 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.202 -2.935 18954 6401 1 15 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.206 -1.155 18954 6402 1 15 . 1 1 66 66 VAL H H 66 9.127 9.127 7.689 1.438 18954 6403 1 15 . 1 1 67 67 CYS N N 67 116.847 116.847 116.715 0.132 18954 6404 1 15 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.703 -0.209 18954 6405 1 15 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.799 -2.929 18954 6406 1 15 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.105 -2.620 18954 6407 1 15 . 1 1 67 67 CYS H H 67 8.914 8.914 8.909 0.005 18954 6408 1 15 . 1 1 68 68 PHE N N 68 116.013 116.013 118.236 -2.223 18954 6409 1 15 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.985 -0.345 18954 6410 1 15 . 1 1 68 68 PHE CA C 68 53.636 53.636 55.778 -2.142 18954 6411 1 15 . 1 1 68 68 PHE CB C 68 36.964 36.964 41.170 -4.206 18954 6412 1 15 . 1 1 68 68 PHE H H 68 8.118 8.118 8.582 -0.464 18954 6413 1 15 . 1 1 69 69 ASP N N 69 119.562 119.562 121.002 -1.440 18954 6414 1 15 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.283 0.454 18954 6415 1 15 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.244 -4.081 18954 6416 1 15 . 1 1 69 69 ASP CB C 69 40.589 40.589 44.043 -3.454 18954 6417 1 15 . 1 1 69 69 ASP H H 69 8.999 8.999 8.364 0.635 18954 6418 1 15 . 1 1 70 70 VAL N N 70 114.283 114.283 117.365 -3.082 18954 6419 1 15 . 1 1 70 70 VAL HA H 70 5.334 5.334 5.290 0.044 18954 6420 1 15 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.831 -2.867 18954 6421 1 15 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.425 -2.889 18954 6422 1 15 . 1 1 70 70 VAL H H 70 8.913 8.913 9.192 -0.279 18954 6423 1 15 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.629 0.598 18954 6424 1 15 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.145 -2.307 18954 6425 1 15 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.869 -2.396 18954 6426 1 15 . 1 1 72 72 THR N N 72 121.039 121.039 120.890 0.149 18954 6427 1 15 . 1 1 72 72 THR HA H 72 3.597 3.597 3.872 -0.275 18954 6428 1 15 . 1 1 72 72 THR CA C 72 63.671 63.671 66.590 -2.919 18954 6429 1 15 . 1 1 72 72 THR CB C 72 65.826 65.826 68.170 -2.344 18954 6430 1 15 . 1 1 72 72 THR H H 72 8.235 8.235 8.110 0.125 18954 6431 1 15 . 1 1 73 73 ALA N N 73 120.196 120.196 121.458 -1.262 18954 6432 1 15 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.129 0.014 18954 6433 1 15 . 1 1 73 73 ALA CA C 73 51.471 51.471 53.927 -2.456 18954 6434 1 15 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.932 -1.837 18954 6435 1 15 . 1 1 73 73 ALA H H 73 8.466 8.466 8.535 -0.069 18954 6436 1 15 . 1 1 74 74 SER N N 74 112.214 112.214 111.441 0.773 18954 6437 1 15 . 1 1 74 74 SER HA H 74 4.552 4.552 4.788 -0.236 18954 6438 1 15 . 1 1 74 74 SER CA C 74 57.492 57.492 58.188 -0.696 18954 6439 1 15 . 1 1 74 74 SER CB C 74 62.101 62.101 64.456 -2.355 18954 6440 1 15 . 1 1 74 74 SER H H 74 8.019 8.019 7.901 0.118 18954 6441 1 15 . 1 1 75 75 VAL N N 75 121.652 121.652 124.062 -2.410 18954 6442 1 15 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.573 -0.318 18954 6443 1 15 . 1 1 75 75 VAL CA C 75 65.007 65.007 67.279 -2.272 18954 6444 1 15 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.748 -2.398 18954 6445 1 15 . 1 1 75 75 VAL H H 75 7.222 7.222 7.733 -0.511 18954 6446 1 15 . 1 1 76 76 THR N N 76 113.812 113.812 115.080 -1.268 18954 6447 1 15 . 1 1 76 76 THR HA H 76 3.963 3.963 3.911 0.052 18954 6448 1 15 . 1 1 76 76 THR CA C 76 63.804 63.804 66.849 -3.045 18954 6449 1 15 . 1 1 76 76 THR CB C 76 65.567 65.567 68.507 -2.940 18954 6450 1 15 . 1 1 76 76 THR H H 76 8.107 8.107 8.278 -0.171 18954 6451 1 15 . 1 1 77 77 GLU N N 77 121.634 121.634 120.317 1.317 18954 6452 1 15 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.090 -0.057 18954 6453 1 15 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.332 -2.976 18954 6454 1 15 . 1 1 77 77 GLU CB C 77 27.032 27.032 28.787 -1.755 18954 6455 1 15 . 1 1 77 77 GLU H H 77 7.737 7.737 8.633 -0.896 18954 6456 1 15 . 1 1 78 78 ILE N N 78 119.383 119.383 120.222 -0.839 18954 6457 1 15 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.812 -0.201 18954 6458 1 15 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.061 -1.972 18954 6459 1 15 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.970 -2.354 18954 6460 1 15 . 1 1 78 78 ILE H H 78 7.694 7.694 7.578 0.116 18954 6461 1 15 . 1 1 79 79 GLN N N 79 116.015 116.015 118.047 -2.032 18954 6462 1 15 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.077 -0.149 18954 6463 1 15 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.454 -1.786 18954 6464 1 15 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.001 -1.594 18954 6465 1 15 . 1 1 79 79 GLN H H 79 8.319 8.319 8.035 0.284 18954 6466 1 15 . 1 1 80 80 GLU N N 80 116.824 116.824 118.347 -1.523 18954 6467 1 15 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.381 -0.314 18954 6468 1 15 . 1 1 80 80 GLU CA C 80 55.591 55.591 57.743 -2.152 18954 6469 1 15 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.930 -2.501 18954 6470 1 15 . 1 1 80 80 GLU H H 80 7.884 7.884 8.126 -0.242 18954 6471 1 15 . 1 1 81 81 LYS N N 81 118.113 118.113 119.251 -1.138 18954 6472 1 15 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.528 -0.334 18954 6473 1 15 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.878 -1.035 18954 6474 1 15 . 1 1 81 81 LYS CB C 81 32.776 32.776 32.505 0.271 18954 6475 1 15 . 1 1 81 81 LYS H H 81 7.396 7.396 7.700 -0.304 18954 6476 1 15 . 1 1 82 82 TRP N N 82 119.572 119.572 120.430 -0.858 18954 6477 1 15 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.857 -0.745 18954 6478 1 15 . 1 1 82 82 TRP CA C 82 55.919 55.919 57.772 -1.853 18954 6479 1 15 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.934 -3.481 18954 6480 1 15 . 1 1 82 82 TRP H H 82 7.966 7.966 7.555 0.411 18954 6481 1 15 . 1 1 83 83 HIS N N 83 126.139 126.139 126.978 -0.839 18954 6482 1 15 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.836 -0.172 18954 6483 1 15 . 1 1 83 83 HIS CA C 83 51.655 51.655 55.274 -3.619 18954 6484 1 15 . 1 1 83 83 HIS CB C 83 28.017 28.017 30.330 -2.313 18954 6485 1 15 . 1 1 83 83 HIS H H 83 8.566 8.566 8.081 0.485 18954 6486 1 15 . 1 1 84 84 ASP N N 84 125.751 125.751 118.421 7.330 18954 6487 1 15 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.473 0.526 18954 6488 1 15 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.673 -3.054 18954 6489 1 15 . 1 1 84 84 ASP CB C 84 39.741 39.741 40.722 -0.981 18954 6490 1 15 . 1 1 84 84 ASP H H 84 8.913 8.913 8.201 0.712 18954 6491 1 15 . 1 1 85 85 SER N N 85 116.332 116.332 113.470 2.862 18954 6492 1 15 . 1 1 85 85 SER HA H 85 4.924 4.924 4.567 0.357 18954 6493 1 15 . 1 1 85 85 SER CA C 85 53.657 53.657 56.995 -3.338 18954 6494 1 15 . 1 1 85 85 SER CB C 85 64.982 64.982 65.703 -0.720 18954 6495 1 15 . 1 1 85 85 SER H H 85 9.621 9.621 8.356 1.265 18954 6496 1 15 . 1 1 86 86 ARG N N 86 118.680 118.680 124.463 -5.783 18954 6497 1 15 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.102 -0.044 18954 6498 1 15 . 1 1 86 86 ARG CA C 86 55.847 55.847 59.051 -3.204 18954 6499 1 15 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.271 -3.139 18954 6500 1 15 . 1 1 86 86 ARG H H 86 8.695 8.695 8.935 -0.240 18954 6501 1 15 . 1 1 87 87 ARG N N 87 117.323 117.323 116.574 0.749 18954 6502 1 15 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.571 -0.295 18954 6503 1 15 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.456 -1.467 18954 6504 1 15 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.009 -2.427 18954 6505 1 15 . 1 1 87 87 ARG H H 87 7.710 7.710 8.553 -0.843 18954 6506 1 15 . 1 1 88 88 TRP N N 88 115.976 115.976 120.035 -4.059 18954 6507 1 15 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.664 0.213 18954 6508 1 15 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.225 -3.814 18954 6509 1 15 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.324 -0.214 18954 6510 1 15 . 1 1 88 88 TRP H H 88 7.374 7.374 8.567 -1.193 18954 6511 1 15 . 1 1 89 89 GLN N N 89 118.426 118.426 119.549 -1.123 18954 6512 1 15 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.170 0.357 18954 6513 1 15 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.148 -2.483 18954 6514 1 15 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.795 -2.869 18954 6515 1 15 . 1 1 89 89 GLN H H 89 8.803 8.803 9.205 -0.402 18954 6516 1 15 . 1 1 90 90 LEU N N 90 127.680 127.680 122.304 5.376 18954 6517 1 15 . 1 1 90 90 LEU HA H 90 5.229 5.229 5.011 0.218 18954 6518 1 15 . 1 1 90 90 LEU CA C 90 50.846 50.846 54.182 -3.336 18954 6519 1 15 . 1 1 90 90 LEU CB C 90 39.965 39.965 44.168 -4.203 18954 6520 1 15 . 1 1 90 90 LEU H H 90 8.518 8.518 8.843 -0.325 18954 6521 1 15 . 1 1 91 91 SER N N 91 121.513 121.513 116.489 5.024 18954 6522 1 15 . 1 1 91 91 SER HA H 91 4.639 4.639 4.775 -0.136 18954 6523 1 15 . 1 1 91 91 SER CA C 91 54.241 54.241 57.556 -3.315 18954 6524 1 15 . 1 1 91 91 SER CB C 91 63.274 63.274 66.247 -2.973 18954 6525 1 15 . 1 1 91 91 SER H H 91 8.979 8.979 8.438 0.541 18954 6526 1 15 . 1 1 92 92 VAL N N 92 120.290 120.290 119.793 0.497 18954 6527 1 15 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.299 -0.183 18954 6528 1 15 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.134 0.755 18954 6529 1 15 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.221 -4.996 18954 6530 1 15 . 1 1 92 92 VAL H H 92 8.277 8.277 8.261 0.016 18954 6531 1 15 . 1 1 93 93 ALA N N 93 130.076 130.076 128.602 1.474 18954 6532 1 15 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.619 -0.440 18954 6533 1 15 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.530 -2.337 18954 6534 1 15 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.715 -3.095 18954 6535 1 15 . 1 1 93 93 ALA H H 93 8.521 8.521 8.328 0.193 18954 6536 1 15 . 1 1 94 94 THR N N 94 113.705 113.705 113.093 0.612 18954 6537 1 15 . 1 1 94 94 THR HA H 94 4.190 4.190 4.368 -0.178 18954 6538 1 15 . 1 1 94 94 THR CA C 94 65.409 65.409 62.395 3.014 18954 6539 1 15 . 1 1 94 94 THR CB C 94 67.702 67.702 69.478 -1.776 18954 6540 1 15 . 1 1 94 94 THR H H 94 8.099 8.099 8.228 -0.129 18954 6541 1 16 . 1 1 3 3 ILE N N 3 123.622 123.622 113.161 10.461 18954 6542 1 16 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.601 -0.486 18954 6543 1 16 . 1 1 3 3 ILE CA C 3 58.302 58.302 60.402 -2.100 18954 6544 1 16 . 1 1 3 3 ILE CB C 3 36.212 36.212 39.591 -3.379 18954 6545 1 16 . 1 1 3 3 ILE H H 3 8.271 8.271 8.334 -0.063 18954 6546 1 16 . 1 1 4 4 SER N N 4 120.605 120.605 117.306 3.299 18954 6547 1 16 . 1 1 4 4 SER HA H 4 4.368 4.368 4.323 0.045 18954 6548 1 16 . 1 1 4 4 SER CA C 4 55.796 55.796 60.114 -4.319 18954 6549 1 16 . 1 1 4 4 SER CB C 4 60.945 60.945 63.602 -2.657 18954 6550 1 16 . 1 1 4 4 SER H H 4 8.425 8.425 7.901 0.524 18954 6551 1 16 . 1 1 5 5 GLY N N 5 111.455 111.455 111.269 0.186 18954 6552 1 16 . 1 1 5 5 GLY CA C 5 42.781 42.781 45.725 -2.944 18954 6553 1 16 . 1 1 5 5 GLY H H 5 8.406 8.406 8.660 -0.254 18954 6554 1 16 . 1 1 6 6 ALA N N 6 123.660 123.660 122.582 1.078 18954 6555 1 16 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.796 -0.477 18954 6556 1 16 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.025 -2.131 18954 6557 1 16 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.356 -2.428 18954 6558 1 16 . 1 1 6 6 ALA H H 6 8.103 8.103 8.014 0.089 18954 6559 1 16 . 1 1 7 7 THR N N 7 113.014 113.014 111.603 1.411 18954 6560 1 16 . 1 1 7 7 THR HA H 7 4.309 4.309 4.309 -0.000 18954 6561 1 16 . 1 1 7 7 THR CA C 7 58.886 58.886 62.973 -4.087 18954 6562 1 16 . 1 1 7 7 THR CB C 7 67.461 67.461 68.987 -1.526 18954 6563 1 16 . 1 1 7 7 THR H H 7 8.108 8.108 8.113 -0.005 18954 6564 1 16 . 1 1 8 8 SER N N 8 118.032 118.032 119.011 -0.979 18954 6565 1 16 . 1 1 8 8 SER HA H 8 4.434 4.434 4.510 -0.076 18954 6566 1 16 . 1 1 8 8 SER CA C 8 55.537 55.537 58.184 -2.647 18954 6567 1 16 . 1 1 8 8 SER CB C 8 61.305 61.305 63.583 -2.278 18954 6568 1 16 . 1 1 8 8 SER H H 8 8.222 8.222 8.053 0.169 18954 6569 1 16 . 1 1 9 9 VAL N N 9 121.129 121.129 118.482 2.647 18954 6570 1 16 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.050 -0.028 18954 6571 1 16 . 1 1 9 9 VAL CA C 9 60.014 60.014 63.578 -3.564 18954 6572 1 16 . 1 1 9 9 VAL CB C 9 30.139 30.139 31.634 -1.495 18954 6573 1 16 . 1 1 9 9 VAL H H 9 8.098 8.098 8.756 -0.658 18954 6574 1 16 . 1 1 10 10 ASP N N 10 123.102 123.102 118.922 4.180 18954 6575 1 16 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.862 -0.359 18954 6576 1 16 . 1 1 10 10 ASP CA C 10 51.635 51.635 53.721 -2.087 18954 6577 1 16 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.105 -2.433 18954 6578 1 16 . 1 1 10 10 ASP H H 10 8.242 8.242 7.970 0.272 18954 6579 1 16 . 1 1 11 11 GLN N N 11 121.449 121.449 118.686 2.763 18954 6580 1 16 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.626 -0.461 18954 6581 1 16 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.199 -1.426 18954 6582 1 16 . 1 1 11 11 GLN CB C 11 26.558 26.558 31.364 -4.806 18954 6583 1 16 . 1 1 11 11 GLN H H 11 8.247 8.247 7.692 0.555 18954 6584 1 16 . 1 1 12 12 ARG N N 12 121.029 121.029 121.958 -0.929 18954 6585 1 16 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.952 -0.725 18954 6586 1 16 . 1 1 12 12 ARG CA C 12 59.634 59.634 55.911 3.723 18954 6587 1 16 . 1 1 12 12 ARG CB C 12 28.284 28.284 32.030 -3.746 18954 6588 1 16 . 1 1 12 12 ARG H H 12 8.215 8.215 8.598 -0.383 18954 6589 1 16 . 1 1 13 13 SER N N 13 121.168 121.168 112.771 8.397 18954 6590 1 16 . 1 1 13 13 SER HA H 13 4.327 4.327 4.719 -0.392 18954 6591 1 16 . 1 1 13 13 SER CA C 13 56.317 56.317 57.362 -1.045 18954 6592 1 16 . 1 1 13 13 SER CB C 13 61.153 61.153 66.257 -5.104 18954 6593 1 16 . 1 1 13 13 SER H H 13 8.483 8.483 8.105 0.378 18954 6594 1 16 . 1 1 14 14 LEU N N 14 115.731 115.731 124.220 -8.489 18954 6595 1 16 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.433 -0.186 18954 6596 1 16 . 1 1 14 14 LEU CA C 14 52.873 52.873 55.495 -2.622 18954 6597 1 16 . 1 1 14 14 LEU CB C 14 39.689 39.689 40.065 -0.376 18954 6598 1 16 . 1 1 14 14 LEU H H 14 8.124 8.124 8.697 -0.573 18954 6599 1 16 . 1 1 15 15 ILE N N 15 119.991 119.991 113.677 6.314 18954 6600 1 16 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.359 -0.362 18954 6601 1 16 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.650 -1.810 18954 6602 1 16 . 1 1 15 15 ILE CB C 15 36.205 36.205 38.385 -2.180 18954 6603 1 16 . 1 1 15 15 ILE H H 15 7.859 7.859 7.508 0.351 18954 6604 1 16 . 1 1 16 16 ASN N N 16 120.780 120.780 123.708 -2.928 18954 6605 1 16 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.505 0.208 18954 6606 1 16 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.258 -1.805 18954 6607 1 16 . 1 1 16 16 ASN H H 16 8.014 8.014 8.169 -0.155 18954 6608 1 16 . 1 1 17 17 SER N N 17 115.640 115.640 112.930 2.710 18954 6609 1 16 . 1 1 17 17 SER HA H 17 4.300 4.300 4.510 -0.210 18954 6610 1 16 . 1 1 17 17 SER CA C 17 56.001 56.001 58.866 -2.865 18954 6611 1 16 . 1 1 17 17 SER CB C 17 60.894 60.894 62.341 -1.447 18954 6612 1 16 . 1 1 17 17 SER H H 17 8.121 8.121 7.730 0.391 18954 6613 1 16 . 1 1 18 18 ASN N N 18 121.876 121.876 121.617 0.259 18954 6614 1 16 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.842 -0.111 18954 6615 1 16 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.554 -3.261 18954 6616 1 16 . 1 1 18 18 ASN H H 18 8.376 8.376 8.394 -0.018 18954 6617 1 16 . 1 1 19 19 VAL N N 19 120.480 120.480 119.562 0.918 18954 6618 1 16 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.433 -0.404 18954 6619 1 16 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.283 -0.935 18954 6620 1 16 . 1 1 19 19 VAL CB C 19 29.903 29.903 32.800 -2.897 18954 6621 1 16 . 1 1 19 19 VAL H H 19 8.022 8.022 7.592 0.430 18954 6622 1 16 . 1 1 20 20 GLY N N 20 112.265 112.265 116.547 -4.282 18954 6623 1 16 . 1 1 20 20 GLY CA C 20 42.698 42.698 46.108 -3.410 18954 6624 1 16 . 1 1 20 20 GLY H H 20 8.567 8.567 8.428 0.139 18954 6625 1 16 . 1 1 21 21 PHE N N 21 119.701 119.701 120.716 -1.015 18954 6626 1 16 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.482 -0.349 18954 6627 1 16 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.203 -2.845 18954 6628 1 16 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.531 -2.637 18954 6629 1 16 . 1 1 21 21 PHE H H 21 7.917 7.917 8.175 -0.259 18954 6630 1 16 . 1 1 22 22 VAL N N 22 120.733 120.733 120.738 -0.005 18954 6631 1 16 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.359 -0.098 18954 6632 1 16 . 1 1 22 22 VAL CA C 22 57.972 57.972 61.070 -3.098 18954 6633 1 16 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.536 -2.458 18954 6634 1 16 . 1 1 22 22 VAL H H 22 9.221 9.221 8.983 0.238 18954 6635 1 16 . 1 1 23 23 THR N N 23 123.388 123.388 120.593 2.795 18954 6636 1 16 . 1 1 23 23 THR HA H 23 4.967 4.967 4.926 0.041 18954 6637 1 16 . 1 1 23 23 THR CA C 23 59.731 59.731 62.718 -2.987 18954 6638 1 16 . 1 1 23 23 THR CB C 23 66.715 66.715 69.347 -2.632 18954 6639 1 16 . 1 1 23 23 THR H H 23 8.403 8.403 8.399 0.004 18954 6640 1 16 . 1 1 24 24 MET N N 24 125.957 125.957 123.083 2.874 18954 6641 1 16 . 1 1 24 24 MET HA H 24 4.702 4.702 4.522 0.179 18954 6642 1 16 . 1 1 24 24 MET CA C 24 51.056 51.056 54.530 -3.474 18954 6643 1 16 . 1 1 24 24 MET CB C 24 32.115 32.115 35.312 -3.197 18954 6644 1 16 . 1 1 24 24 MET H H 24 9.289 9.289 8.973 0.316 18954 6645 1 16 . 1 1 25 25 ILE N N 25 117.652 117.652 118.506 -0.854 18954 6646 1 16 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.471 -0.072 18954 6647 1 16 . 1 1 25 25 ILE CA C 25 56.759 56.759 58.865 -2.106 18954 6648 1 16 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.420 -2.550 18954 6649 1 16 . 1 1 25 25 ILE H H 25 8.572 8.572 7.792 0.780 18954 6650 1 16 . 1 1 26 26 LEU N N 26 130.281 130.281 123.906 6.375 18954 6651 1 16 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.713 0.501 18954 6652 1 16 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.019 -2.908 18954 6653 1 16 . 1 1 26 26 LEU CB C 26 41.363 41.363 45.906 -4.543 18954 6654 1 16 . 1 1 26 26 LEU H H 26 8.901 8.901 8.498 0.403 18954 6655 1 16 . 1 1 27 27 GLN N N 27 125.400 125.400 121.606 3.794 18954 6656 1 16 . 1 1 27 27 GLN HA H 27 4.773 4.773 5.140 -0.367 18954 6657 1 16 . 1 1 27 27 GLN CB C 27 29.511 29.511 33.258 -3.747 18954 6658 1 16 . 1 1 27 27 GLN H H 27 9.330 9.330 8.132 1.198 18954 6659 1 16 . 1 1 28 28 CYS N N 28 124.065 124.065 118.128 5.937 18954 6660 1 16 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.973 0.150 18954 6661 1 16 . 1 1 28 28 CYS CA C 28 53.035 53.035 55.255 -2.220 18954 6662 1 16 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.848 -0.669 18954 6663 1 16 . 1 1 28 28 CYS H H 28 8.585 8.585 8.566 0.019 18954 6664 1 16 . 1 1 29 29 SER N N 29 121.076 121.076 116.391 4.685 18954 6665 1 16 . 1 1 29 29 SER HA H 29 4.160 4.160 4.570 -0.410 18954 6666 1 16 . 1 1 29 29 SER CA C 29 57.073 57.073 58.697 -1.623 18954 6667 1 16 . 1 1 29 29 SER CB C 29 60.725 60.725 62.966 -2.241 18954 6668 1 16 . 1 1 29 29 SER H H 29 8.519 8.519 8.298 0.221 18954 6669 1 16 . 1 1 30 30 ILE N N 30 117.987 117.987 114.159 3.828 18954 6670 1 16 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.294 0.014 18954 6671 1 16 . 1 1 30 30 ILE CA C 30 56.581 56.581 59.164 -2.583 18954 6672 1 16 . 1 1 30 30 ILE CB C 30 39.391 39.391 40.689 -1.298 18954 6673 1 16 . 1 1 30 30 ILE H H 30 7.343 7.343 6.878 0.465 18954 6674 1 16 . 1 1 31 31 GLU N N 31 119.585 119.585 122.596 -3.011 18954 6675 1 16 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.400 -0.722 18954 6676 1 16 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.661 -2.437 18954 6677 1 16 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.074 -2.713 18954 6678 1 16 . 1 1 31 31 GLU H H 31 7.901 7.901 8.420 -0.519 18954 6679 1 16 . 1 1 32 32 MET N N 32 126.504 126.504 127.189 -0.685 18954 6680 1 16 . 1 1 32 32 MET HA H 32 4.297 4.297 4.345 -0.048 18954 6681 1 16 . 1 1 32 32 MET CA C 32 50.919 50.919 53.474 -2.555 18954 6682 1 16 . 1 1 32 32 MET CB C 32 32.696 32.696 32.006 0.690 18954 6683 1 16 . 1 1 32 32 MET H H 32 8.406 8.406 8.751 -0.345 18954 6684 1 16 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.360 -0.169 18954 6685 1 16 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.128 -2.361 18954 6686 1 16 . 1 1 33 33 PRO CB C 33 30.026 30.026 32.038 -2.012 18954 6687 1 16 . 1 1 34 34 ASN N N 34 107.313 107.313 112.804 -5.491 18954 6688 1 16 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.073 -0.257 18954 6689 1 16 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.945 -1.973 18954 6690 1 16 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.842 -2.705 18954 6691 1 16 . 1 1 34 34 ASN H H 34 7.077 7.077 7.768 -0.691 18954 6692 1 16 . 1 1 35 35 ILE N N 35 122.015 122.015 122.115 -0.100 18954 6693 1 16 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.789 0.153 18954 6694 1 16 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.347 -1.572 18954 6695 1 16 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.524 -2.134 18954 6696 1 16 . 1 1 35 35 ILE H H 35 9.109 9.109 8.956 0.153 18954 6697 1 16 . 1 1 36 36 SER N N 36 119.851 119.851 116.016 3.835 18954 6698 1 16 . 1 1 36 36 SER HA H 36 4.366 4.366 4.396 -0.030 18954 6699 1 16 . 1 1 36 36 SER CA C 36 59.274 59.274 61.528 -2.254 18954 6700 1 16 . 1 1 36 36 SER CB C 36 59.818 59.818 62.476 -2.658 18954 6701 1 16 . 1 1 36 36 SER H H 36 8.936 8.936 8.444 0.492 18954 6702 1 16 . 1 1 37 37 TYR N N 37 122.338 122.338 122.243 0.095 18954 6703 1 16 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.174 0.029 18954 6704 1 16 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.676 -3.491 18954 6705 1 16 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.347 -1.954 18954 6706 1 16 . 1 1 37 37 TYR H H 37 7.808 7.808 7.966 -0.158 18954 6707 1 16 . 1 1 38 38 ALA N N 38 120.761 120.761 121.743 -0.982 18954 6708 1 16 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.791 0.080 18954 6709 1 16 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.876 -3.079 18954 6710 1 16 . 1 1 38 38 ALA CB C 38 16.656 16.656 18.197 -1.540 18954 6711 1 16 . 1 1 38 38 ALA H H 38 7.364 7.364 7.905 -0.541 18954 6712 1 16 . 1 1 39 39 TRP N N 39 115.813 115.813 118.895 -3.082 18954 6713 1 16 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.091 -0.015 18954 6714 1 16 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.985 -3.255 18954 6715 1 16 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.238 -1.526 18954 6716 1 16 . 1 1 39 39 TRP H H 39 7.134 7.134 7.748 -0.614 18954 6717 1 16 . 1 1 40 40 LYS N N 40 117.209 117.209 117.606 -0.397 18954 6718 1 16 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.837 0.012 18954 6719 1 16 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.568 -3.584 18954 6720 1 16 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.011 -2.022 18954 6721 1 16 . 1 1 40 40 LYS H H 40 8.091 8.091 8.335 -0.244 18954 6722 1 16 . 1 1 41 41 GLU N N 41 119.521 119.521 119.671 -0.150 18954 6723 1 16 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.900 0.054 18954 6724 1 16 . 1 1 41 41 GLU CA C 41 55.902 55.902 58.978 -3.076 18954 6725 1 16 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.605 -2.683 18954 6726 1 16 . 1 1 41 41 GLU H H 41 6.674 6.674 7.364 -0.690 18954 6727 1 16 . 1 1 42 42 LEU N N 42 117.269 117.269 120.055 -2.786 18954 6728 1 16 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.168 -0.281 18954 6729 1 16 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.102 -2.262 18954 6730 1 16 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.056 -1.218 18954 6731 1 16 . 1 1 42 42 LEU H H 42 7.866 7.866 8.366 -0.500 18954 6732 1 16 . 1 1 43 43 LYS N N 43 117.633 117.633 119.539 -1.906 18954 6733 1 16 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.355 -0.386 18954 6734 1 16 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.435 -3.428 18954 6735 1 16 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.322 -2.230 18954 6736 1 16 . 1 1 43 43 LYS H H 43 8.458 8.458 8.465 -0.007 18954 6737 1 16 . 1 1 44 44 GLU N N 44 120.906 120.906 119.599 1.307 18954 6738 1 16 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.061 -0.218 18954 6739 1 16 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.930 -1.975 18954 6740 1 16 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.360 -2.505 18954 6741 1 16 . 1 1 44 44 GLU H H 44 8.013 8.013 8.105 -0.092 18954 6742 1 16 . 1 1 45 45 GLN N N 45 113.584 113.584 117.502 -3.918 18954 6743 1 16 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.112 0.026 18954 6744 1 16 . 1 1 45 45 GLN CA C 45 58.177 58.177 58.433 -0.256 18954 6745 1 16 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.777 -2.241 18954 6746 1 16 . 1 1 45 45 GLN H H 45 7.665 7.665 8.012 -0.347 18954 6747 1 16 . 1 1 46 46 LEU N N 46 114.594 114.594 115.075 -0.481 18954 6748 1 16 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.249 0.221 18954 6749 1 16 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.006 -3.077 18954 6750 1 16 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.884 -3.248 18954 6751 1 16 . 1 1 46 46 LEU H H 46 8.652 8.652 8.087 0.565 18954 6752 1 16 . 1 1 47 47 GLY N N 47 110.084 110.084 106.043 4.041 18954 6753 1 16 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.238 -2.399 18954 6754 1 16 . 1 1 47 47 GLY H H 47 7.642 7.642 7.377 0.265 18954 6755 1 16 . 1 1 48 48 GLU N N 48 118.535 118.535 121.104 -2.569 18954 6756 1 16 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.063 -0.351 18954 6757 1 16 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.738 -2.316 18954 6758 1 16 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.769 -2.304 18954 6759 1 16 . 1 1 48 48 GLU H H 48 8.348 8.348 8.802 -0.454 18954 6760 1 16 . 1 1 49 49 GLU N N 49 114.460 114.460 116.996 -2.536 18954 6761 1 16 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.319 0.054 18954 6762 1 16 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.431 -2.018 18954 6763 1 16 . 1 1 49 49 GLU CB C 49 25.961 25.961 27.429 -1.468 18954 6764 1 16 . 1 1 49 49 GLU H H 49 8.498 8.498 8.519 -0.021 18954 6765 1 16 . 1 1 50 50 ILE N N 50 121.524 121.524 121.326 0.198 18954 6766 1 16 . 1 1 50 50 ILE HA H 50 4.102 4.102 4.059 0.043 18954 6767 1 16 . 1 1 50 50 ILE CA C 50 57.703 57.703 60.883 -3.179 18954 6768 1 16 . 1 1 50 50 ILE CB C 50 35.737 35.737 39.372 -3.635 18954 6769 1 16 . 1 1 50 50 ILE H H 50 7.617 7.617 7.825 -0.208 18954 6770 1 16 . 1 1 51 51 ASP N N 51 119.881 119.881 121.583 -1.702 18954 6771 1 16 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.568 -0.268 18954 6772 1 16 . 1 1 51 51 ASP CA C 51 53.532 53.532 57.564 -4.032 18954 6773 1 16 . 1 1 51 51 ASP CB C 51 37.198 37.198 40.103 -2.905 18954 6774 1 16 . 1 1 51 51 ASP H H 51 7.926 7.926 7.722 0.204 18954 6775 1 16 . 1 1 52 52 SER N N 52 113.164 113.164 113.054 0.110 18954 6776 1 16 . 1 1 52 52 SER HA H 52 4.403 4.403 4.220 0.183 18954 6777 1 16 . 1 1 52 52 SER CA C 52 56.968 56.968 60.835 -3.867 18954 6778 1 16 . 1 1 52 52 SER CB C 52 61.183 61.183 62.904 -1.720 18954 6779 1 16 . 1 1 52 52 SER H H 52 7.888 7.888 8.650 -0.762 18954 6780 1 16 . 1 1 53 53 LYS N N 53 120.411 120.411 118.250 2.161 18954 6781 1 16 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.349 0.105 18954 6782 1 16 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.556 -1.743 18954 6783 1 16 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.193 -0.834 18954 6784 1 16 . 1 1 53 53 LYS H H 53 7.714 7.714 7.703 0.011 18954 6785 1 16 . 1 1 54 54 VAL N N 54 116.701 116.701 119.221 -2.520 18954 6786 1 16 . 1 1 54 54 VAL HA H 54 4.467 4.467 3.901 0.566 18954 6787 1 16 . 1 1 54 54 VAL CA C 54 59.565 59.565 62.321 -2.756 18954 6788 1 16 . 1 1 54 54 VAL CB C 54 30.833 30.833 32.208 -1.375 18954 6789 1 16 . 1 1 54 54 VAL H H 54 7.041 7.041 7.459 -0.418 18954 6790 1 16 . 1 1 55 55 LYS N N 55 125.891 125.891 125.328 0.563 18954 6791 1 16 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.265 0.483 18954 6792 1 16 . 1 1 55 55 LYS CA C 55 51.602 51.602 56.940 -5.338 18954 6793 1 16 . 1 1 55 55 LYS CB C 55 33.288 33.288 32.776 0.512 18954 6794 1 16 . 1 1 55 55 LYS H H 55 9.138 9.138 8.613 0.525 18954 6795 1 16 . 1 1 56 56 GLY N N 56 109.312 109.312 106.223 3.089 18954 6796 1 16 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.771 -0.055 18954 6797 1 16 . 1 1 56 56 GLY H H 56 8.489 8.489 8.225 0.264 18954 6798 1 16 . 1 1 57 57 MET N N 57 118.391 118.391 117.203 1.188 18954 6799 1 16 . 1 1 57 57 MET HA H 57 4.930 4.930 4.199 0.731 18954 6800 1 16 . 1 1 57 57 MET CA C 57 53.906 53.906 57.168 -3.262 18954 6801 1 16 . 1 1 57 57 MET CB C 57 30.841 30.841 32.966 -2.125 18954 6802 1 16 . 1 1 57 57 MET H H 57 8.039 8.039 7.896 0.143 18954 6803 1 16 . 1 1 58 58 VAL N N 58 124.257 124.257 115.897 8.360 18954 6804 1 16 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.758 -0.309 18954 6805 1 16 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.703 -3.652 18954 6806 1 16 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.540 -0.684 18954 6807 1 16 . 1 1 58 58 VAL H H 58 8.780 8.780 8.766 0.014 18954 6808 1 16 . 1 1 59 59 PHE N N 59 120.512 120.512 121.570 -1.058 18954 6809 1 16 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.599 0.376 18954 6810 1 16 . 1 1 59 59 PHE CA C 59 56.564 56.564 58.950 -2.386 18954 6811 1 16 . 1 1 59 59 PHE CB C 59 37.690 37.690 40.139 -2.450 18954 6812 1 16 . 1 1 59 59 PHE H H 59 8.432 8.432 8.522 -0.090 18954 6813 1 16 . 1 1 60 60 LEU N N 60 120.934 120.934 122.261 -1.327 18954 6814 1 16 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.706 -0.330 18954 6815 1 16 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.514 -2.287 18954 6816 1 16 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.451 -2.926 18954 6817 1 16 . 1 1 60 60 LEU H H 60 8.291 8.291 8.528 -0.237 18954 6818 1 16 . 1 1 61 61 LYS N N 61 122.117 122.117 121.235 0.882 18954 6819 1 16 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.122 -0.141 18954 6820 1 16 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.449 -1.906 18954 6821 1 16 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.865 -3.223 18954 6822 1 16 . 1 1 61 61 LYS H H 61 8.371 8.371 8.370 0.001 18954 6823 1 16 . 1 1 62 62 GLY N N 62 114.590 114.590 113.020 1.570 18954 6824 1 16 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.723 -1.751 18954 6825 1 16 . 1 1 62 62 GLY H H 62 8.870 8.870 8.383 0.487 18954 6826 1 16 . 1 1 63 63 LYS N N 63 111.406 111.406 120.359 -8.953 18954 6827 1 16 . 1 1 63 63 LYS H H 63 8.129 8.129 8.379 -0.250 18954 6828 1 16 . 1 1 64 64 LEU HA H 64 4.466 4.466 5.031 -0.565 18954 6829 1 16 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.197 -1.926 18954 6830 1 16 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.625 -4.169 18954 6831 1 16 . 1 1 65 65 GLY N N 65 105.164 105.164 104.460 0.704 18954 6832 1 16 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.281 -2.689 18954 6833 1 16 . 1 1 65 65 GLY H H 65 7.375 7.375 7.471 -0.096 18954 6834 1 16 . 1 1 66 66 VAL N N 66 111.490 111.490 112.188 -0.698 18954 6835 1 16 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.923 0.468 18954 6836 1 16 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.429 -3.162 18954 6837 1 16 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.314 -1.263 18954 6838 1 16 . 1 1 66 66 VAL H H 66 9.127 9.127 8.371 0.756 18954 6839 1 16 . 1 1 67 67 CYS N N 67 116.847 116.847 117.300 -0.453 18954 6840 1 16 . 1 1 67 67 CYS HA H 67 5.494 5.494 4.965 0.529 18954 6841 1 16 . 1 1 67 67 CYS CA C 67 52.870 52.870 57.321 -4.451 18954 6842 1 16 . 1 1 67 67 CYS CB C 67 28.485 28.485 32.247 -3.762 18954 6843 1 16 . 1 1 67 67 CYS H H 67 8.914 8.914 8.565 0.349 18954 6844 1 16 . 1 1 68 68 PHE N N 68 116.013 116.013 117.520 -1.507 18954 6845 1 16 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.903 -0.263 18954 6846 1 16 . 1 1 68 68 PHE CA C 68 53.636 53.636 55.345 -1.709 18954 6847 1 16 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.888 -3.924 18954 6848 1 16 . 1 1 68 68 PHE H H 68 8.118 8.118 8.503 -0.385 18954 6849 1 16 . 1 1 69 69 ASP N N 69 119.562 119.562 120.103 -0.541 18954 6850 1 16 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.656 0.081 18954 6851 1 16 . 1 1 69 69 ASP CA C 69 50.163 50.163 53.976 -3.813 18954 6852 1 16 . 1 1 69 69 ASP CB C 69 40.589 40.589 43.339 -2.750 18954 6853 1 16 . 1 1 69 69 ASP H H 69 8.999 8.999 8.527 0.472 18954 6854 1 16 . 1 1 70 70 VAL N N 70 114.283 114.283 117.198 -2.915 18954 6855 1 16 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.819 0.515 18954 6856 1 16 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.794 -2.829 18954 6857 1 16 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.346 -2.810 18954 6858 1 16 . 1 1 70 70 VAL H H 70 8.913 8.913 9.001 -0.088 18954 6859 1 16 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.387 0.840 18954 6860 1 16 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.843 -2.006 18954 6861 1 16 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.743 -2.270 18954 6862 1 16 . 1 1 72 72 THR N N 72 121.039 121.039 119.289 1.750 18954 6863 1 16 . 1 1 72 72 THR HA H 72 3.597 3.597 3.744 -0.147 18954 6864 1 16 . 1 1 72 72 THR CA C 72 63.671 63.671 67.068 -3.397 18954 6865 1 16 . 1 1 72 72 THR CB C 72 65.826 65.826 68.354 -2.528 18954 6866 1 16 . 1 1 72 72 THR H H 72 8.235 8.235 8.200 0.035 18954 6867 1 16 . 1 1 73 73 ALA N N 73 120.196 120.196 121.990 -1.794 18954 6868 1 16 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.133 0.010 18954 6869 1 16 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.137 -2.666 18954 6870 1 16 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.118 -2.023 18954 6871 1 16 . 1 1 73 73 ALA H H 73 8.466 8.466 8.358 0.108 18954 6872 1 16 . 1 1 74 74 SER N N 74 112.214 112.214 114.288 -2.074 18954 6873 1 16 . 1 1 74 74 SER HA H 74 4.552 4.552 4.277 0.275 18954 6874 1 16 . 1 1 74 74 SER CA C 74 57.492 57.492 61.034 -3.542 18954 6875 1 16 . 1 1 74 74 SER CB C 74 62.101 62.101 63.502 -1.401 18954 6876 1 16 . 1 1 74 74 SER H H 74 8.019 8.019 7.637 0.382 18954 6877 1 16 . 1 1 75 75 VAL N N 75 121.652 121.652 122.847 -1.195 18954 6878 1 16 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.684 -0.429 18954 6879 1 16 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.247 -1.240 18954 6880 1 16 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.587 -2.237 18954 6881 1 16 . 1 1 75 75 VAL H H 75 7.222 7.222 7.694 -0.472 18954 6882 1 16 . 1 1 76 76 THR N N 76 113.812 113.812 111.502 2.310 18954 6883 1 16 . 1 1 76 76 THR HA H 76 3.963 3.963 4.109 -0.146 18954 6884 1 16 . 1 1 76 76 THR CA C 76 63.804 63.804 64.386 -0.582 18954 6885 1 16 . 1 1 76 76 THR CB C 76 65.567 65.567 68.290 -2.723 18954 6886 1 16 . 1 1 76 76 THR H H 76 8.107 8.107 7.588 0.519 18954 6887 1 16 . 1 1 77 77 GLU N N 77 121.634 121.634 119.464 2.170 18954 6888 1 16 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.504 -0.471 18954 6889 1 16 . 1 1 77 77 GLU CA C 77 56.356 56.356 56.074 0.282 18954 6890 1 16 . 1 1 77 77 GLU CB C 77 27.032 27.032 30.899 -3.867 18954 6891 1 16 . 1 1 77 77 GLU H H 77 7.737 7.737 7.918 -0.181 18954 6892 1 16 . 1 1 78 78 ILE N N 78 119.383 119.383 119.252 0.131 18954 6893 1 16 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.945 -0.334 18954 6894 1 16 . 1 1 78 78 ILE CA C 78 63.089 63.089 63.897 -0.808 18954 6895 1 16 . 1 1 78 78 ILE CB C 78 35.616 35.616 39.319 -3.704 18954 6896 1 16 . 1 1 78 78 ILE H H 78 7.694 7.694 7.818 -0.124 18954 6897 1 16 . 1 1 79 79 GLN N N 79 116.015 116.015 119.846 -3.831 18954 6898 1 16 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.048 -0.120 18954 6899 1 16 . 1 1 79 79 GLN CA C 79 56.668 56.668 59.533 -2.865 18954 6900 1 16 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.364 -1.957 18954 6901 1 16 . 1 1 79 79 GLN H H 79 8.319 8.319 7.741 0.578 18954 6902 1 16 . 1 1 80 80 GLU N N 80 116.824 116.824 117.592 -0.768 18954 6903 1 16 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.109 -0.042 18954 6904 1 16 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.733 -3.142 18954 6905 1 16 . 1 1 80 80 GLU CB C 80 27.429 27.429 28.813 -1.384 18954 6906 1 16 . 1 1 80 80 GLU H H 80 7.884 7.884 8.618 -0.734 18954 6907 1 16 . 1 1 81 81 LYS N N 81 118.113 118.113 115.913 2.200 18954 6908 1 16 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.432 -0.238 18954 6909 1 16 . 1 1 81 81 LYS CA C 81 54.843 54.843 56.018 -1.175 18954 6910 1 16 . 1 1 81 81 LYS CB C 81 32.776 32.776 34.452 -1.676 18954 6911 1 16 . 1 1 81 81 LYS H H 81 7.396 7.396 7.757 -0.361 18954 6912 1 16 . 1 1 82 82 TRP N N 82 119.572 119.572 121.770 -2.198 18954 6913 1 16 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.560 -0.448 18954 6914 1 16 . 1 1 82 82 TRP CA C 82 55.919 55.919 58.366 -2.447 18954 6915 1 16 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.122 -2.669 18954 6916 1 16 . 1 1 82 82 TRP H H 82 7.966 7.966 7.707 0.259 18954 6917 1 16 . 1 1 83 83 HIS N N 83 126.139 126.139 123.366 2.773 18954 6918 1 16 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.706 -0.042 18954 6919 1 16 . 1 1 83 83 HIS CA C 83 51.655 51.655 55.744 -4.089 18954 6920 1 16 . 1 1 83 83 HIS CB C 83 28.017 28.017 32.576 -4.559 18954 6921 1 16 . 1 1 83 83 HIS H H 83 8.566 8.566 8.585 -0.019 18954 6922 1 16 . 1 1 84 84 ASP N N 84 125.751 125.751 119.034 6.717 18954 6923 1 16 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.532 0.467 18954 6924 1 16 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.394 -2.775 18954 6925 1 16 . 1 1 84 84 ASP CB C 84 39.741 39.741 40.932 -1.191 18954 6926 1 16 . 1 1 84 84 ASP H H 84 8.913 8.913 6.951 1.962 18954 6927 1 16 . 1 1 85 85 SER N N 85 116.332 116.332 119.089 -2.757 18954 6928 1 16 . 1 1 85 85 SER HA H 85 4.924 4.924 4.736 0.188 18954 6929 1 16 . 1 1 85 85 SER CA C 85 53.657 53.657 56.816 -3.159 18954 6930 1 16 . 1 1 85 85 SER CB C 85 64.982 64.982 65.667 -0.685 18954 6931 1 16 . 1 1 85 85 SER H H 85 9.621 9.621 8.375 1.246 18954 6932 1 16 . 1 1 86 86 ARG N N 86 118.680 118.680 122.229 -3.549 18954 6933 1 16 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.219 -0.161 18954 6934 1 16 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.821 -2.974 18954 6935 1 16 . 1 1 86 86 ARG CB C 86 27.132 27.132 29.981 -2.849 18954 6936 1 16 . 1 1 86 86 ARG H H 86 8.695 8.695 8.939 -0.244 18954 6937 1 16 . 1 1 87 87 ARG N N 87 117.323 117.323 117.067 0.256 18954 6938 1 16 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.431 -0.155 18954 6939 1 16 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.684 -1.695 18954 6940 1 16 . 1 1 87 87 ARG CB C 87 29.582 29.582 31.904 -2.322 18954 6941 1 16 . 1 1 87 87 ARG H H 87 7.710 7.710 8.374 -0.664 18954 6942 1 16 . 1 1 88 88 TRP N N 88 115.976 115.976 119.066 -3.090 18954 6943 1 16 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.150 0.727 18954 6944 1 16 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.649 -4.238 18954 6945 1 16 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.683 -0.573 18954 6946 1 16 . 1 1 88 88 TRP H H 88 7.374 7.374 7.871 -0.497 18954 6947 1 16 . 1 1 89 89 GLN N N 89 118.426 118.426 119.045 -0.619 18954 6948 1 16 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.107 0.420 18954 6949 1 16 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.968 -2.304 18954 6950 1 16 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.282 -2.356 18954 6951 1 16 . 1 1 89 89 GLN H H 89 8.803 8.803 8.812 -0.009 18954 6952 1 16 . 1 1 90 90 LEU N N 90 127.680 127.680 121.428 6.252 18954 6953 1 16 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.629 0.600 18954 6954 1 16 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.076 -2.230 18954 6955 1 16 . 1 1 90 90 LEU CB C 90 39.965 39.965 44.009 -4.044 18954 6956 1 16 . 1 1 90 90 LEU H H 90 8.518 8.518 8.301 0.217 18954 6957 1 16 . 1 1 91 91 SER N N 91 121.513 121.513 114.969 6.544 18954 6958 1 16 . 1 1 91 91 SER HA H 91 4.639 4.639 4.592 0.047 18954 6959 1 16 . 1 1 91 91 SER CA C 91 54.241 54.241 57.902 -3.661 18954 6960 1 16 . 1 1 91 91 SER CB C 91 63.274 63.274 64.480 -1.206 18954 6961 1 16 . 1 1 91 91 SER H H 91 8.979 8.979 8.150 0.829 18954 6962 1 16 . 1 1 92 92 VAL N N 92 120.290 120.290 120.096 0.194 18954 6963 1 16 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.130 -0.014 18954 6964 1 16 . 1 1 92 92 VAL CA C 92 59.889 59.889 60.457 -0.568 18954 6965 1 16 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.291 -5.066 18954 6966 1 16 . 1 1 92 92 VAL H H 92 8.277 8.277 8.240 0.037 18954 6967 1 16 . 1 1 93 93 ALA N N 93 130.076 130.076 127.971 2.105 18954 6968 1 16 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.310 -0.131 18954 6969 1 16 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.800 -2.607 18954 6970 1 16 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.070 -2.450 18954 6971 1 16 . 1 1 93 93 ALA H H 93 8.521 8.521 8.305 0.216 18954 6972 1 16 . 1 1 94 94 THR N N 94 113.705 113.705 114.155 -0.450 18954 6973 1 16 . 1 1 94 94 THR HA H 94 4.190 4.190 4.370 -0.180 18954 6974 1 16 . 1 1 94 94 THR CA C 94 65.409 65.409 63.508 1.901 18954 6975 1 16 . 1 1 94 94 THR CB C 94 67.702 67.702 69.081 -1.379 18954 6976 1 16 . 1 1 94 94 THR H H 94 8.099 8.099 8.505 -0.406 18954 6977 1 17 . 1 1 3 3 ILE N N 3 123.622 123.622 127.761 -4.139 18954 6978 1 17 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.547 -0.432 18954 6979 1 17 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.619 -3.317 18954 6980 1 17 . 1 1 3 3 ILE CB C 3 36.212 36.212 37.188 -0.976 18954 6981 1 17 . 1 1 3 3 ILE H H 3 8.271 8.271 8.739 -0.468 18954 6982 1 17 . 1 1 4 4 SER N N 4 120.605 120.605 118.324 2.281 18954 6983 1 17 . 1 1 4 4 SER HA H 4 4.368 4.368 4.754 -0.386 18954 6984 1 17 . 1 1 4 4 SER CA C 4 55.796 55.796 58.080 -2.284 18954 6985 1 17 . 1 1 4 4 SER CB C 4 60.945 60.945 65.635 -4.690 18954 6986 1 17 . 1 1 4 4 SER H H 4 8.425 8.425 8.156 0.269 18954 6987 1 17 . 1 1 5 5 GLY N N 5 111.455 111.455 109.195 2.260 18954 6988 1 17 . 1 1 5 5 GLY CA C 5 42.781 42.781 46.085 -3.304 18954 6989 1 17 . 1 1 5 5 GLY H H 5 8.406 8.406 8.599 -0.193 18954 6990 1 17 . 1 1 6 6 ALA N N 6 123.660 123.660 122.677 0.983 18954 6991 1 17 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.501 -0.182 18954 6992 1 17 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.472 -2.578 18954 6993 1 17 . 1 1 6 6 ALA CB C 6 16.928 16.928 18.914 -1.986 18954 6994 1 17 . 1 1 6 6 ALA H H 6 8.103 8.103 8.219 -0.116 18954 6995 1 17 . 1 1 7 7 THR N N 7 113.014 113.014 111.929 1.085 18954 6996 1 17 . 1 1 7 7 THR HA H 7 4.309 4.309 4.618 -0.309 18954 6997 1 17 . 1 1 7 7 THR CA C 7 58.886 58.886 61.047 -2.161 18954 6998 1 17 . 1 1 7 7 THR CB C 7 67.461 67.461 70.154 -2.693 18954 6999 1 17 . 1 1 7 7 THR H H 7 8.108 8.108 7.543 0.565 18954 7000 1 17 . 1 1 8 8 SER N N 8 118.032 118.032 116.189 1.843 18954 7001 1 17 . 1 1 8 8 SER HA H 8 4.434 4.434 4.535 -0.101 18954 7002 1 17 . 1 1 8 8 SER CA C 8 55.537 55.537 58.291 -2.755 18954 7003 1 17 . 1 1 8 8 SER CB C 8 61.305 61.305 63.638 -2.333 18954 7004 1 17 . 1 1 8 8 SER H H 8 8.222 8.222 8.299 -0.077 18954 7005 1 17 . 1 1 9 9 VAL N N 9 121.129 121.129 120.471 0.658 18954 7006 1 17 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.433 -0.411 18954 7007 1 17 . 1 1 9 9 VAL CA C 9 60.014 60.014 61.753 -1.739 18954 7008 1 17 . 1 1 9 9 VAL CB C 9 30.139 30.139 33.265 -3.126 18954 7009 1 17 . 1 1 9 9 VAL H H 9 8.098 8.098 8.169 -0.071 18954 7010 1 17 . 1 1 10 10 ASP N N 10 123.102 123.102 123.987 -0.885 18954 7011 1 17 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.754 -0.251 18954 7012 1 17 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.384 -2.749 18954 7013 1 17 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.242 -2.571 18954 7014 1 17 . 1 1 10 10 ASP H H 10 8.242 8.242 8.693 -0.451 18954 7015 1 17 . 1 1 11 11 GLN N N 11 121.449 121.449 119.172 2.277 18954 7016 1 17 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.565 -0.400 18954 7017 1 17 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.263 -1.490 18954 7018 1 17 . 1 1 11 11 GLN CB C 11 26.558 26.558 31.614 -5.056 18954 7019 1 17 . 1 1 11 11 GLN H H 11 8.247 8.247 7.972 0.275 18954 7020 1 17 . 1 1 12 12 ARG N N 12 121.029 121.029 121.504 -0.475 18954 7021 1 17 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.316 -0.089 18954 7022 1 17 . 1 1 12 12 ARG CA C 12 59.634 59.634 57.468 2.166 18954 7023 1 17 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.155 -2.871 18954 7024 1 17 . 1 1 12 12 ARG H H 12 8.215 8.215 8.720 -0.505 18954 7025 1 17 . 1 1 13 13 SER N N 13 121.168 121.168 110.364 10.804 18954 7026 1 17 . 1 1 13 13 SER HA H 13 4.327 4.327 4.607 -0.280 18954 7027 1 17 . 1 1 13 13 SER CA C 13 56.317 56.317 56.926 -0.609 18954 7028 1 17 . 1 1 13 13 SER CB C 13 61.153 61.153 65.771 -4.618 18954 7029 1 17 . 1 1 13 13 SER H H 13 8.483 8.483 7.849 0.634 18954 7030 1 17 . 1 1 14 14 LEU N N 14 115.731 115.731 123.516 -7.785 18954 7031 1 17 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.267 -0.020 18954 7032 1 17 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.193 -3.320 18954 7033 1 17 . 1 1 14 14 LEU CB C 14 39.689 39.689 40.725 -1.036 18954 7034 1 17 . 1 1 14 14 LEU H H 14 8.124 8.124 8.683 -0.559 18954 7035 1 17 . 1 1 15 15 ILE N N 15 119.991 119.991 113.698 6.293 18954 7036 1 17 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.325 -0.328 18954 7037 1 17 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.567 -1.727 18954 7038 1 17 . 1 1 15 15 ILE CB C 15 36.205 36.205 38.071 -1.866 18954 7039 1 17 . 1 1 15 15 ILE H H 15 7.859 7.859 7.510 0.349 18954 7040 1 17 . 1 1 16 16 ASN N N 16 120.780 120.780 122.356 -1.576 18954 7041 1 17 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.516 0.197 18954 7042 1 17 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.977 -2.524 18954 7043 1 17 . 1 1 16 16 ASN H H 16 8.014 8.014 8.636 -0.622 18954 7044 1 17 . 1 1 17 17 SER N N 17 115.640 115.640 112.662 2.978 18954 7045 1 17 . 1 1 17 17 SER HA H 17 4.300 4.300 4.529 -0.229 18954 7046 1 17 . 1 1 17 17 SER CA C 17 56.001 56.001 57.952 -1.951 18954 7047 1 17 . 1 1 17 17 SER CB C 17 60.894 60.894 64.033 -3.139 18954 7048 1 17 . 1 1 17 17 SER H H 17 8.121 8.121 8.307 -0.186 18954 7049 1 17 . 1 1 18 18 ASN N N 18 121.876 121.876 118.701 3.175 18954 7050 1 17 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.916 -0.185 18954 7051 1 17 . 1 1 18 18 ASN CB C 18 36.293 36.293 40.908 -4.615 18954 7052 1 17 . 1 1 18 18 ASN H H 18 8.376 8.376 7.948 0.428 18954 7053 1 17 . 1 1 19 19 VAL N N 19 120.480 120.480 123.436 -2.956 18954 7054 1 17 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.275 -0.246 18954 7055 1 17 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.288 -0.940 18954 7056 1 17 . 1 1 19 19 VAL CB C 19 29.903 29.903 32.935 -3.032 18954 7057 1 17 . 1 1 19 19 VAL H H 19 8.022 8.022 8.464 -0.442 18954 7058 1 17 . 1 1 20 20 GLY N N 20 112.265 112.265 110.541 1.724 18954 7059 1 17 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.327 -2.629 18954 7060 1 17 . 1 1 20 20 GLY H H 20 8.567 8.567 7.947 0.620 18954 7061 1 17 . 1 1 21 21 PHE N N 21 119.701 119.701 119.737 -0.036 18954 7062 1 17 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.232 -0.099 18954 7063 1 17 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.153 -2.795 18954 7064 1 17 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.257 -2.363 18954 7065 1 17 . 1 1 21 21 PHE H H 21 7.917 7.917 7.962 -0.045 18954 7066 1 17 . 1 1 22 22 VAL N N 22 120.733 120.733 120.117 0.616 18954 7067 1 17 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.464 -0.203 18954 7068 1 17 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.611 -2.639 18954 7069 1 17 . 1 1 22 22 VAL CB C 22 33.078 33.078 36.208 -3.130 18954 7070 1 17 . 1 1 22 22 VAL H H 22 9.221 9.221 9.179 0.042 18954 7071 1 17 . 1 1 23 23 THR N N 23 123.388 123.388 121.501 1.887 18954 7072 1 17 . 1 1 23 23 THR HA H 23 4.967 4.967 5.010 -0.043 18954 7073 1 17 . 1 1 23 23 THR CA C 23 59.731 59.731 62.713 -2.982 18954 7074 1 17 . 1 1 23 23 THR CB C 23 66.715 66.715 70.043 -3.328 18954 7075 1 17 . 1 1 23 23 THR H H 23 8.403 8.403 8.591 -0.188 18954 7076 1 17 . 1 1 24 24 MET N N 24 125.957 125.957 121.210 4.747 18954 7077 1 17 . 1 1 24 24 MET HA H 24 4.702 4.702 4.943 -0.241 18954 7078 1 17 . 1 1 24 24 MET CA C 24 51.056 51.056 54.021 -2.965 18954 7079 1 17 . 1 1 24 24 MET CB C 24 32.115 32.115 36.535 -4.420 18954 7080 1 17 . 1 1 24 24 MET H H 24 9.289 9.289 8.753 0.536 18954 7081 1 17 . 1 1 25 25 ILE N N 25 117.652 117.652 119.192 -1.540 18954 7082 1 17 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.289 0.110 18954 7083 1 17 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.087 -2.328 18954 7084 1 17 . 1 1 25 25 ILE CB C 25 37.870 37.870 39.736 -1.865 18954 7085 1 17 . 1 1 25 25 ILE H H 25 8.572 8.572 7.890 0.682 18954 7086 1 17 . 1 1 26 26 LEU N N 26 130.281 130.281 127.329 2.952 18954 7087 1 17 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.603 0.611 18954 7088 1 17 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.911 -3.800 18954 7089 1 17 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.351 -2.988 18954 7090 1 17 . 1 1 26 26 LEU H H 26 8.901 8.901 8.859 0.042 18954 7091 1 17 . 1 1 27 27 GLN N N 27 125.400 125.400 122.297 3.103 18954 7092 1 17 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.935 -0.162 18954 7093 1 17 . 1 1 27 27 GLN CB C 27 29.511 29.511 32.480 -2.969 18954 7094 1 17 . 1 1 27 27 GLN H H 27 9.330 9.330 8.204 1.126 18954 7095 1 17 . 1 1 28 28 CYS N N 28 124.065 124.065 120.539 3.526 18954 7096 1 17 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.963 0.160 18954 7097 1 17 . 1 1 28 28 CYS CA C 28 53.035 53.035 55.363 -2.328 18954 7098 1 17 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.738 -0.559 18954 7099 1 17 . 1 1 28 28 CYS H H 28 8.585 8.585 8.033 0.552 18954 7100 1 17 . 1 1 29 29 SER N N 29 121.076 121.076 116.260 4.816 18954 7101 1 17 . 1 1 29 29 SER HA H 29 4.160 4.160 4.383 -0.223 18954 7102 1 17 . 1 1 29 29 SER CA C 29 57.073 57.073 59.918 -2.845 18954 7103 1 17 . 1 1 29 29 SER CB C 29 60.725 60.725 63.592 -2.867 18954 7104 1 17 . 1 1 29 29 SER H H 29 8.519 8.519 8.229 0.290 18954 7105 1 17 . 1 1 30 30 ILE N N 30 117.987 117.987 114.729 3.258 18954 7106 1 17 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.371 -0.063 18954 7107 1 17 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.678 -2.097 18954 7108 1 17 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.060 -1.669 18954 7109 1 17 . 1 1 30 30 ILE H H 30 7.343 7.343 6.968 0.375 18954 7110 1 17 . 1 1 31 31 GLU N N 31 119.585 119.585 120.933 -1.348 18954 7111 1 17 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.331 -0.653 18954 7112 1 17 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.694 -2.470 18954 7113 1 17 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.467 -3.106 18954 7114 1 17 . 1 1 31 31 GLU H H 31 7.901 7.901 8.420 -0.519 18954 7115 1 17 . 1 1 32 32 MET N N 32 126.504 126.504 123.267 3.237 18954 7116 1 17 . 1 1 32 32 MET HA H 32 4.297 4.297 4.579 -0.282 18954 7117 1 17 . 1 1 32 32 MET CA C 32 50.919 50.919 52.444 -1.524 18954 7118 1 17 . 1 1 32 32 MET CB C 32 32.696 32.696 32.884 -0.188 18954 7119 1 17 . 1 1 32 32 MET H H 32 8.406 8.406 8.335 0.071 18954 7120 1 17 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.382 -0.191 18954 7121 1 17 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.028 -2.261 18954 7122 1 17 . 1 1 33 33 PRO CB C 33 30.026 30.026 32.193 -2.167 18954 7123 1 17 . 1 1 34 34 ASN N N 34 107.313 107.313 114.917 -7.604 18954 7124 1 17 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.028 -0.212 18954 7125 1 17 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.957 -1.985 18954 7126 1 17 . 1 1 34 34 ASN CB C 34 38.137 38.137 41.136 -2.999 18954 7127 1 17 . 1 1 34 34 ASN H H 34 7.077 7.077 7.985 -0.908 18954 7128 1 17 . 1 1 35 35 ILE N N 35 122.015 122.015 123.965 -1.950 18954 7129 1 17 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.782 0.161 18954 7130 1 17 . 1 1 35 35 ILE CA C 35 61.775 61.775 64.151 -2.376 18954 7131 1 17 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.617 -2.227 18954 7132 1 17 . 1 1 35 35 ILE H H 35 9.109 9.109 9.253 -0.144 18954 7133 1 17 . 1 1 36 36 SER N N 36 119.851 119.851 115.594 4.257 18954 7134 1 17 . 1 1 36 36 SER HA H 36 4.366 4.366 4.422 -0.056 18954 7135 1 17 . 1 1 36 36 SER CA C 36 59.274 59.274 61.255 -1.982 18954 7136 1 17 . 1 1 36 36 SER CB C 36 59.818 59.818 62.257 -2.439 18954 7137 1 17 . 1 1 36 36 SER H H 36 8.936 8.936 8.360 0.576 18954 7138 1 17 . 1 1 37 37 TYR N N 37 122.338 122.338 121.375 0.963 18954 7139 1 17 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.151 0.052 18954 7140 1 17 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.667 -3.482 18954 7141 1 17 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.339 -1.946 18954 7142 1 17 . 1 1 37 37 TYR H H 37 7.808 7.808 8.341 -0.533 18954 7143 1 17 . 1 1 38 38 ALA N N 38 120.761 120.761 121.428 -0.667 18954 7144 1 17 . 1 1 38 38 ALA HA H 38 3.871 3.871 4.048 -0.177 18954 7145 1 17 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.958 -3.161 18954 7146 1 17 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.861 -1.205 18954 7147 1 17 . 1 1 38 38 ALA H H 38 7.364 7.364 7.841 -0.477 18954 7148 1 17 . 1 1 39 39 TRP N N 39 115.813 115.813 118.578 -2.765 18954 7149 1 17 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.182 -0.106 18954 7150 1 17 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.228 -2.498 18954 7151 1 17 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.340 -1.627 18954 7152 1 17 . 1 1 39 39 TRP H H 39 7.134 7.134 7.706 -0.572 18954 7153 1 17 . 1 1 40 40 LYS N N 40 117.209 117.209 119.318 -2.109 18954 7154 1 17 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.914 -0.065 18954 7155 1 17 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.550 -3.566 18954 7156 1 17 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.080 -2.091 18954 7157 1 17 . 1 1 40 40 LYS H H 40 8.091 8.091 8.177 -0.086 18954 7158 1 17 . 1 1 41 41 GLU N N 41 119.521 119.521 119.344 0.177 18954 7159 1 17 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.868 0.086 18954 7160 1 17 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.172 -3.270 18954 7161 1 17 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.723 -2.801 18954 7162 1 17 . 1 1 41 41 GLU H H 41 6.674 6.674 7.368 -0.694 18954 7163 1 17 . 1 1 42 42 LEU N N 42 117.269 117.269 120.153 -2.884 18954 7164 1 17 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.179 -0.292 18954 7165 1 17 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.229 -2.389 18954 7166 1 17 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.652 -1.814 18954 7167 1 17 . 1 1 42 42 LEU H H 42 7.866 7.866 8.033 -0.167 18954 7168 1 17 . 1 1 43 43 LYS N N 43 117.633 117.633 119.487 -1.854 18954 7169 1 17 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.286 -0.317 18954 7170 1 17 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.605 -3.598 18954 7171 1 17 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.289 -2.197 18954 7172 1 17 . 1 1 43 43 LYS H H 43 8.458 8.458 8.301 0.157 18954 7173 1 17 . 1 1 44 44 GLU N N 44 120.906 120.906 118.837 2.069 18954 7174 1 17 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.149 -0.306 18954 7175 1 17 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.443 -1.488 18954 7176 1 17 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.646 -2.791 18954 7177 1 17 . 1 1 44 44 GLU H H 44 8.013 8.013 7.672 0.341 18954 7178 1 17 . 1 1 45 45 GLN N N 45 113.584 113.584 117.245 -3.661 18954 7179 1 17 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.190 -0.052 18954 7180 1 17 . 1 1 45 45 GLN CA C 45 58.177 58.177 58.088 0.089 18954 7181 1 17 . 1 1 45 45 GLN CB C 45 27.536 27.536 30.140 -2.604 18954 7182 1 17 . 1 1 45 45 GLN H H 45 7.665 7.665 8.135 -0.470 18954 7183 1 17 . 1 1 46 46 LEU N N 46 114.594 114.594 114.476 0.118 18954 7184 1 17 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.507 -0.037 18954 7185 1 17 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.566 -2.637 18954 7186 1 17 . 1 1 46 46 LEU CB C 46 39.636 39.636 43.247 -3.611 18954 7187 1 17 . 1 1 46 46 LEU H H 46 8.652 8.652 8.039 0.613 18954 7188 1 17 . 1 1 47 47 GLY N N 47 110.084 110.084 107.161 2.923 18954 7189 1 17 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.330 -2.491 18954 7190 1 17 . 1 1 47 47 GLY H H 47 7.642 7.642 7.474 0.168 18954 7191 1 17 . 1 1 48 48 GLU N N 48 118.535 118.535 119.843 -1.308 18954 7192 1 17 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.125 -0.413 18954 7193 1 17 . 1 1 48 48 GLU CA C 48 56.422 56.422 57.836 -1.414 18954 7194 1 17 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.839 -2.374 18954 7195 1 17 . 1 1 48 48 GLU H H 48 8.348 8.348 8.653 -0.305 18954 7196 1 17 . 1 1 49 49 GLU N N 49 114.460 114.460 116.998 -2.538 18954 7197 1 17 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.487 -0.114 18954 7198 1 17 . 1 1 49 49 GLU CA C 49 54.413 54.413 55.670 -1.257 18954 7199 1 17 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.192 -2.231 18954 7200 1 17 . 1 1 49 49 GLU H H 49 8.498 8.498 8.326 0.172 18954 7201 1 17 . 1 1 50 50 ILE N N 50 121.524 121.524 119.715 1.809 18954 7202 1 17 . 1 1 50 50 ILE HA H 50 4.102 4.102 4.280 -0.178 18954 7203 1 17 . 1 1 50 50 ILE CA C 50 57.703 57.703 60.812 -3.109 18954 7204 1 17 . 1 1 50 50 ILE CB C 50 35.737 35.737 39.586 -3.849 18954 7205 1 17 . 1 1 50 50 ILE H H 50 7.617 7.617 7.825 -0.208 18954 7206 1 17 . 1 1 51 51 ASP N N 51 119.881 119.881 120.622 -0.741 18954 7207 1 17 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.104 0.196 18954 7208 1 17 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.244 -2.712 18954 7209 1 17 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.810 -2.612 18954 7210 1 17 . 1 1 51 51 ASP H H 51 7.926 7.926 8.741 -0.815 18954 7211 1 17 . 1 1 52 52 SER N N 52 113.164 113.164 114.221 -1.057 18954 7212 1 17 . 1 1 52 52 SER HA H 52 4.403 4.403 4.293 0.110 18954 7213 1 17 . 1 1 52 52 SER CA C 52 56.968 56.968 60.706 -3.738 18954 7214 1 17 . 1 1 52 52 SER CB C 52 61.183 61.183 63.604 -2.421 18954 7215 1 17 . 1 1 52 52 SER H H 52 7.888 7.888 8.102 -0.214 18954 7216 1 17 . 1 1 53 53 LYS N N 53 120.411 120.411 119.922 0.489 18954 7217 1 17 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.335 0.119 18954 7218 1 17 . 1 1 53 53 LYS CA C 53 53.813 53.813 56.691 -2.878 18954 7219 1 17 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.915 -0.556 18954 7220 1 17 . 1 1 53 53 LYS H H 53 7.714 7.714 7.630 0.084 18954 7221 1 17 . 1 1 54 54 VAL N N 54 116.701 116.701 118.900 -2.199 18954 7222 1 17 . 1 1 54 54 VAL HA H 54 4.467 4.467 3.883 0.584 18954 7223 1 17 . 1 1 54 54 VAL CA C 54 59.565 59.565 63.222 -3.657 18954 7224 1 17 . 1 1 54 54 VAL CB C 54 30.833 30.833 31.946 -1.113 18954 7225 1 17 . 1 1 54 54 VAL H H 54 7.041 7.041 7.445 -0.404 18954 7226 1 17 . 1 1 55 55 LYS N N 55 125.891 125.891 122.815 3.076 18954 7227 1 17 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.527 0.221 18954 7228 1 17 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.494 -2.892 18954 7229 1 17 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.425 -0.137 18954 7230 1 17 . 1 1 55 55 LYS H H 55 9.138 9.138 8.163 0.975 18954 7231 1 17 . 1 1 56 56 GLY N N 56 109.312 109.312 109.268 0.044 18954 7232 1 17 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.613 -0.897 18954 7233 1 17 . 1 1 56 56 GLY H H 56 8.489 8.489 8.466 0.023 18954 7234 1 17 . 1 1 57 57 MET N N 57 118.391 118.391 125.594 -7.203 18954 7235 1 17 . 1 1 57 57 MET HA H 57 4.930 4.930 4.586 0.344 18954 7236 1 17 . 1 1 57 57 MET CA C 57 53.906 53.906 56.486 -2.580 18954 7237 1 17 . 1 1 57 57 MET CB C 57 30.841 30.841 33.764 -2.923 18954 7238 1 17 . 1 1 57 57 MET H H 57 8.039 8.039 8.044 -0.005 18954 7239 1 17 . 1 1 58 58 VAL N N 58 124.257 124.257 120.721 3.536 18954 7240 1 17 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.718 -0.269 18954 7241 1 17 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.330 -3.280 18954 7242 1 17 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.633 -0.777 18954 7243 1 17 . 1 1 58 58 VAL H H 58 8.780 8.780 8.857 -0.077 18954 7244 1 17 . 1 1 59 59 PHE N N 59 120.512 120.512 122.672 -2.160 18954 7245 1 17 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.481 0.494 18954 7246 1 17 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.752 -3.188 18954 7247 1 17 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.941 -2.251 18954 7248 1 17 . 1 1 59 59 PHE H H 59 8.432 8.432 8.542 -0.110 18954 7249 1 17 . 1 1 60 60 LEU N N 60 120.934 120.934 121.138 -0.204 18954 7250 1 17 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.638 -0.262 18954 7251 1 17 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.575 -2.348 18954 7252 1 17 . 1 1 60 60 LEU CB C 60 40.525 40.525 44.195 -3.670 18954 7253 1 17 . 1 1 60 60 LEU H H 60 8.291 8.291 8.471 -0.180 18954 7254 1 17 . 1 1 61 61 LYS N N 61 122.117 122.117 122.869 -0.752 18954 7255 1 17 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.201 -0.220 18954 7256 1 17 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.620 -2.077 18954 7257 1 17 . 1 1 61 61 LYS CB C 61 29.642 29.642 31.935 -2.293 18954 7258 1 17 . 1 1 61 61 LYS H H 61 8.371 8.371 8.752 -0.381 18954 7259 1 17 . 1 1 62 62 GLY N N 62 114.590 114.590 111.938 2.652 18954 7260 1 17 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.585 -1.613 18954 7261 1 17 . 1 1 62 62 GLY H H 62 8.870 8.870 8.563 0.307 18954 7262 1 17 . 1 1 63 63 LYS N N 63 111.406 111.406 117.378 -5.972 18954 7263 1 17 . 1 1 63 63 LYS H H 63 8.129 8.129 7.909 0.220 18954 7264 1 17 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.800 -0.334 18954 7265 1 17 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.590 -2.319 18954 7266 1 17 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.650 -4.194 18954 7267 1 17 . 1 1 65 65 GLY N N 65 105.164 105.164 103.894 1.270 18954 7268 1 17 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.186 -2.594 18954 7269 1 17 . 1 1 65 65 GLY H H 65 7.375 7.375 7.339 0.036 18954 7270 1 17 . 1 1 66 66 VAL N N 66 111.490 111.490 117.654 -6.164 18954 7271 1 17 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.747 0.644 18954 7272 1 17 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.549 -3.282 18954 7273 1 17 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.482 -1.431 18954 7274 1 17 . 1 1 66 66 VAL H H 66 9.127 9.127 8.796 0.331 18954 7275 1 17 . 1 1 67 67 CYS N N 67 116.847 116.847 117.091 -0.244 18954 7276 1 17 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.148 0.346 18954 7277 1 17 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.674 -2.804 18954 7278 1 17 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.669 -3.184 18954 7279 1 17 . 1 1 67 67 CYS H H 67 8.914 8.914 9.029 -0.115 18954 7280 1 17 . 1 1 68 68 PHE N N 68 116.013 116.013 114.538 1.475 18954 7281 1 17 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.931 -0.291 18954 7282 1 17 . 1 1 68 68 PHE CA C 68 53.636 53.636 57.034 -3.398 18954 7283 1 17 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.522 -3.558 18954 7284 1 17 . 1 1 68 68 PHE H H 68 8.118 8.118 7.985 0.133 18954 7285 1 17 . 1 1 69 69 ASP N N 69 119.562 119.562 121.304 -1.742 18954 7286 1 17 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.008 0.729 18954 7287 1 17 . 1 1 69 69 ASP CA C 69 50.163 50.163 55.667 -5.504 18954 7288 1 17 . 1 1 69 69 ASP CB C 69 40.589 40.589 41.537 -0.948 18954 7289 1 17 . 1 1 69 69 ASP H H 69 8.999 8.999 8.919 0.080 18954 7290 1 17 . 1 1 70 70 VAL N N 70 114.283 114.283 116.533 -2.250 18954 7291 1 17 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.895 0.439 18954 7292 1 17 . 1 1 70 70 VAL CA C 70 54.964 54.964 58.205 -3.241 18954 7293 1 17 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.730 -3.194 18954 7294 1 17 . 1 1 70 70 VAL H H 70 8.913 8.913 9.256 -0.343 18954 7295 1 17 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.599 0.628 18954 7296 1 17 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.233 -2.395 18954 7297 1 17 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.603 -2.130 18954 7298 1 17 . 1 1 72 72 THR N N 72 121.039 121.039 120.927 0.112 18954 7299 1 17 . 1 1 72 72 THR HA H 72 3.597 3.597 3.789 -0.192 18954 7300 1 17 . 1 1 72 72 THR CA C 72 63.671 63.671 67.069 -3.398 18954 7301 1 17 . 1 1 72 72 THR CB C 72 65.826 65.826 68.330 -2.504 18954 7302 1 17 . 1 1 72 72 THR H H 72 8.235 8.235 8.414 -0.179 18954 7303 1 17 . 1 1 73 73 ALA N N 73 120.196 120.196 123.442 -3.246 18954 7304 1 17 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.199 -0.056 18954 7305 1 17 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.863 -3.392 18954 7306 1 17 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.152 -2.057 18954 7307 1 17 . 1 1 73 73 ALA H H 73 8.466 8.466 7.822 0.644 18954 7308 1 17 . 1 1 74 74 SER N N 74 112.214 112.214 112.855 -0.641 18954 7309 1 17 . 1 1 74 74 SER HA H 74 4.552 4.552 4.534 0.018 18954 7310 1 17 . 1 1 74 74 SER CA C 74 57.492 57.492 59.505 -2.014 18954 7311 1 17 . 1 1 74 74 SER CB C 74 62.101 62.101 63.419 -1.318 18954 7312 1 17 . 1 1 74 74 SER H H 74 8.019 8.019 7.892 0.127 18954 7313 1 17 . 1 1 75 75 VAL N N 75 121.652 121.652 123.591 -1.939 18954 7314 1 17 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.732 -0.477 18954 7315 1 17 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.552 -1.545 18954 7316 1 17 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.032 -1.682 18954 7317 1 17 . 1 1 75 75 VAL H H 75 7.222 7.222 8.008 -0.786 18954 7318 1 17 . 1 1 76 76 THR N N 76 113.812 113.812 116.677 -2.865 18954 7319 1 17 . 1 1 76 76 THR HA H 76 3.963 3.963 3.923 0.040 18954 7320 1 17 . 1 1 76 76 THR CA C 76 63.804 63.804 67.553 -3.749 18954 7321 1 17 . 1 1 76 76 THR CB C 76 65.567 65.567 68.589 -3.022 18954 7322 1 17 . 1 1 76 76 THR H H 76 8.107 8.107 7.664 0.443 18954 7323 1 17 . 1 1 77 77 GLU N N 77 121.634 121.634 121.967 -0.333 18954 7324 1 17 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.061 -0.028 18954 7325 1 17 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.568 -3.212 18954 7326 1 17 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.312 -2.280 18954 7327 1 17 . 1 1 77 77 GLU H H 77 7.737 7.737 8.004 -0.267 18954 7328 1 17 . 1 1 78 78 ILE N N 78 119.383 119.383 120.221 -0.838 18954 7329 1 17 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.691 -0.080 18954 7330 1 17 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.791 -2.702 18954 7331 1 17 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.990 -2.374 18954 7332 1 17 . 1 1 78 78 ILE H H 78 7.694 7.694 8.517 -0.823 18954 7333 1 17 . 1 1 79 79 GLN N N 79 116.015 116.015 117.121 -1.106 18954 7334 1 17 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.046 -0.118 18954 7335 1 17 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.419 -1.751 18954 7336 1 17 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.568 -2.161 18954 7337 1 17 . 1 1 79 79 GLN H H 79 8.319 8.319 7.757 0.562 18954 7338 1 17 . 1 1 80 80 GLU N N 80 116.824 116.824 119.236 -2.412 18954 7339 1 17 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.141 -0.074 18954 7340 1 17 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.802 -3.211 18954 7341 1 17 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.798 -2.369 18954 7342 1 17 . 1 1 80 80 GLU H H 80 7.884 7.884 7.876 0.008 18954 7343 1 17 . 1 1 81 81 LYS N N 81 118.113 118.113 116.502 1.611 18954 7344 1 17 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.262 -0.068 18954 7345 1 17 . 1 1 81 81 LYS CA C 81 54.843 54.843 57.313 -2.470 18954 7346 1 17 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.179 -0.403 18954 7347 1 17 . 1 1 81 81 LYS H H 81 7.396 7.396 8.111 -0.715 18954 7348 1 17 . 1 1 82 82 TRP N N 82 119.572 119.572 121.561 -1.989 18954 7349 1 17 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.599 -0.487 18954 7350 1 17 . 1 1 82 82 TRP CA C 82 55.919 55.919 58.609 -2.690 18954 7351 1 17 . 1 1 82 82 TRP CB C 82 27.453 27.453 29.798 -2.345 18954 7352 1 17 . 1 1 82 82 TRP H H 82 7.966 7.966 8.090 -0.124 18954 7353 1 17 . 1 1 83 83 HIS N N 83 126.139 126.139 124.802 1.337 18954 7354 1 17 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.695 -0.031 18954 7355 1 17 . 1 1 83 83 HIS CA C 83 51.655 51.655 55.743 -4.088 18954 7356 1 17 . 1 1 83 83 HIS CB C 83 28.017 28.017 32.161 -4.144 18954 7357 1 17 . 1 1 83 83 HIS H H 83 8.566 8.566 8.431 0.135 18954 7358 1 17 . 1 1 84 84 ASP N N 84 125.751 125.751 118.779 6.972 18954 7359 1 17 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.497 0.502 18954 7360 1 17 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.292 -2.673 18954 7361 1 17 . 1 1 84 84 ASP CB C 84 39.741 39.741 40.356 -0.615 18954 7362 1 17 . 1 1 84 84 ASP H H 84 8.913 8.913 7.078 1.835 18954 7363 1 17 . 1 1 85 85 SER N N 85 116.332 116.332 114.743 1.589 18954 7364 1 17 . 1 1 85 85 SER HA H 85 4.924 4.924 4.681 0.243 18954 7365 1 17 . 1 1 85 85 SER CA C 85 53.657 53.657 56.878 -3.221 18954 7366 1 17 . 1 1 85 85 SER CB C 85 64.982 64.982 64.663 0.319 18954 7367 1 17 . 1 1 85 85 SER H H 85 9.621 9.621 8.410 1.211 18954 7368 1 17 . 1 1 86 86 ARG N N 86 118.680 118.680 124.301 -5.621 18954 7369 1 17 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.205 -0.147 18954 7370 1 17 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.761 -2.914 18954 7371 1 17 . 1 1 86 86 ARG CB C 86 27.132 27.132 29.975 -2.843 18954 7372 1 17 . 1 1 86 86 ARG H H 86 8.695 8.695 8.904 -0.209 18954 7373 1 17 . 1 1 87 87 ARG N N 87 117.323 117.323 117.405 -0.082 18954 7374 1 17 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.423 -0.147 18954 7375 1 17 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.678 -1.688 18954 7376 1 17 . 1 1 87 87 ARG CB C 87 29.582 29.582 31.707 -2.125 18954 7377 1 17 . 1 1 87 87 ARG H H 87 7.710 7.710 8.177 -0.467 18954 7378 1 17 . 1 1 88 88 TRP N N 88 115.976 115.976 120.300 -4.324 18954 7379 1 17 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.152 0.725 18954 7380 1 17 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.484 -4.073 18954 7381 1 17 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.025 0.085 18954 7382 1 17 . 1 1 88 88 TRP H H 88 7.374 7.374 8.641 -1.267 18954 7383 1 17 . 1 1 89 89 GLN N N 89 118.426 118.426 122.423 -3.997 18954 7384 1 17 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.095 0.432 18954 7385 1 17 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.561 -1.896 18954 7386 1 17 . 1 1 89 89 GLN CB C 89 29.926 29.926 31.075 -1.149 18954 7387 1 17 . 1 1 89 89 GLN H H 89 8.803 8.803 8.446 0.357 18954 7388 1 17 . 1 1 90 90 LEU N N 90 127.680 127.680 124.275 3.405 18954 7389 1 17 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.718 0.511 18954 7390 1 17 . 1 1 90 90 LEU CA C 90 50.846 50.846 54.372 -3.526 18954 7391 1 17 . 1 1 90 90 LEU CB C 90 39.965 39.965 42.388 -2.423 18954 7392 1 17 . 1 1 90 90 LEU H H 90 8.518 8.518 8.815 -0.297 18954 7393 1 17 . 1 1 91 91 SER N N 91 121.513 121.513 113.239 8.274 18954 7394 1 17 . 1 1 91 91 SER HA H 91 4.639 4.639 4.545 0.094 18954 7395 1 17 . 1 1 91 91 SER CA C 91 54.241 54.241 57.580 -3.339 18954 7396 1 17 . 1 1 91 91 SER CB C 91 63.274 63.274 64.987 -1.713 18954 7397 1 17 . 1 1 91 91 SER H H 91 8.979 8.979 7.866 1.113 18954 7398 1 17 . 1 1 92 92 VAL N N 92 120.290 120.290 119.973 0.317 18954 7399 1 17 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.179 -0.063 18954 7400 1 17 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.619 0.270 18954 7401 1 17 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.633 -5.407 18954 7402 1 17 . 1 1 92 92 VAL H H 92 8.277 8.277 8.205 0.072 18954 7403 1 17 . 1 1 93 93 ALA N N 93 130.076 130.076 126.809 3.267 18954 7404 1 17 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.330 -0.151 18954 7405 1 17 . 1 1 93 93 ALA CA C 93 50.193 50.193 53.279 -3.086 18954 7406 1 17 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.054 -2.434 18954 7407 1 17 . 1 1 93 93 ALA H H 93 8.521 8.521 8.101 0.420 18954 7408 1 17 . 1 1 94 94 THR N N 94 113.705 113.705 112.656 1.049 18954 7409 1 17 . 1 1 94 94 THR HA H 94 4.190 4.190 4.461 -0.271 18954 7410 1 17 . 1 1 94 94 THR CA C 94 65.409 65.409 62.108 3.301 18954 7411 1 17 . 1 1 94 94 THR CB C 94 67.702 67.702 69.889 -2.187 18954 7412 1 17 . 1 1 94 94 THR H H 94 8.099 8.099 8.594 -0.495 18954 7413 1 18 . 1 1 3 3 ILE N N 3 123.622 123.622 116.440 7.182 18954 7414 1 18 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.415 -0.300 18954 7415 1 18 . 1 1 3 3 ILE CA C 3 58.302 58.302 60.806 -2.503 18954 7416 1 18 . 1 1 3 3 ILE CB C 3 36.212 36.212 38.294 -2.082 18954 7417 1 18 . 1 1 3 3 ILE H H 3 8.271 8.271 8.224 0.047 18954 7418 1 18 . 1 1 4 4 SER N N 4 120.605 120.605 120.145 0.460 18954 7419 1 18 . 1 1 4 4 SER HA H 4 4.368 4.368 4.610 -0.242 18954 7420 1 18 . 1 1 4 4 SER CA C 4 55.796 55.796 58.386 -2.590 18954 7421 1 18 . 1 1 4 4 SER CB C 4 60.945 60.945 63.251 -2.306 18954 7422 1 18 . 1 1 4 4 SER H H 4 8.425 8.425 8.187 0.238 18954 7423 1 18 . 1 1 5 5 GLY N N 5 111.455 111.455 112.245 -0.790 18954 7424 1 18 . 1 1 5 5 GLY CA C 5 42.781 42.781 44.555 -1.774 18954 7425 1 18 . 1 1 5 5 GLY H H 5 8.406 8.406 8.058 0.348 18954 7426 1 18 . 1 1 6 6 ALA N N 6 123.660 123.660 123.381 0.279 18954 7427 1 18 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.555 -0.236 18954 7428 1 18 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.516 -1.621 18954 7429 1 18 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.877 -2.949 18954 7430 1 18 . 1 1 6 6 ALA H H 6 8.103 8.103 8.073 0.030 18954 7431 1 18 . 1 1 7 7 THR N N 7 113.014 113.014 113.932 -0.918 18954 7432 1 18 . 1 1 7 7 THR HA H 7 4.309 4.309 4.504 -0.195 18954 7433 1 18 . 1 1 7 7 THR CA C 7 58.886 58.886 61.761 -2.875 18954 7434 1 18 . 1 1 7 7 THR CB C 7 67.461 67.461 69.590 -2.129 18954 7435 1 18 . 1 1 7 7 THR H H 7 8.108 8.108 7.925 0.183 18954 7436 1 18 . 1 1 8 8 SER N N 8 118.032 118.032 116.141 1.891 18954 7437 1 18 . 1 1 8 8 SER HA H 8 4.434 4.434 4.384 0.050 18954 7438 1 18 . 1 1 8 8 SER CA C 8 55.537 55.537 58.300 -2.763 18954 7439 1 18 . 1 1 8 8 SER CB C 8 61.305 61.305 63.476 -2.171 18954 7440 1 18 . 1 1 8 8 SER H H 8 8.222 8.222 8.373 -0.151 18954 7441 1 18 . 1 1 9 9 VAL N N 9 121.129 121.129 121.916 -0.787 18954 7442 1 18 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.341 -0.319 18954 7443 1 18 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.660 -2.646 18954 7444 1 18 . 1 1 9 9 VAL CB C 9 30.139 30.139 32.203 -2.064 18954 7445 1 18 . 1 1 9 9 VAL H H 9 8.098 8.098 8.362 -0.264 18954 7446 1 18 . 1 1 10 10 ASP N N 10 123.102 123.102 127.159 -4.057 18954 7447 1 18 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.726 -0.223 18954 7448 1 18 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.570 -2.935 18954 7449 1 18 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.579 -2.908 18954 7450 1 18 . 1 1 10 10 ASP H H 10 8.242 8.242 8.522 -0.280 18954 7451 1 18 . 1 1 11 11 GLN N N 11 121.449 121.449 117.929 3.520 18954 7452 1 18 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.515 -0.350 18954 7453 1 18 . 1 1 11 11 GLN CA C 11 53.773 53.773 54.987 -1.214 18954 7454 1 18 . 1 1 11 11 GLN CB C 11 26.558 26.558 30.739 -4.181 18954 7455 1 18 . 1 1 11 11 GLN H H 11 8.247 8.247 7.764 0.483 18954 7456 1 18 . 1 1 12 12 ARG N N 12 121.029 121.029 119.589 1.440 18954 7457 1 18 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.205 0.022 18954 7458 1 18 . 1 1 12 12 ARG CA C 12 59.634 59.634 57.730 1.904 18954 7459 1 18 . 1 1 12 12 ARG CB C 12 28.284 28.284 30.519 -2.235 18954 7460 1 18 . 1 1 12 12 ARG H H 12 8.215 8.215 8.663 -0.448 18954 7461 1 18 . 1 1 13 13 SER N N 13 121.168 121.168 110.926 10.242 18954 7462 1 18 . 1 1 13 13 SER HA H 13 4.327 4.327 4.476 -0.149 18954 7463 1 18 . 1 1 13 13 SER CA C 13 56.317 56.317 57.007 -0.690 18954 7464 1 18 . 1 1 13 13 SER CB C 13 61.153 61.153 65.358 -4.205 18954 7465 1 18 . 1 1 13 13 SER H H 13 8.483 8.483 7.544 0.939 18954 7466 1 18 . 1 1 14 14 LEU N N 14 115.731 115.731 121.273 -5.542 18954 7467 1 18 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.356 -0.109 18954 7468 1 18 . 1 1 14 14 LEU CA C 14 52.873 52.873 55.761 -2.888 18954 7469 1 18 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.633 -1.944 18954 7470 1 18 . 1 1 14 14 LEU H H 14 8.124 8.124 8.970 -0.846 18954 7471 1 18 . 1 1 15 15 ILE N N 15 119.991 119.991 111.970 8.021 18954 7472 1 18 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.432 -0.435 18954 7473 1 18 . 1 1 15 15 ILE CA C 15 58.840 58.840 59.736 -0.896 18954 7474 1 18 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.563 -1.358 18954 7475 1 18 . 1 1 15 15 ILE H H 15 7.859 7.859 7.559 0.300 18954 7476 1 18 . 1 1 16 16 ASN N N 16 120.780 120.780 119.446 1.334 18954 7477 1 18 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.507 0.206 18954 7478 1 18 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.532 -2.079 18954 7479 1 18 . 1 1 16 16 ASN H H 16 8.014 8.014 8.252 -0.238 18954 7480 1 18 . 1 1 17 17 SER N N 17 115.640 115.640 111.549 4.091 18954 7481 1 18 . 1 1 17 17 SER HA H 17 4.300 4.300 4.447 -0.147 18954 7482 1 18 . 1 1 17 17 SER CA C 17 56.001 56.001 58.762 -2.761 18954 7483 1 18 . 1 1 17 17 SER CB C 17 60.894 60.894 63.917 -3.023 18954 7484 1 18 . 1 1 17 17 SER H H 17 8.121 8.121 8.187 -0.066 18954 7485 1 18 . 1 1 18 18 ASN N N 18 121.876 121.876 118.967 2.909 18954 7486 1 18 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.899 -0.168 18954 7487 1 18 . 1 1 18 18 ASN CB C 18 36.293 36.293 40.598 -4.305 18954 7488 1 18 . 1 1 18 18 ASN H H 18 8.376 8.376 7.914 0.462 18954 7489 1 18 . 1 1 19 19 VAL N N 19 120.480 120.480 119.040 1.440 18954 7490 1 18 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.269 -0.240 18954 7491 1 18 . 1 1 19 19 VAL CA C 19 60.348 60.348 60.890 -0.542 18954 7492 1 18 . 1 1 19 19 VAL CB C 19 29.903 29.903 32.335 -2.432 18954 7493 1 18 . 1 1 19 19 VAL H H 19 8.022 8.022 8.358 -0.336 18954 7494 1 18 . 1 1 20 20 GLY N N 20 112.265 112.265 110.390 1.875 18954 7495 1 18 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.310 -2.612 18954 7496 1 18 . 1 1 20 20 GLY H H 20 8.567 8.567 7.672 0.895 18954 7497 1 18 . 1 1 21 21 PHE N N 21 119.701 119.701 119.054 0.647 18954 7498 1 18 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.034 0.099 18954 7499 1 18 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.982 -3.624 18954 7500 1 18 . 1 1 21 21 PHE CB C 21 40.894 40.894 42.636 -1.742 18954 7501 1 18 . 1 1 21 21 PHE H H 21 7.917 7.917 8.110 -0.193 18954 7502 1 18 . 1 1 22 22 VAL N N 22 120.733 120.733 119.931 0.802 18954 7503 1 18 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.535 -0.274 18954 7504 1 18 . 1 1 22 22 VAL CA C 22 57.972 57.972 61.175 -3.203 18954 7505 1 18 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.552 -2.474 18954 7506 1 18 . 1 1 22 22 VAL H H 22 9.221 9.221 9.177 0.044 18954 7507 1 18 . 1 1 23 23 THR N N 23 123.388 123.388 122.815 0.573 18954 7508 1 18 . 1 1 23 23 THR HA H 23 4.967 4.967 4.778 0.189 18954 7509 1 18 . 1 1 23 23 THR CA C 23 59.731 59.731 62.999 -3.268 18954 7510 1 18 . 1 1 23 23 THR CB C 23 66.715 66.715 69.968 -3.253 18954 7511 1 18 . 1 1 23 23 THR H H 23 8.403 8.403 8.625 -0.222 18954 7512 1 18 . 1 1 24 24 MET N N 24 125.957 125.957 122.964 2.993 18954 7513 1 18 . 1 1 24 24 MET HA H 24 4.702 4.702 4.525 0.177 18954 7514 1 18 . 1 1 24 24 MET CA C 24 51.056 51.056 54.445 -3.389 18954 7515 1 18 . 1 1 24 24 MET CB C 24 32.115 32.115 35.985 -3.870 18954 7516 1 18 . 1 1 24 24 MET H H 24 9.289 9.289 8.733 0.556 18954 7517 1 18 . 1 1 25 25 ILE N N 25 117.652 117.652 118.821 -1.169 18954 7518 1 18 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.360 0.039 18954 7519 1 18 . 1 1 25 25 ILE CA C 25 56.759 56.759 58.967 -2.208 18954 7520 1 18 . 1 1 25 25 ILE CB C 25 37.870 37.870 40.971 -3.101 18954 7521 1 18 . 1 1 25 25 ILE H H 25 8.572 8.572 8.258 0.313 18954 7522 1 18 . 1 1 26 26 LEU N N 26 130.281 130.281 125.324 4.957 18954 7523 1 18 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.712 0.502 18954 7524 1 18 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.111 -3.000 18954 7525 1 18 . 1 1 26 26 LEU CB C 26 41.363 41.363 45.204 -3.841 18954 7526 1 18 . 1 1 26 26 LEU H H 26 8.901 8.901 8.890 0.011 18954 7527 1 18 . 1 1 27 27 GLN N N 27 125.400 125.400 123.219 2.181 18954 7528 1 18 . 1 1 27 27 GLN HA H 27 4.773 4.773 5.021 -0.248 18954 7529 1 18 . 1 1 27 27 GLN CB C 27 29.511 29.511 31.863 -2.352 18954 7530 1 18 . 1 1 27 27 GLN H H 27 9.330 9.330 8.939 0.391 18954 7531 1 18 . 1 1 28 28 CYS N N 28 124.065 124.065 123.051 1.014 18954 7532 1 18 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.871 0.252 18954 7533 1 18 . 1 1 28 28 CYS CA C 28 53.035 53.035 54.939 -1.904 18954 7534 1 18 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.063 0.116 18954 7535 1 18 . 1 1 28 28 CYS H H 28 8.585 8.585 8.722 -0.137 18954 7536 1 18 . 1 1 29 29 SER N N 29 121.076 121.076 116.156 4.920 18954 7537 1 18 . 1 1 29 29 SER HA H 29 4.160 4.160 4.764 -0.604 18954 7538 1 18 . 1 1 29 29 SER CA C 29 57.073 57.073 57.367 -0.294 18954 7539 1 18 . 1 1 29 29 SER CB C 29 60.725 60.725 62.475 -1.750 18954 7540 1 18 . 1 1 29 29 SER H H 29 8.519 8.519 8.085 0.434 18954 7541 1 18 . 1 1 30 30 ILE N N 30 117.987 117.987 114.938 3.049 18954 7542 1 18 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.391 -0.083 18954 7543 1 18 . 1 1 30 30 ILE CA C 30 56.581 56.581 59.783 -3.203 18954 7544 1 18 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.013 -1.622 18954 7545 1 18 . 1 1 30 30 ILE H H 30 7.343 7.343 6.828 0.515 18954 7546 1 18 . 1 1 31 31 GLU N N 31 119.585 119.585 121.902 -2.317 18954 7547 1 18 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.291 -0.613 18954 7548 1 18 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.816 -2.592 18954 7549 1 18 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.060 -2.699 18954 7550 1 18 . 1 1 31 31 GLU H H 31 7.901 7.901 8.437 -0.536 18954 7551 1 18 . 1 1 32 32 MET N N 32 126.504 126.504 126.155 0.349 18954 7552 1 18 . 1 1 32 32 MET HA H 32 4.297 4.297 4.353 -0.056 18954 7553 1 18 . 1 1 32 32 MET CA C 32 50.919 50.919 52.863 -1.944 18954 7554 1 18 . 1 1 32 32 MET CB C 32 32.696 32.696 32.277 0.419 18954 7555 1 18 . 1 1 32 32 MET H H 32 8.406 8.406 8.724 -0.318 18954 7556 1 18 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.312 -0.121 18954 7557 1 18 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.315 -2.548 18954 7558 1 18 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.945 -1.919 18954 7559 1 18 . 1 1 34 34 ASN N N 34 107.313 107.313 113.626 -6.313 18954 7560 1 18 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.083 -0.267 18954 7561 1 18 . 1 1 34 34 ASN CA C 34 49.972 49.972 52.065 -2.093 18954 7562 1 18 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.602 -2.465 18954 7563 1 18 . 1 1 34 34 ASN H H 34 7.077 7.077 7.877 -0.800 18954 7564 1 18 . 1 1 35 35 ILE N N 35 122.015 122.015 118.897 3.118 18954 7565 1 18 . 1 1 35 35 ILE HA H 35 3.943 3.943 4.046 -0.103 18954 7566 1 18 . 1 1 35 35 ILE CA C 35 61.775 61.775 62.040 -0.265 18954 7567 1 18 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.590 -2.200 18954 7568 1 18 . 1 1 35 35 ILE H H 35 9.109 9.109 8.740 0.369 18954 7569 1 18 . 1 1 36 36 SER N N 36 119.851 119.851 117.580 2.271 18954 7570 1 18 . 1 1 36 36 SER HA H 36 4.366 4.366 4.340 0.026 18954 7571 1 18 . 1 1 36 36 SER CA C 36 59.274 59.274 62.090 -2.816 18954 7572 1 18 . 1 1 36 36 SER CB C 36 59.818 59.818 62.913 -3.095 18954 7573 1 18 . 1 1 36 36 SER H H 36 8.936 8.936 8.116 0.820 18954 7574 1 18 . 1 1 37 37 TYR N N 37 122.338 122.338 120.639 1.699 18954 7575 1 18 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.128 0.075 18954 7576 1 18 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.604 -3.419 18954 7577 1 18 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.279 -1.886 18954 7578 1 18 . 1 1 37 37 TYR H H 37 7.808 7.808 8.770 -0.962 18954 7579 1 18 . 1 1 38 38 ALA N N 38 120.761 120.761 121.197 -0.436 18954 7580 1 18 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.886 -0.015 18954 7581 1 18 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.557 -2.760 18954 7582 1 18 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.875 -1.218 18954 7583 1 18 . 1 1 38 38 ALA H H 38 7.364 7.364 7.871 -0.507 18954 7584 1 18 . 1 1 39 39 TRP N N 39 115.813 115.813 118.978 -3.165 18954 7585 1 18 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.108 -0.032 18954 7586 1 18 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.747 -3.017 18954 7587 1 18 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.238 -1.526 18954 7588 1 18 . 1 1 39 39 TRP H H 39 7.134 7.134 7.688 -0.554 18954 7589 1 18 . 1 1 40 40 LYS N N 40 117.209 117.209 118.720 -1.511 18954 7590 1 18 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.862 -0.013 18954 7591 1 18 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.708 -3.724 18954 7592 1 18 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.075 -2.086 18954 7593 1 18 . 1 1 40 40 LYS H H 40 8.091 8.091 8.457 -0.366 18954 7594 1 18 . 1 1 41 41 GLU N N 41 119.521 119.521 119.401 0.120 18954 7595 1 18 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.850 0.104 18954 7596 1 18 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.466 -3.564 18954 7597 1 18 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.796 -2.874 18954 7598 1 18 . 1 1 41 41 GLU H H 41 6.674 6.674 7.466 -0.792 18954 7599 1 18 . 1 1 42 42 LEU N N 42 117.269 117.269 120.394 -3.125 18954 7600 1 18 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.214 -0.327 18954 7601 1 18 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.085 -2.245 18954 7602 1 18 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.364 -1.526 18954 7603 1 18 . 1 1 42 42 LEU H H 42 7.866 7.866 8.389 -0.523 18954 7604 1 18 . 1 1 43 43 LYS N N 43 117.633 117.633 119.381 -1.748 18954 7605 1 18 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.205 -0.236 18954 7606 1 18 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.667 -3.660 18954 7607 1 18 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.250 -2.158 18954 7608 1 18 . 1 1 43 43 LYS H H 43 8.458 8.458 8.368 0.090 18954 7609 1 18 . 1 1 44 44 GLU N N 44 120.906 120.906 119.759 1.147 18954 7610 1 18 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.005 -0.162 18954 7611 1 18 . 1 1 44 44 GLU CA C 44 56.955 56.955 59.088 -2.133 18954 7612 1 18 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.573 -2.718 18954 7613 1 18 . 1 1 44 44 GLU H H 44 8.013 8.013 7.990 0.023 18954 7614 1 18 . 1 1 45 45 GLN N N 45 113.584 113.584 116.818 -3.234 18954 7615 1 18 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.072 0.066 18954 7616 1 18 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.886 0.291 18954 7617 1 18 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.495 -1.959 18954 7618 1 18 . 1 1 45 45 GLN H H 45 7.665 7.665 8.052 -0.387 18954 7619 1 18 . 1 1 46 46 LEU N N 46 114.594 114.594 114.960 -0.366 18954 7620 1 18 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.445 0.025 18954 7621 1 18 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.971 -3.042 18954 7622 1 18 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.988 -3.352 18954 7623 1 18 . 1 1 46 46 LEU H H 46 8.652 8.652 8.087 0.565 18954 7624 1 18 . 1 1 47 47 GLY N N 47 110.084 110.084 107.669 2.415 18954 7625 1 18 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.451 -2.612 18954 7626 1 18 . 1 1 47 47 GLY H H 47 7.642 7.642 7.754 -0.112 18954 7627 1 18 . 1 1 48 48 GLU N N 48 118.535 118.535 122.425 -3.890 18954 7628 1 18 . 1 1 48 48 GLU HA H 48 3.712 3.712 3.989 -0.277 18954 7629 1 18 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.703 -2.281 18954 7630 1 18 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.767 -2.302 18954 7631 1 18 . 1 1 48 48 GLU H H 48 8.348 8.348 8.792 -0.444 18954 7632 1 18 . 1 1 49 49 GLU N N 49 114.460 114.460 117.333 -2.873 18954 7633 1 18 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.323 0.050 18954 7634 1 18 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.331 -1.918 18954 7635 1 18 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.820 -2.859 18954 7636 1 18 . 1 1 49 49 GLU H H 49 8.498 8.498 8.448 0.050 18954 7637 1 18 . 1 1 50 50 ILE N N 50 121.524 121.524 121.352 0.172 18954 7638 1 18 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.889 0.213 18954 7639 1 18 . 1 1 50 50 ILE CA C 50 57.703 57.703 63.421 -5.718 18954 7640 1 18 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.530 -2.793 18954 7641 1 18 . 1 1 50 50 ILE H H 50 7.617 7.617 7.287 0.330 18954 7642 1 18 . 1 1 51 51 ASP N N 51 119.881 119.881 120.169 -0.288 18954 7643 1 18 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.445 -0.145 18954 7644 1 18 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.294 -2.763 18954 7645 1 18 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.226 -2.028 18954 7646 1 18 . 1 1 51 51 ASP H H 51 7.926 7.926 8.487 -0.561 18954 7647 1 18 . 1 1 52 52 SER N N 52 113.164 113.164 114.481 -1.317 18954 7648 1 18 . 1 1 52 52 SER HA H 52 4.403 4.403 4.177 0.226 18954 7649 1 18 . 1 1 52 52 SER CA C 52 56.968 56.968 60.746 -3.778 18954 7650 1 18 . 1 1 52 52 SER CB C 52 61.183 61.183 63.223 -2.040 18954 7651 1 18 . 1 1 52 52 SER H H 52 7.888 7.888 8.162 -0.274 18954 7652 1 18 . 1 1 53 53 LYS N N 53 120.411 120.411 119.240 1.171 18954 7653 1 18 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.486 -0.032 18954 7654 1 18 . 1 1 53 53 LYS CA C 53 53.813 53.813 56.251 -2.438 18954 7655 1 18 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.309 -0.950 18954 7656 1 18 . 1 1 53 53 LYS H H 53 7.714 7.714 7.920 -0.206 18954 7657 1 18 . 1 1 54 54 VAL N N 54 116.701 116.701 118.721 -2.020 18954 7658 1 18 . 1 1 54 54 VAL HA H 54 4.467 4.467 3.924 0.543 18954 7659 1 18 . 1 1 54 54 VAL CA C 54 59.565 59.565 62.664 -3.099 18954 7660 1 18 . 1 1 54 54 VAL CB C 54 30.833 30.833 32.431 -1.598 18954 7661 1 18 . 1 1 54 54 VAL H H 54 7.041 7.041 7.340 -0.299 18954 7662 1 18 . 1 1 55 55 LYS N N 55 125.891 125.891 123.883 2.008 18954 7663 1 18 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.286 0.462 18954 7664 1 18 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.991 -3.389 18954 7665 1 18 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.378 -0.090 18954 7666 1 18 . 1 1 55 55 LYS H H 55 9.138 9.138 7.921 1.217 18954 7667 1 18 . 1 1 56 56 GLY N N 56 109.312 109.312 108.337 0.975 18954 7668 1 18 . 1 1 56 56 GLY CA C 56 44.716 44.716 44.603 0.113 18954 7669 1 18 . 1 1 56 56 GLY H H 56 8.489 8.489 8.501 -0.012 18954 7670 1 18 . 1 1 57 57 MET N N 57 118.391 118.391 127.996 -9.605 18954 7671 1 18 . 1 1 57 57 MET HA H 57 4.930 4.930 4.478 0.452 18954 7672 1 18 . 1 1 57 57 MET CA C 57 53.906 53.906 56.854 -2.948 18954 7673 1 18 . 1 1 57 57 MET CB C 57 30.841 30.841 33.437 -2.596 18954 7674 1 18 . 1 1 57 57 MET H H 57 8.039 8.039 8.026 0.013 18954 7675 1 18 . 1 1 58 58 VAL N N 58 124.257 124.257 118.986 5.271 18954 7676 1 18 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.693 -0.244 18954 7677 1 18 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.953 -2.903 18954 7678 1 18 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.840 -0.984 18954 7679 1 18 . 1 1 58 58 VAL H H 58 8.780 8.780 8.809 -0.029 18954 7680 1 18 . 1 1 59 59 PHE N N 59 120.512 120.512 122.205 -1.693 18954 7681 1 18 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.458 0.517 18954 7682 1 18 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.526 -2.962 18954 7683 1 18 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.656 -1.966 18954 7684 1 18 . 1 1 59 59 PHE H H 59 8.432 8.432 8.632 -0.200 18954 7685 1 18 . 1 1 60 60 LEU N N 60 120.934 120.934 124.344 -3.410 18954 7686 1 18 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.517 -0.141 18954 7687 1 18 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.763 -2.536 18954 7688 1 18 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.566 -3.041 18954 7689 1 18 . 1 1 60 60 LEU H H 60 8.291 8.291 8.261 0.030 18954 7690 1 18 . 1 1 61 61 LYS N N 61 122.117 122.117 121.182 0.935 18954 7691 1 18 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.179 -0.198 18954 7692 1 18 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.554 -2.011 18954 7693 1 18 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.245 -2.603 18954 7694 1 18 . 1 1 61 61 LYS H H 61 8.371 8.371 8.412 -0.041 18954 7695 1 18 . 1 1 62 62 GLY N N 62 114.590 114.590 112.394 2.196 18954 7696 1 18 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.513 -1.541 18954 7697 1 18 . 1 1 62 62 GLY H H 62 8.870 8.870 8.159 0.711 18954 7698 1 18 . 1 1 63 63 LYS N N 63 111.406 111.406 120.657 -9.251 18954 7699 1 18 . 1 1 63 63 LYS H H 63 8.129 8.129 8.371 -0.242 18954 7700 1 18 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.896 -0.430 18954 7701 1 18 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.147 -1.875 18954 7702 1 18 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.719 -4.263 18954 7703 1 18 . 1 1 65 65 GLY N N 65 105.164 105.164 105.485 -0.321 18954 7704 1 18 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.150 -2.558 18954 7705 1 18 . 1 1 65 65 GLY H H 65 7.375 7.375 7.342 0.033 18954 7706 1 18 . 1 1 66 66 VAL N N 66 111.490 111.490 118.556 -7.066 18954 7707 1 18 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.935 0.456 18954 7708 1 18 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.956 -3.688 18954 7709 1 18 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.377 -1.326 18954 7710 1 18 . 1 1 66 66 VAL H H 66 9.127 9.127 8.580 0.547 18954 7711 1 18 . 1 1 67 67 CYS N N 67 116.847 116.847 117.658 -0.811 18954 7712 1 18 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.057 0.437 18954 7713 1 18 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.582 -2.712 18954 7714 1 18 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.594 -3.109 18954 7715 1 18 . 1 1 67 67 CYS H H 67 8.914 8.914 9.060 -0.146 18954 7716 1 18 . 1 1 68 68 PHE N N 68 116.013 116.013 114.801 1.212 18954 7717 1 18 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.804 -0.164 18954 7718 1 18 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.574 -2.938 18954 7719 1 18 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.226 -3.262 18954 7720 1 18 . 1 1 68 68 PHE H H 68 8.118 8.118 7.964 0.154 18954 7721 1 18 . 1 1 69 69 ASP N N 69 119.562 119.562 121.699 -2.137 18954 7722 1 18 . 1 1 69 69 ASP HA H 69 5.737 5.737 4.816 0.921 18954 7723 1 18 . 1 1 69 69 ASP CA C 69 50.163 50.163 55.018 -4.855 18954 7724 1 18 . 1 1 69 69 ASP CB C 69 40.589 40.589 41.346 -0.757 18954 7725 1 18 . 1 1 69 69 ASP H H 69 8.999 8.999 8.402 0.597 18954 7726 1 18 . 1 1 70 70 VAL N N 70 114.283 114.283 117.337 -3.054 18954 7727 1 18 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.813 0.521 18954 7728 1 18 . 1 1 70 70 VAL CA C 70 54.964 54.964 58.036 -3.072 18954 7729 1 18 . 1 1 70 70 VAL CB C 70 31.536 31.536 33.595 -2.059 18954 7730 1 18 . 1 1 70 70 VAL H H 70 8.913 8.913 8.946 -0.033 18954 7731 1 18 . 1 1 71 71 PRO HA H 71 4.227 4.227 4.836 -0.609 18954 7732 1 18 . 1 1 71 71 PRO CA C 71 59.838 59.838 63.427 -3.589 18954 7733 1 18 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.970 -2.497 18954 7734 1 18 . 1 1 72 72 THR N N 72 121.039 121.039 121.200 -0.161 18954 7735 1 18 . 1 1 72 72 THR HA H 72 3.597 3.597 3.986 -0.389 18954 7736 1 18 . 1 1 72 72 THR CA C 72 63.671 63.671 66.909 -3.238 18954 7737 1 18 . 1 1 72 72 THR CB C 72 65.826 65.826 68.495 -2.669 18954 7738 1 18 . 1 1 72 72 THR H H 72 8.235 8.235 8.512 -0.277 18954 7739 1 18 . 1 1 73 73 ALA N N 73 120.196 120.196 122.718 -2.522 18954 7740 1 18 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.199 -0.056 18954 7741 1 18 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.466 -2.995 18954 7742 1 18 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.228 -2.133 18954 7743 1 18 . 1 1 73 73 ALA H H 73 8.466 8.466 8.018 0.448 18954 7744 1 18 . 1 1 74 74 SER N N 74 112.214 112.214 115.906 -3.692 18954 7745 1 18 . 1 1 74 74 SER HA H 74 4.552 4.552 4.275 0.277 18954 7746 1 18 . 1 1 74 74 SER CA C 74 57.492 57.492 61.815 -4.323 18954 7747 1 18 . 1 1 74 74 SER CB C 74 62.101 62.101 63.101 -1.000 18954 7748 1 18 . 1 1 74 74 SER H H 74 8.019 8.019 7.698 0.321 18954 7749 1 18 . 1 1 75 75 VAL N N 75 121.652 121.652 120.748 0.904 18954 7750 1 18 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.816 -0.561 18954 7751 1 18 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.498 -1.491 18954 7752 1 18 . 1 1 75 75 VAL CB C 75 29.350 29.350 30.940 -1.590 18954 7753 1 18 . 1 1 75 75 VAL H H 75 7.222 7.222 8.787 -1.565 18954 7754 1 18 . 1 1 76 76 THR N N 76 113.812 113.812 114.431 -0.619 18954 7755 1 18 . 1 1 76 76 THR HA H 76 3.963 3.963 3.991 -0.028 18954 7756 1 18 . 1 1 76 76 THR CA C 76 63.804 63.804 66.524 -2.720 18954 7757 1 18 . 1 1 76 76 THR CB C 76 65.567 65.567 68.475 -2.908 18954 7758 1 18 . 1 1 76 76 THR H H 76 8.107 8.107 7.578 0.529 18954 7759 1 18 . 1 1 77 77 GLU N N 77 121.634 121.634 122.176 -0.542 18954 7760 1 18 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.117 -0.084 18954 7761 1 18 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.090 -2.733 18954 7762 1 18 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.520 -2.488 18954 7763 1 18 . 1 1 77 77 GLU H H 77 7.737 7.737 7.827 -0.090 18954 7764 1 18 . 1 1 78 78 ILE N N 78 119.383 119.383 119.389 -0.006 18954 7765 1 18 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.634 -0.023 18954 7766 1 18 . 1 1 78 78 ILE CA C 78 63.089 63.089 65.762 -2.673 18954 7767 1 18 . 1 1 78 78 ILE CB C 78 35.616 35.616 38.135 -2.519 18954 7768 1 18 . 1 1 78 78 ILE H H 78 7.694 7.694 7.741 -0.047 18954 7769 1 18 . 1 1 79 79 GLN N N 79 116.015 116.015 114.856 1.159 18954 7770 1 18 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.162 -0.234 18954 7771 1 18 . 1 1 79 79 GLN CA C 79 56.668 56.668 57.458 -0.790 18954 7772 1 18 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.723 -2.316 18954 7773 1 18 . 1 1 79 79 GLN H H 79 8.319 8.319 7.551 0.768 18954 7774 1 18 . 1 1 80 80 GLU N N 80 116.824 116.824 117.779 -0.955 18954 7775 1 18 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.165 -0.098 18954 7776 1 18 . 1 1 80 80 GLU CA C 80 55.591 55.591 57.660 -2.069 18954 7777 1 18 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.296 -2.867 18954 7778 1 18 . 1 1 80 80 GLU H H 80 7.884 7.884 7.636 0.248 18954 7779 1 18 . 1 1 81 81 LYS N N 81 118.113 118.113 117.193 0.920 18954 7780 1 18 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.411 -0.217 18954 7781 1 18 . 1 1 81 81 LYS CA C 81 54.843 54.843 56.569 -1.726 18954 7782 1 18 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.778 -1.002 18954 7783 1 18 . 1 1 81 81 LYS H H 81 7.396 7.396 8.145 -0.749 18954 7784 1 18 . 1 1 82 82 TRP N N 82 119.572 119.572 121.032 -1.460 18954 7785 1 18 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.795 -0.683 18954 7786 1 18 . 1 1 82 82 TRP CA C 82 55.919 55.919 56.751 -0.832 18954 7787 1 18 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.353 -2.900 18954 7788 1 18 . 1 1 82 82 TRP H H 82 7.966 7.966 7.522 0.444 18954 7789 1 18 . 1 1 83 83 HIS N N 83 126.139 126.139 128.503 -2.364 18954 7790 1 18 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.973 -0.309 18954 7791 1 18 . 1 1 83 83 HIS CA C 83 51.655 51.655 55.302 -3.647 18954 7792 1 18 . 1 1 83 83 HIS CB C 83 28.017 28.017 30.439 -2.421 18954 7793 1 18 . 1 1 83 83 HIS H H 83 8.566 8.566 8.200 0.366 18954 7794 1 18 . 1 1 84 84 ASP N N 84 125.751 125.751 121.772 3.979 18954 7795 1 18 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.639 0.360 18954 7796 1 18 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.380 -2.761 18954 7797 1 18 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.250 -1.509 18954 7798 1 18 . 1 1 84 84 ASP H H 84 8.913 8.913 8.785 0.128 18954 7799 1 18 . 1 1 85 85 SER N N 85 116.332 116.332 114.477 1.855 18954 7800 1 18 . 1 1 85 85 SER HA H 85 4.924 4.924 4.566 0.358 18954 7801 1 18 . 1 1 85 85 SER CA C 85 53.657 53.657 57.236 -3.579 18954 7802 1 18 . 1 1 85 85 SER CB C 85 64.982 64.982 64.963 0.019 18954 7803 1 18 . 1 1 85 85 SER H H 85 9.621 9.621 8.309 1.312 18954 7804 1 18 . 1 1 86 86 ARG N N 86 118.680 118.680 124.991 -6.311 18954 7805 1 18 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.205 -0.147 18954 7806 1 18 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.854 -3.007 18954 7807 1 18 . 1 1 86 86 ARG CB C 86 27.132 27.132 29.898 -2.766 18954 7808 1 18 . 1 1 86 86 ARG H H 86 8.695 8.695 8.935 -0.240 18954 7809 1 18 . 1 1 87 87 ARG N N 87 117.323 117.323 116.782 0.541 18954 7810 1 18 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.471 -0.195 18954 7811 1 18 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.399 -1.410 18954 7812 1 18 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.199 -2.617 18954 7813 1 18 . 1 1 87 87 ARG H H 87 7.710 7.710 8.251 -0.541 18954 7814 1 18 . 1 1 88 88 TRP N N 88 115.976 115.976 120.925 -4.949 18954 7815 1 18 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.189 0.688 18954 7816 1 18 . 1 1 88 88 TRP CA C 88 52.411 52.411 57.025 -4.614 18954 7817 1 18 . 1 1 88 88 TRP CB C 88 32.110 32.110 31.851 0.259 18954 7818 1 18 . 1 1 88 88 TRP H H 88 7.374 7.374 8.010 -0.636 18954 7819 1 18 . 1 1 89 89 GLN N N 89 118.426 118.426 121.057 -2.631 18954 7820 1 18 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.093 0.434 18954 7821 1 18 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.003 -1.338 18954 7822 1 18 . 1 1 89 89 GLN CB C 89 29.926 29.926 31.884 -1.958 18954 7823 1 18 . 1 1 89 89 GLN H H 89 8.803 8.803 9.076 -0.273 18954 7824 1 18 . 1 1 90 90 LEU N N 90 127.680 127.680 122.201 5.479 18954 7825 1 18 . 1 1 90 90 LEU HA H 90 5.229 5.229 5.005 0.224 18954 7826 1 18 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.353 -2.507 18954 7827 1 18 . 1 1 90 90 LEU CB C 90 39.965 39.965 44.120 -4.155 18954 7828 1 18 . 1 1 90 90 LEU H H 90 8.518 8.518 8.684 -0.166 18954 7829 1 18 . 1 1 91 91 SER N N 91 121.513 121.513 115.414 6.099 18954 7830 1 18 . 1 1 91 91 SER HA H 91 4.639 4.639 4.667 -0.028 18954 7831 1 18 . 1 1 91 91 SER CA C 91 54.241 54.241 57.446 -3.205 18954 7832 1 18 . 1 1 91 91 SER CB C 91 63.274 63.274 65.238 -1.964 18954 7833 1 18 . 1 1 91 91 SER H H 91 8.979 8.979 8.067 0.912 18954 7834 1 18 . 1 1 92 92 VAL N N 92 120.290 120.290 119.451 0.839 18954 7835 1 18 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.084 0.032 18954 7836 1 18 . 1 1 92 92 VAL CA C 92 59.889 59.889 60.243 -0.354 18954 7837 1 18 . 1 1 92 92 VAL CB C 92 30.225 30.225 34.495 -4.270 18954 7838 1 18 . 1 1 92 92 VAL H H 92 8.277 8.277 8.274 0.003 18954 7839 1 18 . 1 1 93 93 ALA N N 93 130.076 130.076 129.276 0.800 18954 7840 1 18 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.730 -0.551 18954 7841 1 18 . 1 1 93 93 ALA CA C 93 50.193 50.193 51.619 -1.426 18954 7842 1 18 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.679 -3.059 18954 7843 1 18 . 1 1 93 93 ALA H H 93 8.521 8.521 8.519 0.002 18954 7844 1 18 . 1 1 94 94 THR N N 94 113.705 113.705 115.447 -1.742 18954 7845 1 18 . 1 1 94 94 THR HA H 94 4.190 4.190 4.192 -0.002 18954 7846 1 18 . 1 1 94 94 THR CA C 94 65.409 65.409 63.962 1.447 18954 7847 1 18 . 1 1 94 94 THR CB C 94 67.702 67.702 69.052 -1.350 18954 7848 1 18 . 1 1 94 94 THR H H 94 8.099 8.099 8.318 -0.219 18954 7849 1 19 . 1 1 3 3 ILE N N 3 123.622 123.622 119.396 4.226 18954 7850 1 19 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.434 -0.319 18954 7851 1 19 . 1 1 3 3 ILE CA C 3 58.302 58.302 60.667 -2.365 18954 7852 1 19 . 1 1 3 3 ILE CB C 3 36.212 36.212 39.685 -3.473 18954 7853 1 19 . 1 1 3 3 ILE H H 3 8.271 8.271 8.420 -0.149 18954 7854 1 19 . 1 1 4 4 SER N N 4 120.605 120.605 121.541 -0.936 18954 7855 1 19 . 1 1 4 4 SER HA H 4 4.368 4.368 4.649 -0.281 18954 7856 1 19 . 1 1 4 4 SER CA C 4 55.796 55.796 57.426 -1.630 18954 7857 1 19 . 1 1 4 4 SER CB C 4 60.945 60.945 65.033 -4.088 18954 7858 1 19 . 1 1 4 4 SER H H 4 8.425 8.425 8.599 -0.174 18954 7859 1 19 . 1 1 5 5 GLY N N 5 111.455 111.455 110.204 1.251 18954 7860 1 19 . 1 1 5 5 GLY CA C 5 42.781 42.781 45.510 -2.728 18954 7861 1 19 . 1 1 5 5 GLY H H 5 8.406 8.406 8.630 -0.224 18954 7862 1 19 . 1 1 6 6 ALA N N 6 123.660 123.660 121.531 2.129 18954 7863 1 19 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.590 -0.271 18954 7864 1 19 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.739 -1.845 18954 7865 1 19 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.884 -2.956 18954 7866 1 19 . 1 1 6 6 ALA H H 6 8.103 8.103 7.338 0.765 18954 7867 1 19 . 1 1 7 7 THR N N 7 113.014 113.014 113.244 -0.230 18954 7868 1 19 . 1 1 7 7 THR HA H 7 4.309 4.309 4.265 0.044 18954 7869 1 19 . 1 1 7 7 THR CA C 7 58.886 58.886 62.475 -3.590 18954 7870 1 19 . 1 1 7 7 THR CB C 7 67.461 67.461 68.849 -1.387 18954 7871 1 19 . 1 1 7 7 THR H H 7 8.108 8.108 8.318 -0.210 18954 7872 1 19 . 1 1 8 8 SER N N 8 118.032 118.032 118.636 -0.604 18954 7873 1 19 . 1 1 8 8 SER HA H 8 4.434 4.434 4.446 -0.012 18954 7874 1 19 . 1 1 8 8 SER CA C 8 55.537 55.537 58.542 -3.005 18954 7875 1 19 . 1 1 8 8 SER CB C 8 61.305 61.305 63.979 -2.674 18954 7876 1 19 . 1 1 8 8 SER H H 8 8.222 8.222 7.961 0.261 18954 7877 1 19 . 1 1 9 9 VAL N N 9 121.129 121.129 118.933 2.196 18954 7878 1 19 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.074 -0.052 18954 7879 1 19 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.951 -2.937 18954 7880 1 19 . 1 1 9 9 VAL CB C 9 30.139 30.139 31.572 -1.433 18954 7881 1 19 . 1 1 9 9 VAL H H 9 8.098 8.098 8.422 -0.324 18954 7882 1 19 . 1 1 10 10 ASP N N 10 123.102 123.102 120.960 2.142 18954 7883 1 19 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.787 -0.284 18954 7884 1 19 . 1 1 10 10 ASP CA C 10 51.635 51.635 53.432 -1.797 18954 7885 1 19 . 1 1 10 10 ASP CB C 10 38.671 38.671 39.927 -1.256 18954 7886 1 19 . 1 1 10 10 ASP H H 10 8.242 8.242 8.036 0.206 18954 7887 1 19 . 1 1 11 11 GLN N N 11 121.449 121.449 116.945 4.504 18954 7888 1 19 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.545 -0.380 18954 7889 1 19 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.131 -1.358 18954 7890 1 19 . 1 1 11 11 GLN CB C 11 26.558 26.558 30.788 -4.230 18954 7891 1 19 . 1 1 11 11 GLN H H 11 8.247 8.247 7.488 0.759 18954 7892 1 19 . 1 1 12 12 ARG N N 12 121.029 121.029 120.374 0.655 18954 7893 1 19 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.322 -0.095 18954 7894 1 19 . 1 1 12 12 ARG CA C 12 59.634 59.634 55.950 3.684 18954 7895 1 19 . 1 1 12 12 ARG CB C 12 28.284 28.284 32.182 -3.898 18954 7896 1 19 . 1 1 12 12 ARG H H 12 8.215 8.215 8.619 -0.404 18954 7897 1 19 . 1 1 13 13 SER N N 13 121.168 121.168 112.855 8.313 18954 7898 1 19 . 1 1 13 13 SER HA H 13 4.327 4.327 4.756 -0.429 18954 7899 1 19 . 1 1 13 13 SER CA C 13 56.317 56.317 57.640 -1.323 18954 7900 1 19 . 1 1 13 13 SER CB C 13 61.153 61.153 66.395 -5.242 18954 7901 1 19 . 1 1 13 13 SER H H 13 8.483 8.483 7.843 0.640 18954 7902 1 19 . 1 1 14 14 LEU N N 14 115.731 115.731 123.009 -7.278 18954 7903 1 19 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.374 -0.127 18954 7904 1 19 . 1 1 14 14 LEU CA C 14 52.873 52.873 55.509 -2.636 18954 7905 1 19 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.150 -1.461 18954 7906 1 19 . 1 1 14 14 LEU H H 14 8.124 8.124 8.658 -0.534 18954 7907 1 19 . 1 1 15 15 ILE N N 15 119.991 119.991 112.979 7.012 18954 7908 1 19 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.469 -0.472 18954 7909 1 19 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.311 -1.471 18954 7910 1 19 . 1 1 15 15 ILE CB C 15 36.205 36.205 38.255 -2.050 18954 7911 1 19 . 1 1 15 15 ILE H H 15 7.859 7.859 7.504 0.355 18954 7912 1 19 . 1 1 16 16 ASN N N 16 120.780 120.780 122.190 -1.410 18954 7913 1 19 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.500 0.213 18954 7914 1 19 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.347 -1.894 18954 7915 1 19 . 1 1 16 16 ASN H H 16 8.014 8.014 8.427 -0.413 18954 7916 1 19 . 1 1 17 17 SER N N 17 115.640 115.640 109.591 6.049 18954 7917 1 19 . 1 1 17 17 SER HA H 17 4.300 4.300 4.523 -0.223 18954 7918 1 19 . 1 1 17 17 SER CA C 17 56.001 56.001 57.485 -1.484 18954 7919 1 19 . 1 1 17 17 SER CB C 17 60.894 60.894 63.682 -2.788 18954 7920 1 19 . 1 1 17 17 SER H H 17 8.121 8.121 7.978 0.143 18954 7921 1 19 . 1 1 18 18 ASN N N 18 121.876 121.876 119.812 2.064 18954 7922 1 19 . 1 1 18 18 ASN HA H 18 4.731 4.731 5.006 -0.275 18954 7923 1 19 . 1 1 18 18 ASN CB C 18 36.293 36.293 40.651 -4.359 18954 7924 1 19 . 1 1 18 18 ASN H H 18 8.376 8.376 7.592 0.784 18954 7925 1 19 . 1 1 19 19 VAL N N 19 120.480 120.480 121.525 -1.045 18954 7926 1 19 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.275 -0.246 18954 7927 1 19 . 1 1 19 19 VAL CA C 19 60.348 60.348 60.566 -0.218 18954 7928 1 19 . 1 1 19 19 VAL CB C 19 29.903 29.903 32.035 -2.132 18954 7929 1 19 . 1 1 19 19 VAL H H 19 8.022 8.022 8.335 -0.313 18954 7930 1 19 . 1 1 20 20 GLY N N 20 112.265 112.265 111.024 1.241 18954 7931 1 19 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.453 -2.755 18954 7932 1 19 . 1 1 20 20 GLY H H 20 8.567 8.567 8.216 0.351 18954 7933 1 19 . 1 1 21 21 PHE N N 21 119.701 119.701 120.691 -0.990 18954 7934 1 19 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.676 -0.543 18954 7935 1 19 . 1 1 21 21 PHE CA C 21 54.358 54.358 56.734 -2.376 18954 7936 1 19 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.498 -2.604 18954 7937 1 19 . 1 1 21 21 PHE H H 21 7.917 7.917 7.683 0.234 18954 7938 1 19 . 1 1 22 22 VAL N N 22 120.733 120.733 121.444 -0.711 18954 7939 1 19 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.510 -0.249 18954 7940 1 19 . 1 1 22 22 VAL CA C 22 57.972 57.972 59.931 -1.959 18954 7941 1 19 . 1 1 22 22 VAL CB C 22 33.078 33.078 36.266 -3.188 18954 7942 1 19 . 1 1 22 22 VAL H H 22 9.221 9.221 9.028 0.193 18954 7943 1 19 . 1 1 23 23 THR N N 23 123.388 123.388 123.772 -0.384 18954 7944 1 19 . 1 1 23 23 THR HA H 23 4.967 4.967 4.553 0.414 18954 7945 1 19 . 1 1 23 23 THR CA C 23 59.731 59.731 63.902 -4.171 18954 7946 1 19 . 1 1 23 23 THR CB C 23 66.715 66.715 69.437 -2.722 18954 7947 1 19 . 1 1 23 23 THR H H 23 8.403 8.403 8.681 -0.278 18954 7948 1 19 . 1 1 24 24 MET N N 24 125.957 125.957 122.839 3.118 18954 7949 1 19 . 1 1 24 24 MET HA H 24 4.702 4.702 4.526 0.176 18954 7950 1 19 . 1 1 24 24 MET CA C 24 51.056 51.056 54.629 -3.573 18954 7951 1 19 . 1 1 24 24 MET CB C 24 32.115 32.115 35.383 -3.268 18954 7952 1 19 . 1 1 24 24 MET H H 24 9.289 9.289 8.824 0.465 18954 7953 1 19 . 1 1 25 25 ILE N N 25 117.652 117.652 119.708 -2.056 18954 7954 1 19 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.383 0.016 18954 7955 1 19 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.009 -2.250 18954 7956 1 19 . 1 1 25 25 ILE CB C 25 37.870 37.870 38.691 -0.821 18954 7957 1 19 . 1 1 25 25 ILE H H 25 8.572 8.572 8.392 0.180 18954 7958 1 19 . 1 1 26 26 LEU N N 26 130.281 130.281 129.426 0.855 18954 7959 1 19 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.735 0.479 18954 7960 1 19 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.160 -3.049 18954 7961 1 19 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.698 -3.335 18954 7962 1 19 . 1 1 26 26 LEU H H 26 8.901 8.901 8.551 0.350 18954 7963 1 19 . 1 1 27 27 GLN N N 27 125.400 125.400 123.168 2.232 18954 7964 1 19 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.794 -0.021 18954 7965 1 19 . 1 1 27 27 GLN CB C 27 29.511 29.511 32.993 -3.482 18954 7966 1 19 . 1 1 27 27 GLN H H 27 9.330 9.330 8.344 0.986 18954 7967 1 19 . 1 1 28 28 CYS N N 28 124.065 124.065 119.510 4.555 18954 7968 1 19 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.807 0.316 18954 7969 1 19 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.051 -3.016 18954 7970 1 19 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.276 -1.097 18954 7971 1 19 . 1 1 28 28 CYS H H 28 8.585 8.585 7.975 0.610 18954 7972 1 19 . 1 1 29 29 SER N N 29 121.076 121.076 117.245 3.831 18954 7973 1 19 . 1 1 29 29 SER HA H 29 4.160 4.160 4.485 -0.325 18954 7974 1 19 . 1 1 29 29 SER CA C 29 57.073 57.073 59.228 -2.155 18954 7975 1 19 . 1 1 29 29 SER CB C 29 60.725 60.725 63.060 -2.335 18954 7976 1 19 . 1 1 29 29 SER H H 29 8.519 8.519 8.364 0.155 18954 7977 1 19 . 1 1 30 30 ILE N N 30 117.987 117.987 113.998 3.989 18954 7978 1 19 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.374 -0.066 18954 7979 1 19 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.645 -2.064 18954 7980 1 19 . 1 1 30 30 ILE CB C 30 39.391 39.391 40.532 -1.141 18954 7981 1 19 . 1 1 30 30 ILE H H 30 7.343 7.343 6.840 0.503 18954 7982 1 19 . 1 1 31 31 GLU N N 31 119.585 119.585 122.030 -2.445 18954 7983 1 19 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.339 -0.661 18954 7984 1 19 . 1 1 31 31 GLU CA C 31 54.224 54.224 57.428 -3.204 18954 7985 1 19 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.300 -2.939 18954 7986 1 19 . 1 1 31 31 GLU H H 31 7.901 7.901 8.403 -0.502 18954 7987 1 19 . 1 1 32 32 MET N N 32 126.504 126.504 124.864 1.640 18954 7988 1 19 . 1 1 32 32 MET HA H 32 4.297 4.297 4.704 -0.407 18954 7989 1 19 . 1 1 32 32 MET CA C 32 50.919 50.919 52.380 -1.461 18954 7990 1 19 . 1 1 32 32 MET CB C 32 32.696 32.696 33.206 -0.510 18954 7991 1 19 . 1 1 32 32 MET H H 32 8.406 8.406 8.501 -0.095 18954 7992 1 19 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.303 -0.112 18954 7993 1 19 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.053 -2.286 18954 7994 1 19 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.836 -1.810 18954 7995 1 19 . 1 1 34 34 ASN N N 34 107.313 107.313 115.571 -8.258 18954 7996 1 19 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.009 -0.193 18954 7997 1 19 . 1 1 34 34 ASN CA C 34 49.972 49.972 52.213 -2.241 18954 7998 1 19 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.472 -2.335 18954 7999 1 19 . 1 1 34 34 ASN H H 34 7.077 7.077 8.166 -1.089 18954 8000 1 19 . 1 1 35 35 ILE N N 35 122.015 122.015 122.130 -0.115 18954 8001 1 19 . 1 1 35 35 ILE HA H 35 3.943 3.943 4.049 -0.106 18954 8002 1 19 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.299 -1.524 18954 8003 1 19 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.665 -2.275 18954 8004 1 19 . 1 1 35 35 ILE H H 35 9.109 9.109 9.076 0.033 18954 8005 1 19 . 1 1 36 36 SER N N 36 119.851 119.851 116.046 3.805 18954 8006 1 19 . 1 1 36 36 SER HA H 36 4.366 4.366 4.447 -0.081 18954 8007 1 19 . 1 1 36 36 SER CA C 36 59.274 59.274 61.712 -2.438 18954 8008 1 19 . 1 1 36 36 SER CB C 36 59.818 59.818 62.441 -2.623 18954 8009 1 19 . 1 1 36 36 SER H H 36 8.936 8.936 8.482 0.454 18954 8010 1 19 . 1 1 37 37 TYR N N 37 122.338 122.338 121.787 0.551 18954 8011 1 19 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.170 0.033 18954 8012 1 19 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.662 -3.477 18954 8013 1 19 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.021 -1.628 18954 8014 1 19 . 1 1 37 37 TYR H H 37 7.808 7.808 8.163 -0.355 18954 8015 1 19 . 1 1 38 38 ALA N N 38 120.761 120.761 121.613 -0.852 18954 8016 1 19 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.589 0.282 18954 8017 1 19 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.720 -2.923 18954 8018 1 19 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.788 -1.132 18954 8019 1 19 . 1 1 38 38 ALA H H 38 7.364 7.364 7.935 -0.571 18954 8020 1 19 . 1 1 39 39 TRP N N 39 115.813 115.813 118.912 -3.099 18954 8021 1 19 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.037 0.039 18954 8022 1 19 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.970 -3.240 18954 8023 1 19 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.184 -1.472 18954 8024 1 19 . 1 1 39 39 TRP H H 39 7.134 7.134 7.673 -0.539 18954 8025 1 19 . 1 1 40 40 LYS N N 40 117.209 117.209 118.263 -1.054 18954 8026 1 19 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.869 -0.020 18954 8027 1 19 . 1 1 40 40 LYS CA C 40 56.984 56.984 59.955 -2.971 18954 8028 1 19 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.161 -2.172 18954 8029 1 19 . 1 1 40 40 LYS H H 40 8.091 8.091 8.318 -0.227 18954 8030 1 19 . 1 1 41 41 GLU N N 41 119.521 119.521 119.918 -0.397 18954 8031 1 19 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.925 0.029 18954 8032 1 19 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.073 -3.171 18954 8033 1 19 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.823 -2.901 18954 8034 1 19 . 1 1 41 41 GLU H H 41 6.674 6.674 7.612 -0.938 18954 8035 1 19 . 1 1 42 42 LEU N N 42 117.269 117.269 119.948 -2.679 18954 8036 1 19 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.169 -0.282 18954 8037 1 19 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.191 -2.351 18954 8038 1 19 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.857 -2.019 18954 8039 1 19 . 1 1 42 42 LEU H H 42 7.866 7.866 8.392 -0.526 18954 8040 1 19 . 1 1 43 43 LYS N N 43 117.633 117.633 118.962 -1.329 18954 8041 1 19 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.213 -0.244 18954 8042 1 19 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.145 -3.138 18954 8043 1 19 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.207 -2.115 18954 8044 1 19 . 1 1 43 43 LYS H H 43 8.458 8.458 8.321 0.137 18954 8045 1 19 . 1 1 44 44 GLU N N 44 120.906 120.906 119.587 1.319 18954 8046 1 19 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.016 -0.173 18954 8047 1 19 . 1 1 44 44 GLU CA C 44 56.955 56.955 59.016 -2.061 18954 8048 1 19 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.698 -2.843 18954 8049 1 19 . 1 1 44 44 GLU H H 44 8.013 8.013 7.875 0.138 18954 8050 1 19 . 1 1 45 45 GLN N N 45 113.584 113.584 116.355 -2.771 18954 8051 1 19 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.069 0.069 18954 8052 1 19 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.881 0.296 18954 8053 1 19 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.268 -1.732 18954 8054 1 19 . 1 1 45 45 GLN H H 45 7.665 7.665 8.088 -0.423 18954 8055 1 19 . 1 1 46 46 LEU N N 46 114.594 114.594 115.419 -0.825 18954 8056 1 19 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.595 -0.125 18954 8057 1 19 . 1 1 46 46 LEU CA C 46 51.929 51.929 54.706 -2.776 18954 8058 1 19 . 1 1 46 46 LEU CB C 46 39.636 39.636 43.181 -3.545 18954 8059 1 19 . 1 1 46 46 LEU H H 46 8.652 8.652 8.276 0.376 18954 8060 1 19 . 1 1 47 47 GLY N N 47 110.084 110.084 106.749 3.335 18954 8061 1 19 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.408 -2.570 18954 8062 1 19 . 1 1 47 47 GLY H H 47 7.642 7.642 7.246 0.396 18954 8063 1 19 . 1 1 48 48 GLU N N 48 118.535 118.535 122.180 -3.645 18954 8064 1 19 . 1 1 48 48 GLU HA H 48 3.712 3.712 3.988 -0.276 18954 8065 1 19 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.737 -2.315 18954 8066 1 19 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.850 -2.385 18954 8067 1 19 . 1 1 48 48 GLU H H 48 8.348 8.348 8.796 -0.449 18954 8068 1 19 . 1 1 49 49 GLU N N 49 114.460 114.460 117.700 -3.240 18954 8069 1 19 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.212 0.161 18954 8070 1 19 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.420 -2.007 18954 8071 1 19 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.121 -2.160 18954 8072 1 19 . 1 1 49 49 GLU H H 49 8.498 8.498 8.347 0.151 18954 8073 1 19 . 1 1 50 50 ILE N N 50 121.524 121.524 121.635 -0.111 18954 8074 1 19 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.842 0.260 18954 8075 1 19 . 1 1 50 50 ILE CA C 50 57.703 57.703 62.478 -4.775 18954 8076 1 19 . 1 1 50 50 ILE CB C 50 35.737 35.737 37.908 -2.171 18954 8077 1 19 . 1 1 50 50 ILE H H 50 7.617 7.617 7.434 0.183 18954 8078 1 19 . 1 1 51 51 ASP N N 51 119.881 119.881 120.390 -0.509 18954 8079 1 19 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.508 -0.208 18954 8080 1 19 . 1 1 51 51 ASP CA C 51 53.532 53.532 57.126 -3.594 18954 8081 1 19 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.622 -2.424 18954 8082 1 19 . 1 1 51 51 ASP H H 51 7.926 7.926 8.395 -0.469 18954 8083 1 19 . 1 1 52 52 SER N N 52 113.164 113.164 115.300 -2.136 18954 8084 1 19 . 1 1 52 52 SER HA H 52 4.403 4.403 4.236 0.167 18954 8085 1 19 . 1 1 52 52 SER CA C 52 56.968 56.968 60.920 -3.952 18954 8086 1 19 . 1 1 52 52 SER CB C 52 61.183 61.183 63.199 -2.016 18954 8087 1 19 . 1 1 52 52 SER H H 52 7.888 7.888 8.081 -0.193 18954 8088 1 19 . 1 1 53 53 LYS N N 53 120.411 120.411 116.673 3.738 18954 8089 1 19 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.559 -0.105 18954 8090 1 19 . 1 1 53 53 LYS CA C 53 53.813 53.813 55.115 -1.302 18954 8091 1 19 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.369 -1.010 18954 8092 1 19 . 1 1 53 53 LYS H H 53 7.714 7.714 7.931 -0.217 18954 8093 1 19 . 1 1 54 54 VAL N N 54 116.701 116.701 119.291 -2.590 18954 8094 1 19 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.807 -0.340 18954 8095 1 19 . 1 1 54 54 VAL CA C 54 59.565 59.565 61.208 -1.643 18954 8096 1 19 . 1 1 54 54 VAL CB C 54 30.833 30.833 34.172 -3.339 18954 8097 1 19 . 1 1 54 54 VAL H H 54 7.041 7.041 7.587 -0.546 18954 8098 1 19 . 1 1 55 55 LYS N N 55 125.891 125.891 124.095 1.796 18954 8099 1 19 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.726 0.022 18954 8100 1 19 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.773 -3.171 18954 8101 1 19 . 1 1 55 55 LYS CB C 55 33.288 33.288 36.308 -3.020 18954 8102 1 19 . 1 1 55 55 LYS H H 55 9.138 9.138 8.860 0.278 18954 8103 1 19 . 1 1 56 56 GLY N N 56 109.312 109.312 108.217 1.095 18954 8104 1 19 . 1 1 56 56 GLY CA C 56 44.716 44.716 46.188 -1.472 18954 8105 1 19 . 1 1 56 56 GLY H H 56 8.489 8.489 8.783 -0.294 18954 8106 1 19 . 1 1 57 57 MET N N 57 118.391 118.391 120.927 -2.536 18954 8107 1 19 . 1 1 57 57 MET HA H 57 4.930 4.930 4.730 0.200 18954 8108 1 19 . 1 1 57 57 MET CA C 57 53.906 53.906 56.441 -2.535 18954 8109 1 19 . 1 1 57 57 MET CB C 57 30.841 30.841 33.231 -2.390 18954 8110 1 19 . 1 1 57 57 MET H H 57 8.039 8.039 7.631 0.408 18954 8111 1 19 . 1 1 58 58 VAL N N 58 124.257 124.257 120.843 3.414 18954 8112 1 19 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.602 -0.153 18954 8113 1 19 . 1 1 58 58 VAL CA C 58 57.050 57.050 60.143 -3.093 18954 8114 1 19 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.488 -0.632 18954 8115 1 19 . 1 1 58 58 VAL H H 58 8.780 8.780 8.855 -0.075 18954 8116 1 19 . 1 1 59 59 PHE N N 59 120.512 120.512 123.860 -3.348 18954 8117 1 19 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.481 0.494 18954 8118 1 19 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.588 -3.024 18954 8119 1 19 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.780 -2.090 18954 8120 1 19 . 1 1 59 59 PHE H H 59 8.432 8.432 8.625 -0.193 18954 8121 1 19 . 1 1 60 60 LEU N N 60 120.934 120.934 122.725 -1.791 18954 8122 1 19 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.770 -0.394 18954 8123 1 19 . 1 1 60 60 LEU CA C 60 51.227 51.227 53.348 -2.121 18954 8124 1 19 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.776 -3.251 18954 8125 1 19 . 1 1 60 60 LEU H H 60 8.291 8.291 8.800 -0.509 18954 8126 1 19 . 1 1 61 61 LYS N N 61 122.117 122.117 121.456 0.661 18954 8127 1 19 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.051 -0.070 18954 8128 1 19 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.935 -2.392 18954 8129 1 19 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.957 -3.315 18954 8130 1 19 . 1 1 61 61 LYS H H 61 8.371 8.371 8.559 -0.188 18954 8131 1 19 . 1 1 62 62 GLY N N 62 114.590 114.590 113.475 1.115 18954 8132 1 19 . 1 1 62 62 GLY CA C 62 42.972 42.972 45.493 -2.521 18954 8133 1 19 . 1 1 62 62 GLY H H 62 8.870 8.870 8.899 -0.029 18954 8134 1 19 . 1 1 63 63 LYS N N 63 111.406 111.406 116.364 -4.958 18954 8135 1 19 . 1 1 63 63 LYS H H 63 8.129 8.129 7.838 0.291 18954 8136 1 19 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.786 -0.320 18954 8137 1 19 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.255 -1.984 18954 8138 1 19 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.644 -4.188 18954 8139 1 19 . 1 1 65 65 GLY N N 65 105.164 105.164 104.881 0.283 18954 8140 1 19 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.453 -2.861 18954 8141 1 19 . 1 1 65 65 GLY H H 65 7.375 7.375 7.367 0.008 18954 8142 1 19 . 1 1 66 66 VAL N N 66 111.490 111.490 118.257 -6.767 18954 8143 1 19 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.942 0.449 18954 8144 1 19 . 1 1 66 66 VAL CA C 66 56.267 56.267 60.110 -3.843 18954 8145 1 19 . 1 1 66 66 VAL CB C 66 34.051 34.051 36.467 -2.416 18954 8146 1 19 . 1 1 66 66 VAL H H 66 9.127 9.127 8.270 0.857 18954 8147 1 19 . 1 1 67 67 CYS N N 67 116.847 116.847 122.006 -5.159 18954 8148 1 19 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.079 0.415 18954 8149 1 19 . 1 1 67 67 CYS CA C 67 52.870 52.870 56.592 -3.722 18954 8150 1 19 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.572 -3.087 18954 8151 1 19 . 1 1 67 67 CYS H H 67 8.914 8.914 8.568 0.346 18954 8152 1 19 . 1 1 68 68 PHE N N 68 116.013 116.013 115.168 0.845 18954 8153 1 19 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.750 -0.110 18954 8154 1 19 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.591 -2.955 18954 8155 1 19 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.538 -3.575 18954 8156 1 19 . 1 1 68 68 PHE H H 68 8.118 8.118 8.306 -0.188 18954 8157 1 19 . 1 1 69 69 ASP N N 69 119.562 119.562 120.412 -0.850 18954 8158 1 19 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.548 0.189 18954 8159 1 19 . 1 1 69 69 ASP CA C 69 50.163 50.163 53.951 -3.788 18954 8160 1 19 . 1 1 69 69 ASP CB C 69 40.589 40.589 44.037 -3.448 18954 8161 1 19 . 1 1 69 69 ASP H H 69 8.999 8.999 8.847 0.152 18954 8162 1 19 . 1 1 70 70 VAL N N 70 114.283 114.283 114.657 -0.374 18954 8163 1 19 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.968 0.366 18954 8164 1 19 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.439 -2.475 18954 8165 1 19 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.381 -2.845 18954 8166 1 19 . 1 1 70 70 VAL H H 70 8.913 8.913 8.966 -0.053 18954 8167 1 19 . 1 1 71 71 PRO HA H 71 4.227 4.227 4.218 0.009 18954 8168 1 19 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.990 -2.152 18954 8169 1 19 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.046 -1.573 18954 8170 1 19 . 1 1 72 72 THR N N 72 121.039 121.039 122.899 -1.860 18954 8171 1 19 . 1 1 72 72 THR HA H 72 3.597 3.597 3.800 -0.203 18954 8172 1 19 . 1 1 72 72 THR CA C 72 63.671 63.671 67.007 -3.336 18954 8173 1 19 . 1 1 72 72 THR CB C 72 65.826 65.826 68.319 -2.493 18954 8174 1 19 . 1 1 72 72 THR H H 72 8.235 8.235 8.073 0.162 18954 8175 1 19 . 1 1 73 73 ALA N N 73 120.196 120.196 120.641 -0.445 18954 8176 1 19 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.586 -0.443 18954 8177 1 19 . 1 1 73 73 ALA CA C 73 51.471 51.471 53.629 -2.158 18954 8178 1 19 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.124 -2.029 18954 8179 1 19 . 1 1 73 73 ALA H H 73 8.466 8.466 7.927 0.539 18954 8180 1 19 . 1 1 74 74 SER N N 74 112.214 112.214 112.350 -0.136 18954 8181 1 19 . 1 1 74 74 SER HA H 74 4.552 4.552 4.590 -0.038 18954 8182 1 19 . 1 1 74 74 SER CA C 74 57.492 57.492 59.326 -1.834 18954 8183 1 19 . 1 1 74 74 SER CB C 74 62.101 62.101 64.321 -2.220 18954 8184 1 19 . 1 1 74 74 SER H H 74 8.019 8.019 7.837 0.182 18954 8185 1 19 . 1 1 75 75 VAL N N 75 121.652 121.652 123.284 -1.632 18954 8186 1 19 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.630 -0.375 18954 8187 1 19 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.312 -1.305 18954 8188 1 19 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.074 -1.724 18954 8189 1 19 . 1 1 75 75 VAL H H 75 7.222 7.222 7.691 -0.469 18954 8190 1 19 . 1 1 76 76 THR N N 76 113.812 113.812 115.410 -1.598 18954 8191 1 19 . 1 1 76 76 THR HA H 76 3.963 3.963 3.848 0.115 18954 8192 1 19 . 1 1 76 76 THR CA C 76 63.804 63.804 67.218 -3.414 18954 8193 1 19 . 1 1 76 76 THR CB C 76 65.567 65.567 68.395 -2.828 18954 8194 1 19 . 1 1 76 76 THR H H 76 8.107 8.107 8.014 0.093 18954 8195 1 19 . 1 1 77 77 GLU N N 77 121.634 121.634 120.895 0.739 18954 8196 1 19 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.106 -0.073 18954 8197 1 19 . 1 1 77 77 GLU CA C 77 56.356 56.356 59.312 -2.956 18954 8198 1 19 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.173 -2.141 18954 8199 1 19 . 1 1 77 77 GLU H H 77 7.737 7.737 8.210 -0.473 18954 8200 1 19 . 1 1 78 78 ILE N N 78 119.383 119.383 121.085 -1.702 18954 8201 1 19 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.802 -0.191 18954 8202 1 19 . 1 1 78 78 ILE CA C 78 63.089 63.089 64.454 -1.365 18954 8203 1 19 . 1 1 78 78 ILE CB C 78 35.616 35.616 37.892 -2.276 18954 8204 1 19 . 1 1 78 78 ILE H H 78 7.694 7.694 7.420 0.274 18954 8205 1 19 . 1 1 79 79 GLN N N 79 116.015 116.015 117.457 -1.442 18954 8206 1 19 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.010 -0.082 18954 8207 1 19 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.819 -2.151 18954 8208 1 19 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.597 -2.190 18954 8209 1 19 . 1 1 79 79 GLN H H 79 8.319 8.319 8.407 -0.088 18954 8210 1 19 . 1 1 80 80 GLU N N 80 116.824 116.824 117.690 -0.866 18954 8211 1 19 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.237 -0.170 18954 8212 1 19 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.311 -2.720 18954 8213 1 19 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.665 -2.236 18954 8214 1 19 . 1 1 80 80 GLU H H 80 7.884 7.884 7.788 0.096 18954 8215 1 19 . 1 1 81 81 LYS N N 81 118.113 118.113 116.217 1.896 18954 8216 1 19 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.485 -0.291 18954 8217 1 19 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.924 -1.081 18954 8218 1 19 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.312 -0.536 18954 8219 1 19 . 1 1 81 81 LYS H H 81 7.396 7.396 7.643 -0.247 18954 8220 1 19 . 1 1 82 82 TRP N N 82 119.572 119.572 121.672 -2.100 18954 8221 1 19 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.782 -0.670 18954 8222 1 19 . 1 1 82 82 TRP CA C 82 55.919 55.919 57.211 -1.292 18954 8223 1 19 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.691 -3.238 18954 8224 1 19 . 1 1 82 82 TRP H H 82 7.966 7.966 7.593 0.373 18954 8225 1 19 . 1 1 83 83 HIS N N 83 126.139 126.139 126.461 -0.322 18954 8226 1 19 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.814 -0.150 18954 8227 1 19 . 1 1 83 83 HIS CA C 83 51.655 51.655 55.294 -3.639 18954 8228 1 19 . 1 1 83 83 HIS CB C 83 28.017 28.017 31.843 -3.826 18954 8229 1 19 . 1 1 83 83 HIS H H 83 8.566 8.566 8.054 0.512 18954 8230 1 19 . 1 1 84 84 ASP N N 84 125.751 125.751 121.535 4.216 18954 8231 1 19 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.658 0.341 18954 8232 1 19 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.312 -2.692 18954 8233 1 19 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.376 -1.635 18954 8234 1 19 . 1 1 84 84 ASP H H 84 8.913 8.913 8.668 0.245 18954 8235 1 19 . 1 1 85 85 SER N N 85 116.332 116.332 116.868 -0.536 18954 8236 1 19 . 1 1 85 85 SER HA H 85 4.924 4.924 4.649 0.275 18954 8237 1 19 . 1 1 85 85 SER CA C 85 53.657 53.657 56.919 -3.262 18954 8238 1 19 . 1 1 85 85 SER CB C 85 64.982 64.982 64.746 0.237 18954 8239 1 19 . 1 1 85 85 SER H H 85 9.621 9.621 8.377 1.244 18954 8240 1 19 . 1 1 86 86 ARG N N 86 118.680 118.680 122.943 -4.263 18954 8241 1 19 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.210 -0.152 18954 8242 1 19 . 1 1 86 86 ARG CA C 86 55.847 55.847 59.116 -3.269 18954 8243 1 19 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.378 -3.247 18954 8244 1 19 . 1 1 86 86 ARG H H 86 8.695 8.695 8.960 -0.265 18954 8245 1 19 . 1 1 87 87 ARG N N 87 117.323 117.323 117.386 -0.063 18954 8246 1 19 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.480 -0.204 18954 8247 1 19 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.557 -1.568 18954 8248 1 19 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.134 -2.552 18954 8249 1 19 . 1 1 87 87 ARG H H 87 7.710 7.710 8.202 -0.492 18954 8250 1 19 . 1 1 88 88 TRP N N 88 115.976 115.976 120.013 -4.037 18954 8251 1 19 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.444 0.433 18954 8252 1 19 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.233 -3.822 18954 8253 1 19 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.027 0.083 18954 8254 1 19 . 1 1 88 88 TRP H H 88 7.374 7.374 7.797 -0.423 18954 8255 1 19 . 1 1 89 89 GLN N N 89 118.426 118.426 120.272 -1.846 18954 8256 1 19 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.078 0.449 18954 8257 1 19 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.858 -2.193 18954 8258 1 19 . 1 1 89 89 GLN CB C 89 29.926 29.926 32.058 -2.132 18954 8259 1 19 . 1 1 89 89 GLN H H 89 8.803 8.803 8.511 0.292 18954 8260 1 19 . 1 1 90 90 LEU N N 90 127.680 127.680 121.531 6.149 18954 8261 1 19 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.797 0.432 18954 8262 1 19 . 1 1 90 90 LEU CA C 90 50.846 50.846 53.454 -2.608 18954 8263 1 19 . 1 1 90 90 LEU CB C 90 39.965 39.965 44.487 -4.522 18954 8264 1 19 . 1 1 90 90 LEU H H 90 8.518 8.518 8.537 -0.019 18954 8265 1 19 . 1 1 91 91 SER N N 91 121.513 121.513 114.046 7.467 18954 8266 1 19 . 1 1 91 91 SER HA H 91 4.639 4.639 4.549 0.090 18954 8267 1 19 . 1 1 91 91 SER CA C 91 54.241 54.241 57.425 -3.184 18954 8268 1 19 . 1 1 91 91 SER CB C 91 63.274 63.274 64.896 -1.622 18954 8269 1 19 . 1 1 91 91 SER H H 91 8.979 8.979 8.099 0.880 18954 8270 1 19 . 1 1 92 92 VAL N N 92 120.290 120.290 121.160 -0.870 18954 8271 1 19 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.097 0.019 18954 8272 1 19 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.705 0.185 18954 8273 1 19 . 1 1 92 92 VAL CB C 92 30.225 30.225 34.739 -4.514 18954 8274 1 19 . 1 1 92 92 VAL H H 92 8.277 8.277 8.280 -0.003 18954 8275 1 19 . 1 1 93 93 ALA N N 93 130.076 130.076 128.941 1.135 18954 8276 1 19 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.470 -0.291 18954 8277 1 19 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.781 -2.588 18954 8278 1 19 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.072 -2.452 18954 8279 1 19 . 1 1 93 93 ALA H H 93 8.521 8.521 8.287 0.234 18954 8280 1 19 . 1 1 94 94 THR N N 94 113.705 113.705 111.806 1.899 18954 8281 1 19 . 1 1 94 94 THR HA H 94 4.190 4.190 4.401 -0.211 18954 8282 1 19 . 1 1 94 94 THR CA C 94 65.409 65.409 62.602 2.807 18954 8283 1 19 . 1 1 94 94 THR CB C 94 67.702 67.702 69.026 -1.324 18954 8284 1 19 . 1 1 94 94 THR H H 94 8.099 8.099 8.521 -0.422 18954 8285 1 20 . 1 1 3 3 ILE N N 3 123.622 123.622 122.556 1.066 18954 8286 1 20 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.310 -0.195 18954 8287 1 20 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.442 -3.140 18954 8288 1 20 . 1 1 3 3 ILE CB C 3 36.212 36.212 38.830 -2.618 18954 8289 1 20 . 1 1 3 3 ILE H H 3 8.271 8.271 7.953 0.318 18954 8290 1 20 . 1 1 4 4 SER N N 4 120.605 120.605 124.395 -3.790 18954 8291 1 20 . 1 1 4 4 SER HA H 4 4.368 4.368 4.465 -0.097 18954 8292 1 20 . 1 1 4 4 SER CA C 4 55.796 55.796 58.082 -2.286 18954 8293 1 20 . 1 1 4 4 SER CB C 4 60.945 60.945 62.084 -1.139 18954 8294 1 20 . 1 1 4 4 SER H H 4 8.425 8.425 9.266 -0.841 18954 8295 1 20 . 1 1 5 5 GLY N N 5 111.455 111.455 112.080 -0.625 18954 8296 1 20 . 1 1 5 5 GLY CA C 5 42.781 42.781 46.703 -3.922 18954 8297 1 20 . 1 1 5 5 GLY H H 5 8.406 8.406 8.364 0.042 18954 8298 1 20 . 1 1 6 6 ALA N N 6 123.660 123.660 126.585 -2.925 18954 8299 1 20 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.531 -0.212 18954 8300 1 20 . 1 1 6 6 ALA CA C 6 49.894 49.894 51.929 -2.035 18954 8301 1 20 . 1 1 6 6 ALA CB C 6 16.928 16.928 20.530 -3.602 18954 8302 1 20 . 1 1 6 6 ALA H H 6 8.103 8.103 8.043 0.060 18954 8303 1 20 . 1 1 7 7 THR N N 7 113.014 113.014 114.099 -1.085 18954 8304 1 20 . 1 1 7 7 THR HA H 7 4.309 4.309 4.584 -0.275 18954 8305 1 20 . 1 1 7 7 THR CA C 7 58.886 58.886 61.780 -2.894 18954 8306 1 20 . 1 1 7 7 THR CB C 7 67.461 67.461 69.112 -1.651 18954 8307 1 20 . 1 1 7 7 THR H H 7 8.108 8.108 8.140 -0.032 18954 8308 1 20 . 1 1 8 8 SER N N 8 118.032 118.032 119.635 -1.603 18954 8309 1 20 . 1 1 8 8 SER HA H 8 4.434 4.434 4.725 -0.291 18954 8310 1 20 . 1 1 8 8 SER CA C 8 55.537 55.537 57.625 -2.088 18954 8311 1 20 . 1 1 8 8 SER CB C 8 61.305 61.305 65.126 -3.821 18954 8312 1 20 . 1 1 8 8 SER H H 8 8.222 8.222 8.385 -0.163 18954 8313 1 20 . 1 1 9 9 VAL N N 9 121.129 121.129 120.910 0.219 18954 8314 1 20 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.383 -0.361 18954 8315 1 20 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.710 -2.696 18954 8316 1 20 . 1 1 9 9 VAL CB C 9 30.139 30.139 32.666 -2.527 18954 8317 1 20 . 1 1 9 9 VAL H H 9 8.098 8.098 8.401 -0.303 18954 8318 1 20 . 1 1 10 10 ASP N N 10 123.102 123.102 120.705 2.397 18954 8319 1 20 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.813 -0.310 18954 8320 1 20 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.425 -2.790 18954 8321 1 20 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.347 -2.676 18954 8322 1 20 . 1 1 10 10 ASP H H 10 8.242 8.242 8.294 -0.052 18954 8323 1 20 . 1 1 11 11 GLN N N 11 121.449 121.449 119.711 1.738 18954 8324 1 20 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.594 -0.429 18954 8325 1 20 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.173 -1.400 18954 8326 1 20 . 1 1 11 11 GLN CB C 11 26.558 26.558 29.954 -3.396 18954 8327 1 20 . 1 1 11 11 GLN H H 11 8.247 8.247 8.072 0.175 18954 8328 1 20 . 1 1 12 12 ARG N N 12 121.029 121.029 122.600 -1.571 18954 8329 1 20 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.627 -0.400 18954 8330 1 20 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.123 3.511 18954 8331 1 20 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.518 -3.234 18954 8332 1 20 . 1 1 12 12 ARG H H 12 8.215 8.215 8.738 -0.523 18954 8333 1 20 . 1 1 13 13 SER N N 13 121.168 121.168 114.802 6.366 18954 8334 1 20 . 1 1 13 13 SER HA H 13 4.327 4.327 4.739 -0.412 18954 8335 1 20 . 1 1 13 13 SER CA C 13 56.317 56.317 57.331 -1.014 18954 8336 1 20 . 1 1 13 13 SER CB C 13 61.153 61.153 65.728 -4.575 18954 8337 1 20 . 1 1 13 13 SER H H 13 8.483 8.483 7.851 0.632 18954 8338 1 20 . 1 1 14 14 LEU N N 14 115.731 115.731 123.169 -7.438 18954 8339 1 20 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.286 -0.039 18954 8340 1 20 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.514 -3.641 18954 8341 1 20 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.503 -1.814 18954 8342 1 20 . 1 1 14 14 LEU H H 14 8.124 8.124 8.455 -0.331 18954 8343 1 20 . 1 1 15 15 ILE N N 15 119.991 119.991 112.407 7.584 18954 8344 1 20 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.463 -0.466 18954 8345 1 20 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.394 -1.554 18954 8346 1 20 . 1 1 15 15 ILE CB C 15 36.205 36.205 38.185 -1.980 18954 8347 1 20 . 1 1 15 15 ILE H H 15 7.859 7.859 7.423 0.436 18954 8348 1 20 . 1 1 16 16 ASN N N 16 120.780 120.780 122.412 -1.632 18954 8349 1 20 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.524 0.189 18954 8350 1 20 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.243 -1.790 18954 8351 1 20 . 1 1 16 16 ASN H H 16 8.014 8.014 8.307 -0.293 18954 8352 1 20 . 1 1 17 17 SER N N 17 115.640 115.640 111.221 4.419 18954 8353 1 20 . 1 1 17 17 SER HA H 17 4.300 4.300 4.515 -0.215 18954 8354 1 20 . 1 1 17 17 SER CA C 17 56.001 56.001 58.145 -2.144 18954 8355 1 20 . 1 1 17 17 SER CB C 17 60.894 60.894 64.312 -3.418 18954 8356 1 20 . 1 1 17 17 SER H H 17 8.121 8.121 7.828 0.293 18954 8357 1 20 . 1 1 18 18 ASN N N 18 121.876 121.876 121.419 0.457 18954 8358 1 20 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.961 -0.230 18954 8359 1 20 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.723 -3.430 18954 8360 1 20 . 1 1 18 18 ASN H H 18 8.376 8.376 8.208 0.168 18954 8361 1 20 . 1 1 19 19 VAL N N 19 120.480 120.480 118.773 1.707 18954 8362 1 20 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.296 -0.267 18954 8363 1 20 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.194 -0.846 18954 8364 1 20 . 1 1 19 19 VAL CB C 19 29.903 29.903 34.746 -4.843 18954 8365 1 20 . 1 1 19 19 VAL H H 19 8.022 8.022 7.510 0.512 18954 8366 1 20 . 1 1 20 20 GLY N N 20 112.265 112.265 110.586 1.679 18954 8367 1 20 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.493 -2.795 18954 8368 1 20 . 1 1 20 20 GLY H H 20 8.567 8.567 8.376 0.191 18954 8369 1 20 . 1 1 21 21 PHE N N 21 119.701 119.701 119.097 0.604 18954 8370 1 20 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.397 -0.264 18954 8371 1 20 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.365 -3.007 18954 8372 1 20 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.714 -2.820 18954 8373 1 20 . 1 1 21 21 PHE H H 21 7.917 7.917 7.705 0.212 18954 8374 1 20 . 1 1 22 22 VAL N N 22 120.733 120.733 121.847 -1.114 18954 8375 1 20 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.609 -0.348 18954 8376 1 20 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.022 -2.050 18954 8377 1 20 . 1 1 22 22 VAL CB C 22 33.078 33.078 36.760 -3.682 18954 8378 1 20 . 1 1 22 22 VAL H H 22 9.221 9.221 9.306 -0.085 18954 8379 1 20 . 1 1 23 23 THR N N 23 123.388 123.388 123.381 0.007 18954 8380 1 20 . 1 1 23 23 THR HA H 23 4.967 4.967 4.624 0.343 18954 8381 1 20 . 1 1 23 23 THR CA C 23 59.731 59.731 63.611 -3.881 18954 8382 1 20 . 1 1 23 23 THR CB C 23 66.715 66.715 69.271 -2.556 18954 8383 1 20 . 1 1 23 23 THR H H 23 8.403 8.403 8.329 0.074 18954 8384 1 20 . 1 1 24 24 MET N N 24 125.957 125.957 122.318 3.639 18954 8385 1 20 . 1 1 24 24 MET HA H 24 4.702 4.702 4.750 -0.048 18954 8386 1 20 . 1 1 24 24 MET CA C 24 51.056 51.056 54.446 -3.389 18954 8387 1 20 . 1 1 24 24 MET CB C 24 32.115 32.115 36.859 -4.745 18954 8388 1 20 . 1 1 24 24 MET H H 24 9.289 9.289 8.862 0.427 18954 8389 1 20 . 1 1 25 25 ILE N N 25 117.652 117.652 119.348 -1.696 18954 8390 1 20 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.427 -0.028 18954 8391 1 20 . 1 1 25 25 ILE CA C 25 56.759 56.759 58.777 -2.018 18954 8392 1 20 . 1 1 25 25 ILE CB C 25 37.870 37.870 39.108 -1.238 18954 8393 1 20 . 1 1 25 25 ILE H H 25 8.572 8.572 8.471 0.101 18954 8394 1 20 . 1 1 26 26 LEU N N 26 130.281 130.281 126.574 3.707 18954 8395 1 20 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.721 0.493 18954 8396 1 20 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.695 -3.584 18954 8397 1 20 . 1 1 26 26 LEU CB C 26 41.363 41.363 45.636 -4.273 18954 8398 1 20 . 1 1 26 26 LEU H H 26 8.901 8.901 8.252 0.649 18954 8399 1 20 . 1 1 27 27 GLN N N 27 125.400 125.400 118.910 6.490 18954 8400 1 20 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.788 -0.015 18954 8401 1 20 . 1 1 27 27 GLN CB C 27 29.511 29.511 33.480 -3.969 18954 8402 1 20 . 1 1 27 27 GLN H H 27 9.330 9.330 8.633 0.697 18954 8403 1 20 . 1 1 28 28 CYS N N 28 124.065 124.065 120.465 3.600 18954 8404 1 20 . 1 1 28 28 CYS HA H 28 5.123 5.123 5.097 0.026 18954 8405 1 20 . 1 1 28 28 CYS CA C 28 53.035 53.035 56.271 -3.236 18954 8406 1 20 . 1 1 28 28 CYS CB C 28 29.179 29.179 30.417 -1.238 18954 8407 1 20 . 1 1 28 28 CYS H H 28 8.585 8.585 8.310 0.275 18954 8408 1 20 . 1 1 29 29 SER N N 29 121.076 121.076 117.631 3.445 18954 8409 1 20 . 1 1 29 29 SER HA H 29 4.160 4.160 4.253 -0.093 18954 8410 1 20 . 1 1 29 29 SER CA C 29 57.073 57.073 59.737 -2.664 18954 8411 1 20 . 1 1 29 29 SER CB C 29 60.725 60.725 63.201 -2.476 18954 8412 1 20 . 1 1 29 29 SER H H 29 8.519 8.519 8.222 0.297 18954 8413 1 20 . 1 1 30 30 ILE N N 30 117.987 117.987 113.370 4.617 18954 8414 1 20 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.468 -0.160 18954 8415 1 20 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.222 -1.641 18954 8416 1 20 . 1 1 30 30 ILE CB C 30 39.391 39.391 40.899 -1.508 18954 8417 1 20 . 1 1 30 30 ILE H H 30 7.343 7.343 6.921 0.422 18954 8418 1 20 . 1 1 31 31 GLU N N 31 119.585 119.585 121.142 -1.557 18954 8419 1 20 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.632 -0.954 18954 8420 1 20 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.147 -1.923 18954 8421 1 20 . 1 1 31 31 GLU CB C 31 27.361 27.361 31.279 -3.918 18954 8422 1 20 . 1 1 31 31 GLU H H 31 7.901 7.901 8.319 -0.418 18954 8423 1 20 . 1 1 32 32 MET N N 32 126.504 126.504 123.299 3.205 18954 8424 1 20 . 1 1 32 32 MET HA H 32 4.297 4.297 4.231 0.066 18954 8425 1 20 . 1 1 32 32 MET CA C 32 50.919 50.919 52.394 -1.475 18954 8426 1 20 . 1 1 32 32 MET CB C 32 32.696 32.696 32.719 -0.023 18954 8427 1 20 . 1 1 32 32 MET H H 32 8.406 8.406 8.106 0.300 18954 8428 1 20 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.188 0.003 18954 8429 1 20 . 1 1 33 33 PRO CA C 33 61.767 61.767 63.897 -2.130 18954 8430 1 20 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.609 -1.583 18954 8431 1 20 . 1 1 34 34 ASN N N 34 107.313 107.313 114.717 -7.404 18954 8432 1 20 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.027 -0.211 18954 8433 1 20 . 1 1 34 34 ASN CA C 34 49.972 49.972 52.069 -2.097 18954 8434 1 20 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.649 -2.512 18954 8435 1 20 . 1 1 34 34 ASN H H 34 7.077 7.077 7.792 -0.715 18954 8436 1 20 . 1 1 35 35 ILE N N 35 122.015 122.015 121.677 0.338 18954 8437 1 20 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.964 -0.021 18954 8438 1 20 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.495 -1.720 18954 8439 1 20 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.262 -1.872 18954 8440 1 20 . 1 1 35 35 ILE H H 35 9.109 9.109 9.261 -0.152 18954 8441 1 20 . 1 1 36 36 SER N N 36 119.851 119.851 115.893 3.958 18954 8442 1 20 . 1 1 36 36 SER HA H 36 4.366 4.366 4.500 -0.134 18954 8443 1 20 . 1 1 36 36 SER CA C 36 59.274 59.274 60.463 -1.189 18954 8444 1 20 . 1 1 36 36 SER CB C 36 59.818 59.818 62.831 -3.013 18954 8445 1 20 . 1 1 36 36 SER H H 36 8.936 8.936 8.192 0.744 18954 8446 1 20 . 1 1 37 37 TYR N N 37 122.338 122.338 122.276 0.062 18954 8447 1 20 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.272 -0.069 18954 8448 1 20 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.478 -3.293 18954 8449 1 20 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.146 -1.753 18954 8450 1 20 . 1 1 37 37 TYR H H 37 7.808 7.808 8.367 -0.559 18954 8451 1 20 . 1 1 38 38 ALA N N 38 120.761 120.761 121.925 -1.164 18954 8452 1 20 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.880 -0.009 18954 8453 1 20 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.953 -3.156 18954 8454 1 20 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.842 -1.186 18954 8455 1 20 . 1 1 38 38 ALA H H 38 7.364 7.364 7.924 -0.560 18954 8456 1 20 . 1 1 39 39 TRP N N 39 115.813 115.813 118.314 -2.501 18954 8457 1 20 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.111 -0.035 18954 8458 1 20 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.889 -3.159 18954 8459 1 20 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.230 -1.518 18954 8460 1 20 . 1 1 39 39 TRP H H 39 7.134 7.134 7.777 -0.643 18954 8461 1 20 . 1 1 40 40 LYS N N 40 117.209 117.209 118.147 -0.938 18954 8462 1 20 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.862 -0.013 18954 8463 1 20 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.514 -3.530 18954 8464 1 20 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.081 -2.092 18954 8465 1 20 . 1 1 40 40 LYS H H 40 8.091 8.091 7.996 0.095 18954 8466 1 20 . 1 1 41 41 GLU N N 41 119.521 119.521 119.331 0.190 18954 8467 1 20 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.932 0.022 18954 8468 1 20 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.074 -3.172 18954 8469 1 20 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.677 -2.755 18954 8470 1 20 . 1 1 41 41 GLU H H 41 6.674 6.674 7.472 -0.798 18954 8471 1 20 . 1 1 42 42 LEU N N 42 117.269 117.269 119.863 -2.594 18954 8472 1 20 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.205 -0.318 18954 8473 1 20 . 1 1 42 42 LEU CA C 42 55.840 55.840 57.974 -2.134 18954 8474 1 20 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.060 -1.222 18954 8475 1 20 . 1 1 42 42 LEU H H 42 7.866 7.866 8.210 -0.344 18954 8476 1 20 . 1 1 43 43 LYS N N 43 117.633 117.633 119.540 -1.907 18954 8477 1 20 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.295 -0.326 18954 8478 1 20 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.562 -3.555 18954 8479 1 20 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.278 -2.186 18954 8480 1 20 . 1 1 43 43 LYS H H 43 8.458 8.458 8.207 0.251 18954 8481 1 20 . 1 1 44 44 GLU N N 44 120.906 120.906 118.062 2.844 18954 8482 1 20 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.095 -0.252 18954 8483 1 20 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.779 -1.824 18954 8484 1 20 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.650 -2.795 18954 8485 1 20 . 1 1 44 44 GLU H H 44 8.013 8.013 8.281 -0.268 18954 8486 1 20 . 1 1 45 45 GLN N N 45 113.584 113.584 117.356 -3.772 18954 8487 1 20 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.306 -0.168 18954 8488 1 20 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.444 0.733 18954 8489 1 20 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.686 -2.150 18954 8490 1 20 . 1 1 45 45 GLN H H 45 7.665 7.665 7.639 0.026 18954 8491 1 20 . 1 1 46 46 LEU N N 46 114.594 114.594 116.491 -1.897 18954 8492 1 20 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.348 0.122 18954 8493 1 20 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.340 -3.411 18954 8494 1 20 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.706 -3.070 18954 8495 1 20 . 1 1 46 46 LEU H H 46 8.652 8.652 8.125 0.527 18954 8496 1 20 . 1 1 47 47 GLY N N 47 110.084 110.084 106.376 3.708 18954 8497 1 20 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.293 -2.454 18954 8498 1 20 . 1 1 47 47 GLY H H 47 7.642 7.642 7.417 0.225 18954 8499 1 20 . 1 1 48 48 GLU N N 48 118.535 118.535 120.440 -1.905 18954 8500 1 20 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.031 -0.319 18954 8501 1 20 . 1 1 48 48 GLU CA C 48 56.422 56.422 59.172 -2.750 18954 8502 1 20 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.820 -2.356 18954 8503 1 20 . 1 1 48 48 GLU H H 48 8.348 8.348 8.878 -0.530 18954 8504 1 20 . 1 1 49 49 GLU N N 49 114.460 114.460 116.534 -2.074 18954 8505 1 20 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.235 0.138 18954 8506 1 20 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.968 -2.555 18954 8507 1 20 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.409 -2.448 18954 8508 1 20 . 1 1 49 49 GLU H H 49 8.498 8.498 8.395 0.103 18954 8509 1 20 . 1 1 50 50 ILE N N 50 121.524 121.524 118.991 2.533 18954 8510 1 20 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.935 0.167 18954 8511 1 20 . 1 1 50 50 ILE CA C 50 57.703 57.703 62.194 -4.491 18954 8512 1 20 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.760 -3.023 18954 8513 1 20 . 1 1 50 50 ILE H H 50 7.617 7.617 7.244 0.373 18954 8514 1 20 . 1 1 51 51 ASP N N 51 119.881 119.881 119.027 0.854 18954 8515 1 20 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.706 -0.406 18954 8516 1 20 . 1 1 51 51 ASP CA C 51 53.532 53.532 54.912 -1.380 18954 8517 1 20 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.054 -1.856 18954 8518 1 20 . 1 1 51 51 ASP H H 51 7.926 7.926 8.058 -0.132 18954 8519 1 20 . 1 1 52 52 SER N N 52 113.164 113.164 118.839 -5.675 18954 8520 1 20 . 1 1 52 52 SER HA H 52 4.403 4.403 4.499 -0.096 18954 8521 1 20 . 1 1 52 52 SER CA C 52 56.968 56.968 59.829 -2.861 18954 8522 1 20 . 1 1 52 52 SER CB C 52 61.183 61.183 63.906 -2.723 18954 8523 1 20 . 1 1 52 52 SER H H 52 7.888 7.888 8.401 -0.513 18954 8524 1 20 . 1 1 53 53 LYS N N 53 120.411 120.411 122.003 -1.592 18954 8525 1 20 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.475 -0.021 18954 8526 1 20 . 1 1 53 53 LYS CA C 53 53.813 53.813 56.565 -2.752 18954 8527 1 20 . 1 1 53 53 LYS CB C 53 32.359 32.359 32.899 -0.540 18954 8528 1 20 . 1 1 53 53 LYS H H 53 7.714 7.714 8.086 -0.372 18954 8529 1 20 . 1 1 54 54 VAL N N 54 116.701 116.701 117.014 -0.313 18954 8530 1 20 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.672 -0.205 18954 8531 1 20 . 1 1 54 54 VAL CA C 54 59.565 59.565 60.725 -1.160 18954 8532 1 20 . 1 1 54 54 VAL CB C 54 30.833 30.833 33.869 -3.036 18954 8533 1 20 . 1 1 54 54 VAL H H 54 7.041 7.041 7.597 -0.556 18954 8534 1 20 . 1 1 55 55 LYS N N 55 125.891 125.891 122.096 3.795 18954 8535 1 20 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.511 0.237 18954 8536 1 20 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.683 -3.081 18954 8537 1 20 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.279 0.009 18954 8538 1 20 . 1 1 55 55 LYS H H 55 9.138 9.138 8.220 0.918 18954 8539 1 20 . 1 1 56 56 GLY N N 56 109.312 109.312 108.922 0.390 18954 8540 1 20 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.155 -0.439 18954 8541 1 20 . 1 1 56 56 GLY H H 56 8.489 8.489 8.430 0.059 18954 8542 1 20 . 1 1 57 57 MET N N 57 118.391 118.391 126.876 -8.485 18954 8543 1 20 . 1 1 57 57 MET HA H 57 4.930 4.930 4.470 0.460 18954 8544 1 20 . 1 1 57 57 MET CA C 57 53.906 53.906 56.580 -2.674 18954 8545 1 20 . 1 1 57 57 MET CB C 57 30.841 30.841 33.581 -2.740 18954 8546 1 20 . 1 1 57 57 MET H H 57 8.039 8.039 7.923 0.116 18954 8547 1 20 . 1 1 58 58 VAL N N 58 124.257 124.257 117.702 6.555 18954 8548 1 20 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.617 -0.168 18954 8549 1 20 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.932 -2.882 18954 8550 1 20 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.759 -0.903 18954 8551 1 20 . 1 1 58 58 VAL H H 58 8.780 8.780 8.792 -0.012 18954 8552 1 20 . 1 1 59 59 PHE N N 59 120.512 120.512 121.023 -0.511 18954 8553 1 20 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.509 0.466 18954 8554 1 20 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.480 -2.916 18954 8555 1 20 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.567 -1.877 18954 8556 1 20 . 1 1 59 59 PHE H H 59 8.432 8.432 8.523 -0.091 18954 8557 1 20 . 1 1 60 60 LEU N N 60 120.934 120.934 123.437 -2.503 18954 8558 1 20 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.437 -0.061 18954 8559 1 20 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.411 -3.184 18954 8560 1 20 . 1 1 60 60 LEU CB C 60 40.525 40.525 42.851 -2.326 18954 8561 1 20 . 1 1 60 60 LEU H H 60 8.291 8.291 8.384 -0.093 18954 8562 1 20 . 1 1 61 61 LYS N N 61 122.117 122.117 118.905 3.212 18954 8563 1 20 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.117 -0.136 18954 8564 1 20 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.384 -1.841 18954 8565 1 20 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.157 -2.515 18954 8566 1 20 . 1 1 61 61 LYS H H 61 8.371 8.371 8.442 -0.071 18954 8567 1 20 . 1 1 62 62 GLY N N 62 114.590 114.590 106.641 7.949 18954 8568 1 20 . 1 1 62 62 GLY CA C 62 42.972 42.972 43.761 -0.789 18954 8569 1 20 . 1 1 62 62 GLY H H 62 8.870 8.870 7.591 1.279 18954 8570 1 20 . 1 1 63 63 LYS N N 63 111.406 111.406 123.753 -12.347 18954 8571 1 20 . 1 1 63 63 LYS H H 63 8.129 8.129 8.740 -0.611 18954 8572 1 20 . 1 1 64 64 LEU HA H 64 4.466 4.466 5.043 -0.577 18954 8573 1 20 . 1 1 64 64 LEU CA C 64 52.271 52.271 53.926 -1.655 18954 8574 1 20 . 1 1 64 64 LEU CB C 64 38.456 38.456 41.457 -3.001 18954 8575 1 20 . 1 1 65 65 GLY N N 65 105.164 105.164 104.864 0.300 18954 8576 1 20 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.730 -3.138 18954 8577 1 20 . 1 1 65 65 GLY H H 65 7.375 7.375 7.635 -0.260 18954 8578 1 20 . 1 1 66 66 VAL N N 66 111.490 111.490 113.398 -1.908 18954 8579 1 20 . 1 1 66 66 VAL HA H 66 5.391 5.391 5.188 0.203 18954 8580 1 20 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.249 -2.982 18954 8581 1 20 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.387 -1.336 18954 8582 1 20 . 1 1 66 66 VAL H H 66 9.127 9.127 7.816 1.311 18954 8583 1 20 . 1 1 67 67 CYS N N 67 116.847 116.847 117.269 -0.422 18954 8584 1 20 . 1 1 67 67 CYS HA H 67 5.494 5.494 4.963 0.531 18954 8585 1 20 . 1 1 67 67 CYS CA C 67 52.870 52.870 57.496 -4.626 18954 8586 1 20 . 1 1 67 67 CYS CB C 67 28.485 28.485 32.218 -3.733 18954 8587 1 20 . 1 1 67 67 CYS H H 67 8.914 8.914 8.542 0.372 18954 8588 1 20 . 1 1 68 68 PHE N N 68 116.013 116.013 115.926 0.087 18954 8589 1 20 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.802 -0.162 18954 8590 1 20 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.669 -3.033 18954 8591 1 20 . 1 1 68 68 PHE CB C 68 36.964 36.964 39.931 -2.967 18954 8592 1 20 . 1 1 68 68 PHE H H 68 8.118 8.118 8.504 -0.386 18954 8593 1 20 . 1 1 69 69 ASP N N 69 119.562 119.562 118.676 0.886 18954 8594 1 20 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.673 0.064 18954 8595 1 20 . 1 1 69 69 ASP CA C 69 50.163 50.163 53.672 -3.509 18954 8596 1 20 . 1 1 69 69 ASP CB C 69 40.589 40.589 44.526 -3.937 18954 8597 1 20 . 1 1 69 69 ASP H H 69 8.999 8.999 8.436 0.563 18954 8598 1 20 . 1 1 70 70 VAL N N 70 114.283 114.283 115.308 -1.025 18954 8599 1 20 . 1 1 70 70 VAL HA H 70 5.334 5.334 5.275 0.059 18954 8600 1 20 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.857 -2.893 18954 8601 1 20 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.691 -3.155 18954 8602 1 20 . 1 1 70 70 VAL H H 70 8.913 8.913 9.313 -0.400 18954 8603 1 20 . 1 1 71 71 PRO HA H 71 4.227 4.227 4.000 0.227 18954 8604 1 20 . 1 1 71 71 PRO CA C 71 59.838 59.838 61.951 -2.113 18954 8605 1 20 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.951 -2.478 18954 8606 1 20 . 1 1 72 72 THR N N 72 121.039 121.039 118.282 2.757 18954 8607 1 20 . 1 1 72 72 THR HA H 72 3.597 3.597 3.856 -0.259 18954 8608 1 20 . 1 1 72 72 THR CA C 72 63.671 63.671 66.186 -2.515 18954 8609 1 20 . 1 1 72 72 THR CB C 72 65.826 65.826 68.222 -2.396 18954 8610 1 20 . 1 1 72 72 THR H H 72 8.235 8.235 8.143 0.092 18954 8611 1 20 . 1 1 73 73 ALA N N 73 120.196 120.196 123.929 -3.733 18954 8612 1 20 . 1 1 73 73 ALA HA H 73 4.143 4.143 3.980 0.163 18954 8613 1 20 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.742 -3.272 18954 8614 1 20 . 1 1 73 73 ALA CB C 73 16.095 16.095 17.747 -1.653 18954 8615 1 20 . 1 1 73 73 ALA H H 73 8.466 8.466 8.511 -0.045 18954 8616 1 20 . 1 1 74 74 SER N N 74 112.214 112.214 112.042 0.172 18954 8617 1 20 . 1 1 74 74 SER HA H 74 4.552 4.552 4.307 0.245 18954 8618 1 20 . 1 1 74 74 SER CA C 74 57.492 57.492 60.194 -2.702 18954 8619 1 20 . 1 1 74 74 SER CB C 74 62.101 62.101 63.126 -1.025 18954 8620 1 20 . 1 1 74 74 SER H H 74 8.019 8.019 7.662 0.357 18954 8621 1 20 . 1 1 75 75 VAL N N 75 121.652 121.652 120.265 1.387 18954 8622 1 20 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.790 -0.535 18954 8623 1 20 . 1 1 75 75 VAL CA C 75 65.007 65.007 65.948 -0.941 18954 8624 1 20 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.519 -2.169 18954 8625 1 20 . 1 1 75 75 VAL H H 75 7.222 7.222 7.451 -0.229 18954 8626 1 20 . 1 1 76 76 THR N N 76 113.812 113.812 115.210 -1.398 18954 8627 1 20 . 1 1 76 76 THR HA H 76 3.963 3.963 3.950 0.013 18954 8628 1 20 . 1 1 76 76 THR CA C 76 63.804 63.804 67.157 -3.353 18954 8629 1 20 . 1 1 76 76 THR CB C 76 65.567 65.567 68.189 -2.622 18954 8630 1 20 . 1 1 76 76 THR H H 76 8.107 8.107 8.032 0.075 18954 8631 1 20 . 1 1 77 77 GLU N N 77 121.634 121.634 119.413 2.221 18954 8632 1 20 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.213 -0.180 18954 8633 1 20 . 1 1 77 77 GLU CA C 77 56.356 56.356 57.689 -1.333 18954 8634 1 20 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.161 -2.129 18954 8635 1 20 . 1 1 77 77 GLU H H 77 7.737 7.737 8.122 -0.385 18954 8636 1 20 . 1 1 78 78 ILE N N 78 119.383 119.383 117.435 1.948 18954 8637 1 20 . 1 1 78 78 ILE HA H 78 3.611 3.611 4.127 -0.516 18954 8638 1 20 . 1 1 78 78 ILE CA C 78 63.089 63.089 62.666 0.423 18954 8639 1 20 . 1 1 78 78 ILE CB C 78 35.616 35.616 39.818 -4.202 18954 8640 1 20 . 1 1 78 78 ILE H H 78 7.694 7.694 7.352 0.342 18954 8641 1 20 . 1 1 79 79 GLN N N 79 116.015 116.015 118.342 -2.327 18954 8642 1 20 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.068 -0.140 18954 8643 1 20 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.500 -1.832 18954 8644 1 20 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.978 -2.571 18954 8645 1 20 . 1 1 79 79 GLN H H 79 8.319 8.319 8.391 -0.072 18954 8646 1 20 . 1 1 80 80 GLU N N 80 116.824 116.824 117.576 -0.752 18954 8647 1 20 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.380 -0.313 18954 8648 1 20 . 1 1 80 80 GLU CA C 80 55.591 55.591 57.782 -2.191 18954 8649 1 20 . 1 1 80 80 GLU CB C 80 27.429 27.429 30.445 -3.017 18954 8650 1 20 . 1 1 80 80 GLU H H 80 7.884 7.884 8.280 -0.396 18954 8651 1 20 . 1 1 81 81 LYS N N 81 118.113 118.113 119.060 -0.947 18954 8652 1 20 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.571 -0.377 18954 8653 1 20 . 1 1 81 81 LYS CA C 81 54.843 54.843 55.625 -0.782 18954 8654 1 20 . 1 1 81 81 LYS CB C 81 32.776 32.776 32.411 0.365 18954 8655 1 20 . 1 1 81 81 LYS H H 81 7.396 7.396 7.979 -0.583 18954 8656 1 20 . 1 1 82 82 TRP N N 82 119.572 119.572 119.617 -0.045 18954 8657 1 20 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.711 -0.599 18954 8658 1 20 . 1 1 82 82 TRP CA C 82 55.919 55.919 56.461 -0.541 18954 8659 1 20 . 1 1 82 82 TRP CB C 82 27.453 27.453 32.357 -4.904 18954 8660 1 20 . 1 1 82 82 TRP H H 82 7.966 7.966 7.564 0.402 18954 8661 1 20 . 1 1 83 83 HIS N N 83 126.139 126.139 120.093 6.046 18954 8662 1 20 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.793 -0.129 18954 8663 1 20 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.315 -2.660 18954 8664 1 20 . 1 1 83 83 HIS CB C 83 28.017 28.017 32.542 -4.525 18954 8665 1 20 . 1 1 83 83 HIS H H 83 8.566 8.566 7.511 1.055 18954 8666 1 20 . 1 1 84 84 ASP N N 84 125.751 125.751 124.435 1.316 18954 8667 1 20 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.540 0.459 18954 8668 1 20 . 1 1 84 84 ASP CA C 84 52.619 52.619 54.554 -1.935 18954 8669 1 20 . 1 1 84 84 ASP CB C 84 39.741 39.741 42.059 -2.318 18954 8670 1 20 . 1 1 84 84 ASP H H 84 8.913 8.913 8.134 0.779 18954 8671 1 20 . 1 1 85 85 SER N N 85 116.332 116.332 115.707 0.625 18954 8672 1 20 . 1 1 85 85 SER HA H 85 4.924 4.924 4.676 0.248 18954 8673 1 20 . 1 1 85 85 SER CA C 85 53.657 53.657 56.544 -2.887 18954 8674 1 20 . 1 1 85 85 SER CB C 85 64.982 64.982 65.194 -0.212 18954 8675 1 20 . 1 1 85 85 SER H H 85 9.621 9.621 8.102 1.519 18954 8676 1 20 . 1 1 86 86 ARG N N 86 118.680 118.680 122.727 -4.047 18954 8677 1 20 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.126 -0.068 18954 8678 1 20 . 1 1 86 86 ARG CA C 86 55.847 55.847 59.016 -3.169 18954 8679 1 20 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.289 -3.157 18954 8680 1 20 . 1 1 86 86 ARG H H 86 8.695 8.695 8.722 -0.027 18954 8681 1 20 . 1 1 87 87 ARG N N 87 117.323 117.323 116.233 1.090 18954 8682 1 20 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.417 -0.141 18954 8683 1 20 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.765 -1.776 18954 8684 1 20 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.094 -2.512 18954 8685 1 20 . 1 1 87 87 ARG H H 87 7.710 7.710 8.190 -0.480 18954 8686 1 20 . 1 1 88 88 TRP N N 88 115.976 115.976 117.379 -1.403 18954 8687 1 20 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.457 0.420 18954 8688 1 20 . 1 1 88 88 TRP CA C 88 52.411 52.411 55.926 -3.515 18954 8689 1 20 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.669 -0.559 18954 8690 1 20 . 1 1 88 88 TRP H H 88 7.374 7.374 7.466 -0.092 18954 8691 1 20 . 1 1 89 89 GLN N N 89 118.426 118.426 120.725 -2.299 18954 8692 1 20 . 1 1 89 89 GLN HA H 89 5.527 5.527 4.819 0.708 18954 8693 1 20 . 1 1 89 89 GLN CA C 89 52.665 52.665 55.326 -2.661 18954 8694 1 20 . 1 1 89 89 GLN CB C 89 29.926 29.926 30.966 -1.040 18954 8695 1 20 . 1 1 89 89 GLN H H 89 8.803 8.803 8.875 -0.072 18954 8696 1 20 . 1 1 90 90 LEU N N 90 127.680 127.680 123.926 3.754 18954 8697 1 20 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.756 0.473 18954 8698 1 20 . 1 1 90 90 LEU CA C 90 50.846 50.846 54.443 -3.597 18954 8699 1 20 . 1 1 90 90 LEU CB C 90 39.965 39.965 42.509 -2.544 18954 8700 1 20 . 1 1 90 90 LEU H H 90 8.518 8.518 8.564 -0.046 18954 8701 1 20 . 1 1 91 91 SER N N 91 121.513 121.513 115.465 6.048 18954 8702 1 20 . 1 1 91 91 SER HA H 91 4.639 4.639 4.737 -0.098 18954 8703 1 20 . 1 1 91 91 SER CA C 91 54.241 54.241 57.770 -3.529 18954 8704 1 20 . 1 1 91 91 SER CB C 91 63.274 63.274 66.320 -3.046 18954 8705 1 20 . 1 1 91 91 SER H H 91 8.979 8.979 7.967 1.012 18954 8706 1 20 . 1 1 92 92 VAL N N 92 120.290 120.290 119.233 1.057 18954 8707 1 20 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.636 -0.520 18954 8708 1 20 . 1 1 92 92 VAL CA C 92 59.889 59.889 59.419 0.470 18954 8709 1 20 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.583 -5.357 18954 8710 1 20 . 1 1 92 92 VAL H H 92 8.277 8.277 8.173 0.104 18954 8711 1 20 . 1 1 93 93 ALA N N 93 130.076 130.076 127.117 2.959 18954 8712 1 20 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.461 -0.282 18954 8713 1 20 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.767 -2.574 18954 8714 1 20 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.268 -2.648 18954 8715 1 20 . 1 1 93 93 ALA H H 93 8.521 8.521 8.237 0.284 18954 8716 1 20 . 1 1 94 94 THR N N 94 113.705 113.705 112.694 1.011 18954 8717 1 20 . 1 1 94 94 THR HA H 94 4.190 4.190 4.431 -0.241 18954 8718 1 20 . 1 1 94 94 THR CA C 94 65.409 65.409 62.888 2.521 18954 8719 1 20 . 1 1 94 94 THR CB C 94 67.702 67.702 69.413 -1.711 18954 8720 1 20 . 1 1 94 94 THR H H 94 8.099 8.099 8.597 -0.498 18954 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 89 3.017 -0.101 3.032 18954 2 1 1 "Average Difference" HA 85 0.293 0.083 0.283 18954 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18954 4 1 1 "Average Difference" CA 88 2.539 2.225 1.230 18954 5 1 1 "Average Difference" CB 85 2.736 2.483 1.155 18954 6 1 1 "Average Difference" HN 89 0.453 -0.029 0.454 18954 7 1 2 "Average Difference" N 89 3.177 -0.165 3.191 18954 8 1 2 "Average Difference" HA 85 0.344 0.061 0.341 18954 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18954 10 1 2 "Average Difference" CA 88 2.575 2.280 1.204 18954 11 1 2 "Average Difference" CB 85 2.607 2.363 1.106 18954 12 1 2 "Average Difference" HN 89 0.477 -0.047 0.477 18954 13 1 3 "Average Difference" N 89 3.264 -0.045 3.283 18954 14 1 3 "Average Difference" HA 85 0.284 0.057 0.280 18954 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18954 16 1 3 "Average Difference" CA 88 2.680 2.371 1.255 18954 17 1 3 "Average Difference" CB 85 2.615 2.393 1.061 18954 18 1 3 "Average Difference" HN 89 0.471 -0.002 0.474 18954 19 1 4 "Average Difference" N 89 3.339 -0.151 3.354 18954 20 1 4 "Average Difference" HA 85 0.289 0.060 0.284 18954 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18954 22 1 4 "Average Difference" CA 88 2.666 2.382 1.204 18954 23 1 4 "Average Difference" CB 85 2.625 2.366 1.146 18954 24 1 4 "Average Difference" HN 89 0.488 -0.038 0.489 18954 25 1 5 "Average Difference" N 89 3.362 0.046 3.381 18954 26 1 5 "Average Difference" HA 85 0.349 0.061 0.345 18954 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18954 28 1 5 "Average Difference" CA 88 2.621 2.314 1.238 18954 29 1 5 "Average Difference" CB 85 2.668 2.381 1.212 18954 30 1 5 "Average Difference" HN 89 0.465 0.000 0.468 18954 31 1 6 "Average Difference" N 89 3.292 -0.026 3.311 18954 32 1 6 "Average Difference" HA 85 0.287 0.036 0.287 18954 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18954 34 1 6 "Average Difference" CA 88 2.704 2.343 1.357 18954 35 1 6 "Average Difference" CB 85 2.502 2.239 1.125 18954 36 1 6 "Average Difference" HN 89 0.483 0.010 0.485 18954 37 1 7 "Average Difference" N 89 3.072 0.200 3.083 18954 38 1 7 "Average Difference" HA 85 0.317 0.053 0.314 18954 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18954 40 1 7 "Average Difference" CA 88 2.655 2.313 1.310 18954 41 1 7 "Average Difference" CB 85 2.665 2.451 1.051 18954 42 1 7 "Average Difference" HN 89 0.488 -0.012 0.490 18954 43 1 8 "Average Difference" N 89 3.368 -0.193 3.381 18954 44 1 8 "Average Difference" HA 85 0.326 0.037 0.326 18954 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18954 46 1 8 "Average Difference" CA 88 2.649 2.347 1.235 18954 47 1 8 "Average Difference" CB 85 2.609 2.354 1.133 18954 48 1 8 "Average Difference" HN 89 0.468 -0.052 0.468 18954 49 1 9 "Average Difference" N 89 3.544 0.116 3.562 18954 50 1 9 "Average Difference" HA 85 0.284 0.066 0.277 18954 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18954 52 1 9 "Average Difference" CA 88 2.755 2.396 1.367 18954 53 1 9 "Average Difference" CB 85 2.636 2.358 1.185 18954 54 1 9 "Average Difference" HN 89 0.468 -0.068 0.466 18954 55 1 10 "Average Difference" N 89 3.192 0.073 3.209 18954 56 1 10 "Average Difference" HA 85 0.299 0.076 0.291 18954 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18954 58 1 10 "Average Difference" CA 88 2.618 2.354 1.152 18954 59 1 10 "Average Difference" CB 85 2.684 2.434 1.137 18954 60 1 10 "Average Difference" HN 89 0.463 0.032 0.464 18954 61 1 11 "Average Difference" N 89 3.428 -0.133 3.445 18954 62 1 11 "Average Difference" HA 85 0.309 0.046 0.307 18954 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18954 64 1 11 "Average Difference" CA 88 2.664 2.321 1.315 18954 65 1 11 "Average Difference" CB 85 2.556 2.314 1.091 18954 66 1 11 "Average Difference" HN 89 0.479 -0.054 0.479 18954 67 1 12 "Average Difference" N 89 3.494 -0.070 3.513 18954 68 1 12 "Average Difference" HA 85 0.309 0.037 0.308 18954 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18954 70 1 12 "Average Difference" CA 88 2.760 2.493 1.190 18954 71 1 12 "Average Difference" CB 85 2.473 2.246 1.042 18954 72 1 12 "Average Difference" HN 89 0.471 -0.051 0.471 18954 73 1 13 "Average Difference" N 89 3.054 0.130 3.069 18954 74 1 13 "Average Difference" HA 85 0.301 0.079 0.292 18954 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18954 76 1 13 "Average Difference" CA 88 2.653 2.361 1.216 18954 77 1 13 "Average Difference" CB 85 2.666 2.426 1.112 18954 78 1 13 "Average Difference" HN 89 0.438 -0.033 0.439 18954 79 1 14 "Average Difference" N 89 3.120 0.145 3.134 18954 80 1 14 "Average Difference" HA 85 0.274 0.063 0.269 18954 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18954 82 1 14 "Average Difference" CA 88 2.702 2.405 1.239 18954 83 1 14 "Average Difference" CB 85 2.614 2.372 1.105 18954 84 1 14 "Average Difference" HN 89 0.445 -0.036 0.446 18954 85 1 15 "Average Difference" N 89 3.284 -0.114 3.300 18954 86 1 15 "Average Difference" HA 85 0.305 0.108 0.286 18954 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18954 88 1 15 "Average Difference" CA 88 2.544 2.227 1.236 18954 89 1 15 "Average Difference" CB 85 2.656 2.414 1.115 18954 90 1 15 "Average Difference" HN 89 0.480 -0.007 0.483 18954 91 1 16 "Average Difference" N 89 3.440 -0.504 3.422 18954 92 1 16 "Average Difference" HA 85 0.335 0.042 0.334 18954 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18954 94 1 16 "Average Difference" CA 88 2.760 2.435 1.307 18954 95 1 16 "Average Difference" CB 85 2.627 2.370 1.140 18954 96 1 16 "Average Difference" HN 89 0.473 -0.047 0.473 18954 97 1 17 "Average Difference" N 89 3.293 -0.103 3.310 18954 98 1 17 "Average Difference" HA 85 0.304 0.039 0.303 18954 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18954 100 1 17 "Average Difference" CA 88 2.748 2.472 1.208 18954 101 1 17 "Average Difference" CB 85 2.641 2.378 1.157 18954 102 1 17 "Average Difference" HN 89 0.513 -0.008 0.516 18954 103 1 18 "Average Difference" N 89 3.394 -0.026 3.413 18954 104 1 18 "Average Difference" HA 85 0.315 0.037 0.315 18954 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18954 106 1 18 "Average Difference" CA 88 2.720 2.422 1.246 18954 107 1 18 "Average Difference" CB 85 2.482 2.269 1.012 18954 108 1 18 "Average Difference" HN 89 0.491 -0.010 0.493 18954 109 1 19 "Average Difference" N 89 3.078 -0.070 3.095 18954 110 1 19 "Average Difference" HA 85 0.278 0.066 0.272 18954 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18954 112 1 19 "Average Difference" CA 88 2.660 2.349 1.255 18954 113 1 19 "Average Difference" CB 85 2.642 2.425 1.055 18954 114 1 19 "Average Difference" HN 89 0.436 -0.030 0.437 18954 115 1 20 "Average Difference" N 89 3.461 -0.270 3.470 18954 116 1 20 "Average Difference" HA 85 0.306 0.090 0.294 18954 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18954 118 1 20 "Average Difference" CA 88 2.635 2.281 1.326 18954 119 1 20 "Average Difference" CB 85 2.750 2.489 1.176 18954 120 1 20 "Average Difference" HN 89 0.485 -0.059 0.484 18954 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 18954 _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 3 3 ILE N N 3 123.622 123.622 121.035 2.587 18954 2 1 . 1 1 3 3 ILE HA H 3 4.115 4.115 4.441 -0.326 18954 3 1 . 1 1 3 3 ILE CA C 3 58.302 58.302 61.221 -2.919 18954 4 1 . 1 1 3 3 ILE CB C 3 36.212 36.212 38.688 -2.476 18954 5 1 . 1 1 3 3 ILE H H 3 8.271 8.271 8.235 0.036 18954 6 1 . 1 1 4 4 SER N N 4 120.605 120.605 120.399 0.206 18954 7 1 . 1 1 4 4 SER HA H 4 4.368 4.368 4.772 -0.404 18954 8 1 . 1 1 4 4 SER CA C 4 55.796 55.796 57.883 -2.087 18954 9 1 . 1 1 4 4 SER CB C 4 60.945 60.945 64.817 -3.872 18954 10 1 . 1 1 4 4 SER H H 4 8.425 8.425 8.392 0.033 18954 11 1 . 1 1 5 5 GLY N N 5 111.455 111.455 109.534 1.921 18954 12 1 . 1 1 5 5 GLY CA C 5 42.781 42.781 45.309 -2.528 18954 13 1 . 1 1 5 5 GLY H H 5 8.406 8.406 8.426 -0.020 18954 14 1 . 1 1 6 6 ALA N N 6 123.660 123.660 123.223 0.437 18954 15 1 . 1 1 6 6 ALA HA H 6 4.319 4.319 4.637 -0.318 18954 16 1 . 1 1 6 6 ALA CA C 6 49.894 49.894 52.032 -2.138 18954 17 1 . 1 1 6 6 ALA CB C 6 16.928 16.928 19.611 -2.683 18954 18 1 . 1 1 6 6 ALA H H 6 8.103 8.103 8.154 -0.051 18954 19 1 . 1 1 7 7 THR N N 7 113.014 113.014 112.890 0.124 18954 20 1 . 1 1 7 7 THR HA H 7 4.309 4.309 4.527 -0.218 18954 21 1 . 1 1 7 7 THR CA C 7 58.886 58.886 61.796 -2.910 18954 22 1 . 1 1 7 7 THR CB C 7 67.461 67.461 69.684 -2.223 18954 23 1 . 1 1 7 7 THR H H 7 8.108 8.108 7.852 0.256 18954 24 1 . 1 1 8 8 SER N N 8 118.032 118.032 117.960 0.072 18954 25 1 . 1 1 8 8 SER HA H 8 4.434 4.434 4.603 -0.169 18954 26 1 . 1 1 8 8 SER CA C 8 55.537 55.537 58.070 -2.534 18954 27 1 . 1 1 8 8 SER CB C 8 61.305 61.305 64.168 -2.864 18954 28 1 . 1 1 8 8 SER H H 8 8.222 8.222 8.343 -0.121 18954 29 1 . 1 1 9 9 VAL N N 9 121.129 121.129 119.699 1.430 18954 30 1 . 1 1 9 9 VAL HA H 9 4.022 4.022 4.290 -0.268 18954 31 1 . 1 1 9 9 VAL CA C 9 60.014 60.014 62.454 -2.439 18954 32 1 . 1 1 9 9 VAL CB C 9 30.139 30.139 31.901 -1.763 18954 33 1 . 1 1 9 9 VAL H H 9 8.098 8.098 8.278 -0.180 18954 34 1 . 1 1 10 10 ASP N N 10 123.102 123.102 123.227 -0.125 18954 35 1 . 1 1 10 10 ASP HA H 10 4.503 4.503 4.796 -0.293 18954 36 1 . 1 1 10 10 ASP CA C 10 51.635 51.635 54.214 -2.579 18954 37 1 . 1 1 10 10 ASP CB C 10 38.671 38.671 41.028 -2.357 18954 38 1 . 1 1 10 10 ASP H H 10 8.242 8.242 8.183 0.059 18954 39 1 . 1 1 11 11 GLN N N 11 121.449 121.449 120.024 1.425 18954 40 1 . 1 1 11 11 GLN HA H 11 4.165 4.165 4.553 -0.388 18954 41 1 . 1 1 11 11 GLN CA C 11 53.773 53.773 55.472 -1.699 18954 42 1 . 1 1 11 11 GLN CB C 11 26.558 26.558 30.336 -3.779 18954 43 1 . 1 1 11 11 GLN H H 11 8.247 8.247 8.085 0.162 18954 44 1 . 1 1 12 12 ARG N N 12 121.029 121.029 121.725 -0.696 18954 45 1 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.499 -0.272 18954 46 1 . 1 1 12 12 ARG CA C 12 59.634 59.634 56.562 3.072 18954 47 1 . 1 1 12 12 ARG CB C 12 28.284 28.284 31.239 -2.955 18954 48 1 . 1 1 12 12 ARG H H 12 8.215 8.215 8.763 -0.548 18954 49 1 . 1 1 13 13 SER N N 13 121.168 121.168 113.222 7.946 18954 50 1 . 1 1 13 13 SER HA H 13 4.327 4.327 4.640 -0.313 18954 51 1 . 1 1 13 13 SER CA C 13 56.317 56.317 57.346 -1.029 18954 52 1 . 1 1 13 13 SER CB C 13 61.153 61.153 65.361 -4.208 18954 53 1 . 1 1 13 13 SER H H 13 8.483 8.483 7.812 0.671 18954 54 1 . 1 1 14 14 LEU N N 14 115.731 115.731 122.557 -6.826 18954 55 1 . 1 1 14 14 LEU HA H 14 4.247 4.247 4.338 -0.091 18954 56 1 . 1 1 14 14 LEU CA C 14 52.873 52.873 56.181 -3.308 18954 57 1 . 1 1 14 14 LEU CB C 14 39.689 39.689 41.379 -1.690 18954 58 1 . 1 1 14 14 LEU H H 14 8.124 8.124 8.593 -0.469 18954 59 1 . 1 1 15 15 ILE N N 15 119.991 119.991 113.071 6.920 18954 60 1 . 1 1 15 15 ILE HA H 15 3.997 3.997 4.423 -0.426 18954 61 1 . 1 1 15 15 ILE CA C 15 58.840 58.840 60.375 -1.535 18954 62 1 . 1 1 15 15 ILE CB C 15 36.205 36.205 37.832 -1.627 18954 63 1 . 1 1 15 15 ILE H H 15 7.859 7.859 7.559 0.300 18954 64 1 . 1 1 16 16 ASN N N 16 120.780 120.780 121.621 -0.841 18954 65 1 . 1 1 16 16 ASN HA H 16 4.713 4.713 4.506 0.207 18954 66 1 . 1 1 16 16 ASN CB C 16 36.453 36.453 38.543 -2.090 18954 67 1 . 1 1 16 16 ASN H H 16 8.014 8.014 8.240 -0.226 18954 68 1 . 1 1 17 17 SER N N 17 115.640 115.640 111.335 4.305 18954 69 1 . 1 1 17 17 SER HA H 17 4.300 4.300 4.527 -0.227 18954 70 1 . 1 1 17 17 SER CA C 17 56.001 56.001 58.193 -2.192 18954 71 1 . 1 1 17 17 SER CB C 17 60.894 60.894 63.591 -2.697 18954 72 1 . 1 1 17 17 SER H H 17 8.121 8.121 7.945 0.176 18954 73 1 . 1 1 18 18 ASN N N 18 121.876 121.876 120.477 1.399 18954 74 1 . 1 1 18 18 ASN HA H 18 4.731 4.731 4.854 -0.123 18954 75 1 . 1 1 18 18 ASN CB C 18 36.293 36.293 39.696 -3.403 18954 76 1 . 1 1 18 18 ASN H H 18 8.376 8.376 8.062 0.314 18954 77 1 . 1 1 19 19 VAL N N 19 120.480 120.480 120.416 0.064 18954 78 1 . 1 1 19 19 VAL HA H 19 4.029 4.029 4.283 -0.254 18954 79 1 . 1 1 19 19 VAL CA C 19 60.348 60.348 61.480 -1.132 18954 80 1 . 1 1 19 19 VAL CB C 19 29.903 29.903 33.218 -3.315 18954 81 1 . 1 1 19 19 VAL H H 19 8.022 8.022 7.916 0.106 18954 82 1 . 1 1 20 20 GLY N N 20 112.265 112.265 113.796 -1.531 18954 83 1 . 1 1 20 20 GLY CA C 20 42.698 42.698 45.758 -3.060 18954 84 1 . 1 1 20 20 GLY H H 20 8.567 8.567 8.194 0.373 18954 85 1 . 1 1 21 21 PHE N N 21 119.701 119.701 120.303 -0.602 18954 86 1 . 1 1 21 21 PHE HA H 21 5.133 5.133 5.405 -0.272 18954 87 1 . 1 1 21 21 PHE CA C 21 54.358 54.358 57.255 -2.897 18954 88 1 . 1 1 21 21 PHE CB C 21 40.894 40.894 43.134 -2.240 18954 89 1 . 1 1 21 21 PHE H H 21 7.917 7.917 8.254 -0.337 18954 90 1 . 1 1 22 22 VAL N N 22 120.733 120.733 121.061 -0.328 18954 91 1 . 1 1 22 22 VAL HA H 22 4.261 4.261 4.488 -0.227 18954 92 1 . 1 1 22 22 VAL CA C 22 57.972 57.972 60.447 -2.475 18954 93 1 . 1 1 22 22 VAL CB C 22 33.078 33.078 35.922 -2.844 18954 94 1 . 1 1 22 22 VAL H H 22 9.221 9.221 8.994 0.227 18954 95 1 . 1 1 23 23 THR N N 23 123.388 123.388 121.559 1.829 18954 96 1 . 1 1 23 23 THR HA H 23 4.967 4.967 4.704 0.263 18954 97 1 . 1 1 23 23 THR CA C 23 59.731 59.731 63.257 -3.526 18954 98 1 . 1 1 23 23 THR CB C 23 66.715 66.715 69.521 -2.806 18954 99 1 . 1 1 23 23 THR H H 23 8.403 8.403 8.499 -0.096 18954 100 1 . 1 1 24 24 MET N N 24 125.957 125.957 121.920 4.037 18954 101 1 . 1 1 24 24 MET HA H 24 4.702 4.702 4.793 -0.091 18954 102 1 . 1 1 24 24 MET CA C 24 51.056 51.056 54.294 -3.237 18954 103 1 . 1 1 24 24 MET CB C 24 32.115 32.115 36.110 -3.996 18954 104 1 . 1 1 24 24 MET H H 24 9.289 9.289 8.707 0.582 18954 105 1 . 1 1 25 25 ILE N N 25 117.652 117.652 119.286 -1.634 18954 106 1 . 1 1 25 25 ILE HA H 25 4.399 4.399 4.413 -0.014 18954 107 1 . 1 1 25 25 ILE CA C 25 56.759 56.759 59.178 -2.419 18954 108 1 . 1 1 25 25 ILE CB C 25 37.870 37.870 39.710 -1.840 18954 109 1 . 1 1 25 25 ILE H H 25 8.572 8.572 8.328 0.244 18954 110 1 . 1 1 26 26 LEU N N 26 130.281 130.281 126.775 3.506 18954 111 1 . 1 1 26 26 LEU HA H 26 5.214 5.214 4.754 0.460 18954 112 1 . 1 1 26 26 LEU CA C 26 50.111 50.111 53.342 -3.231 18954 113 1 . 1 1 26 26 LEU CB C 26 41.363 41.363 44.688 -3.325 18954 114 1 . 1 1 26 26 LEU H H 26 8.901 8.901 8.814 0.087 18954 115 1 . 1 1 27 27 GLN N N 27 125.400 125.400 122.166 3.234 18954 116 1 . 1 1 27 27 GLN HA H 27 4.773 4.773 4.861 -0.088 18954 117 1 . 1 1 27 27 GLN CB C 27 29.511 29.511 32.163 -2.652 18954 118 1 . 1 1 27 27 GLN H H 27 9.330 9.330 8.511 0.819 18954 119 1 . 1 1 28 28 CYS N N 28 124.065 124.065 121.284 2.781 18954 120 1 . 1 1 28 28 CYS HA H 28 5.123 5.123 4.866 0.257 18954 121 1 . 1 1 28 28 CYS CA C 28 53.035 53.035 55.902 -2.867 18954 122 1 . 1 1 28 28 CYS CB C 28 29.179 29.179 29.920 -0.741 18954 123 1 . 1 1 28 28 CYS H H 28 8.585 8.585 8.351 0.234 18954 124 1 . 1 1 29 29 SER N N 29 121.076 121.076 118.115 2.961 18954 125 1 . 1 1 29 29 SER HA H 29 4.160 4.160 4.422 -0.262 18954 126 1 . 1 1 29 29 SER CA C 29 57.073 57.073 59.084 -2.011 18954 127 1 . 1 1 29 29 SER CB C 29 60.725 60.725 62.708 -1.983 18954 128 1 . 1 1 29 29 SER H H 29 8.519 8.519 8.309 0.210 18954 129 1 . 1 1 30 30 ILE N N 30 117.987 117.987 114.429 3.558 18954 130 1 . 1 1 30 30 ILE HA H 30 4.308 4.308 4.404 -0.096 18954 131 1 . 1 1 30 30 ILE CA C 30 56.581 56.581 58.693 -2.112 18954 132 1 . 1 1 30 30 ILE CB C 30 39.391 39.391 41.178 -1.787 18954 133 1 . 1 1 30 30 ILE H H 30 7.343 7.343 7.004 0.339 18954 134 1 . 1 1 31 31 GLU N N 31 119.585 119.585 122.451 -2.866 18954 135 1 . 1 1 31 31 GLU HA H 31 3.678 3.678 4.368 -0.690 18954 136 1 . 1 1 31 31 GLU CA C 31 54.224 54.224 56.764 -2.540 18954 137 1 . 1 1 31 31 GLU CB C 31 27.361 27.361 30.339 -2.978 18954 138 1 . 1 1 31 31 GLU H H 31 7.901 7.901 8.397 -0.496 18954 139 1 . 1 1 32 32 MET N N 32 126.504 126.504 125.792 0.712 18954 140 1 . 1 1 32 32 MET HA H 32 4.297 4.297 4.486 -0.189 18954 141 1 . 1 1 32 32 MET CA C 32 50.919 50.919 52.794 -1.875 18954 142 1 . 1 1 32 32 MET CB C 32 32.696 32.696 32.565 0.131 18954 143 1 . 1 1 32 32 MET H H 32 8.406 8.406 8.505 -0.099 18954 144 1 . 1 1 33 33 PRO HA H 33 4.191 4.191 4.315 -0.124 18954 145 1 . 1 1 33 33 PRO CA C 33 61.767 61.767 64.048 -2.281 18954 146 1 . 1 1 33 33 PRO CB C 33 30.026 30.026 31.940 -1.913 18954 147 1 . 1 1 34 34 ASN N N 34 107.313 107.313 114.405 -7.092 18954 148 1 . 1 1 34 34 ASN HA H 34 4.816 4.816 5.027 -0.211 18954 149 1 . 1 1 34 34 ASN CA C 34 49.972 49.972 51.938 -1.967 18954 150 1 . 1 1 34 34 ASN CB C 34 38.137 38.137 40.715 -2.578 18954 151 1 . 1 1 34 34 ASN H H 34 7.077 7.077 7.921 -0.844 18954 152 1 . 1 1 35 35 ILE N N 35 122.015 122.015 121.939 0.076 18954 153 1 . 1 1 35 35 ILE HA H 35 3.943 3.943 3.919 0.024 18954 154 1 . 1 1 35 35 ILE CA C 35 61.775 61.775 63.279 -1.504 18954 155 1 . 1 1 35 35 ILE CB C 35 36.390 36.390 38.496 -2.106 18954 156 1 . 1 1 35 35 ILE H H 35 9.109 9.109 9.014 0.095 18954 157 1 . 1 1 36 36 SER N N 36 119.851 119.851 116.220 3.631 18954 158 1 . 1 1 36 36 SER HA H 36 4.366 4.366 4.417 -0.051 18954 159 1 . 1 1 36 36 SER CA C 36 59.274 59.274 61.468 -2.194 18954 160 1 . 1 1 36 36 SER CB C 36 59.818 59.818 62.584 -2.766 18954 161 1 . 1 1 36 36 SER H H 36 8.936 8.936 8.404 0.532 18954 162 1 . 1 1 37 37 TYR N N 37 122.338 122.338 121.949 0.389 18954 163 1 . 1 1 37 37 TYR HA H 37 4.203 4.203 4.182 0.021 18954 164 1 . 1 1 37 37 TYR CA C 37 59.185 59.185 62.617 -3.432 18954 165 1 . 1 1 37 37 TYR CB C 37 36.393 36.393 38.192 -1.799 18954 166 1 . 1 1 37 37 TYR H H 37 7.808 7.808 8.252 -0.444 18954 167 1 . 1 1 38 38 ALA N N 38 120.761 120.761 121.609 -0.848 18954 168 1 . 1 1 38 38 ALA HA H 38 3.871 3.871 3.864 0.007 18954 169 1 . 1 1 38 38 ALA CA C 38 51.797 51.797 54.802 -3.005 18954 170 1 . 1 1 38 38 ALA CB C 38 16.656 16.656 17.848 -1.192 18954 171 1 . 1 1 38 38 ALA H H 38 7.364 7.364 7.903 -0.539 18954 172 1 . 1 1 39 39 TRP N N 39 115.813 115.813 118.739 -2.926 18954 173 1 . 1 1 39 39 TRP HA H 39 4.076 4.076 4.082 -0.006 18954 174 1 . 1 1 39 39 TRP CA C 39 57.730 57.730 60.569 -2.839 18954 175 1 . 1 1 39 39 TRP CB C 39 27.712 27.712 29.226 -1.514 18954 176 1 . 1 1 39 39 TRP H H 39 7.134 7.134 7.661 -0.527 18954 177 1 . 1 1 40 40 LYS N N 40 117.209 117.209 118.444 -1.235 18954 178 1 . 1 1 40 40 LYS HA H 40 3.849 3.849 3.876 -0.027 18954 179 1 . 1 1 40 40 LYS CA C 40 56.984 56.984 60.114 -3.130 18954 180 1 . 1 1 40 40 LYS CB C 40 29.989 29.989 32.068 -2.079 18954 181 1 . 1 1 40 40 LYS H H 40 8.091 8.091 8.349 -0.258 18954 182 1 . 1 1 41 41 GLU N N 41 119.521 119.521 119.411 0.110 18954 183 1 . 1 1 41 41 GLU HA H 41 3.954 3.954 3.932 0.022 18954 184 1 . 1 1 41 41 GLU CA C 41 55.902 55.902 59.141 -3.239 18954 185 1 . 1 1 41 41 GLU CB C 41 25.922 25.922 28.853 -2.931 18954 186 1 . 1 1 41 41 GLU H H 41 6.674 6.674 7.441 -0.766 18954 187 1 . 1 1 42 42 LEU N N 42 117.269 117.269 120.179 -2.910 18954 188 1 . 1 1 42 42 LEU HA H 42 3.887 3.887 4.149 -0.262 18954 189 1 . 1 1 42 42 LEU CA C 42 55.840 55.840 58.100 -2.260 18954 190 1 . 1 1 42 42 LEU CB C 42 39.838 39.838 41.528 -1.690 18954 191 1 . 1 1 42 42 LEU H H 42 7.866 7.866 8.256 -0.390 18954 192 1 . 1 1 43 43 LYS N N 43 117.633 117.633 119.153 -1.520 18954 193 1 . 1 1 43 43 LYS HA H 43 3.969 3.969 4.238 -0.269 18954 194 1 . 1 1 43 43 LYS CA C 43 56.007 56.007 59.419 -3.412 18954 195 1 . 1 1 43 43 LYS CB C 43 30.092 30.092 32.232 -2.140 18954 196 1 . 1 1 43 43 LYS H H 43 8.458 8.458 8.374 0.084 18954 197 1 . 1 1 44 44 GLU N N 44 120.906 120.906 118.395 2.511 18954 198 1 . 1 1 44 44 GLU HA H 44 3.843 3.843 4.083 -0.240 18954 199 1 . 1 1 44 44 GLU CA C 44 56.955 56.955 58.756 -1.801 18954 200 1 . 1 1 44 44 GLU CB C 44 26.855 26.855 29.623 -2.768 18954 201 1 . 1 1 44 44 GLU H H 44 8.013 8.013 7.899 0.114 18954 202 1 . 1 1 45 45 GLN N N 45 113.584 113.584 117.090 -3.506 18954 203 1 . 1 1 45 45 GLN HA H 45 4.138 4.138 4.227 -0.089 18954 204 1 . 1 1 45 45 GLN CA C 45 58.177 58.177 57.361 0.816 18954 205 1 . 1 1 45 45 GLN CB C 45 27.536 27.536 29.791 -2.255 18954 206 1 . 1 1 45 45 GLN H H 45 7.665 7.665 7.806 -0.141 18954 207 1 . 1 1 46 46 LEU N N 46 114.594 114.594 116.893 -2.300 18954 208 1 . 1 1 46 46 LEU HA H 46 4.470 4.470 4.404 0.066 18954 209 1 . 1 1 46 46 LEU CA C 46 51.929 51.929 55.007 -3.078 18954 210 1 . 1 1 46 46 LEU CB C 46 39.636 39.636 42.813 -3.177 18954 211 1 . 1 1 46 46 LEU H H 46 8.652 8.652 8.119 0.533 18954 212 1 . 1 1 47 47 GLY N N 47 110.084 110.084 106.817 3.267 18954 213 1 . 1 1 47 47 GLY CA C 47 41.839 41.839 44.387 -2.548 18954 214 1 . 1 1 47 47 GLY H H 47 7.642 7.642 7.493 0.149 18954 215 1 . 1 1 48 48 GLU N N 48 118.535 118.535 121.616 -3.081 18954 216 1 . 1 1 48 48 GLU HA H 48 3.712 3.712 4.038 -0.326 18954 217 1 . 1 1 48 48 GLU CA C 48 56.422 56.422 58.544 -2.122 18954 218 1 . 1 1 48 48 GLU CB C 48 27.465 27.465 29.754 -2.289 18954 219 1 . 1 1 48 48 GLU H H 48 8.348 8.348 8.810 -0.462 18954 220 1 . 1 1 49 49 GLU N N 49 114.460 114.460 117.566 -3.106 18954 221 1 . 1 1 49 49 GLU HA H 49 4.373 4.373 4.324 0.049 18954 222 1 . 1 1 49 49 GLU CA C 49 54.413 54.413 56.392 -1.978 18954 223 1 . 1 1 49 49 GLU CB C 49 25.961 25.961 28.558 -2.598 18954 224 1 . 1 1 49 49 GLU H H 49 8.498 8.498 8.356 0.142 18954 225 1 . 1 1 50 50 ILE N N 50 121.524 121.524 121.159 0.365 18954 226 1 . 1 1 50 50 ILE HA H 50 4.102 4.102 3.971 0.131 18954 227 1 . 1 1 50 50 ILE CA C 50 57.703 57.703 62.177 -4.474 18954 228 1 . 1 1 50 50 ILE CB C 50 35.737 35.737 38.864 -3.127 18954 229 1 . 1 1 50 50 ILE H H 50 7.617 7.617 7.545 0.072 18954 230 1 . 1 1 51 51 ASP N N 51 119.881 119.881 119.967 -0.086 18954 231 1 . 1 1 51 51 ASP HA H 51 4.300 4.300 4.401 -0.101 18954 232 1 . 1 1 51 51 ASP CA C 51 53.532 53.532 56.433 -2.901 18954 233 1 . 1 1 51 51 ASP CB C 51 37.198 37.198 39.509 -2.311 18954 234 1 . 1 1 51 51 ASP H H 51 7.926 7.926 8.412 -0.486 18954 235 1 . 1 1 52 52 SER N N 52 113.164 113.164 114.853 -1.689 18954 236 1 . 1 1 52 52 SER HA H 52 4.403 4.403 4.302 0.102 18954 237 1 . 1 1 52 52 SER CA C 52 56.968 56.968 60.309 -3.341 18954 238 1 . 1 1 52 52 SER CB C 52 61.183 61.183 63.287 -2.104 18954 239 1 . 1 1 52 52 SER H H 52 7.888 7.888 8.002 -0.114 18954 240 1 . 1 1 53 53 LYS N N 53 120.411 120.411 119.275 1.136 18954 241 1 . 1 1 53 53 LYS HA H 53 4.454 4.454 4.443 0.011 18954 242 1 . 1 1 53 53 LYS CA C 53 53.813 53.813 56.279 -2.466 18954 243 1 . 1 1 53 53 LYS CB C 53 32.359 32.359 33.035 -0.676 18954 244 1 . 1 1 53 53 LYS H H 53 7.714 7.714 7.829 -0.115 18954 245 1 . 1 1 54 54 VAL N N 54 116.701 116.701 118.491 -1.790 18954 246 1 . 1 1 54 54 VAL HA H 54 4.467 4.467 4.342 0.125 18954 247 1 . 1 1 54 54 VAL CA C 54 59.565 59.565 61.519 -1.954 18954 248 1 . 1 1 54 54 VAL CB C 54 30.833 30.833 33.452 -2.619 18954 249 1 . 1 1 54 54 VAL H H 54 7.041 7.041 7.464 -0.423 18954 250 1 . 1 1 55 55 LYS N N 55 125.891 125.891 123.536 2.355 18954 251 1 . 1 1 55 55 LYS HA H 55 4.748 4.748 4.544 0.204 18954 252 1 . 1 1 55 55 LYS CA C 55 51.602 51.602 54.931 -3.329 18954 253 1 . 1 1 55 55 LYS CB C 55 33.288 33.288 33.786 -0.498 18954 254 1 . 1 1 55 55 LYS H H 55 9.138 9.138 8.481 0.657 18954 255 1 . 1 1 56 56 GLY N N 56 109.312 109.312 108.814 0.498 18954 256 1 . 1 1 56 56 GLY CA C 56 44.716 44.716 45.089 -0.373 18954 257 1 . 1 1 56 56 GLY H H 56 8.489 8.489 8.518 -0.030 18954 258 1 . 1 1 57 57 MET N N 57 118.391 118.391 124.828 -6.437 18954 259 1 . 1 1 57 57 MET HA H 57 4.930 4.930 4.528 0.402 18954 260 1 . 1 1 57 57 MET CA C 57 53.906 53.906 56.658 -2.752 18954 261 1 . 1 1 57 57 MET CB C 57 30.841 30.841 33.349 -2.508 18954 262 1 . 1 1 57 57 MET H H 57 8.039 8.039 7.992 0.047 18954 263 1 . 1 1 58 58 VAL N N 58 124.257 124.257 119.390 4.867 18954 264 1 . 1 1 58 58 VAL HA H 58 4.449 4.449 4.694 -0.245 18954 265 1 . 1 1 58 58 VAL CA C 58 57.050 57.050 59.954 -2.904 18954 266 1 . 1 1 58 58 VAL CB C 58 33.856 33.856 34.744 -0.888 18954 267 1 . 1 1 58 58 VAL H H 58 8.780 8.780 8.860 -0.080 18954 268 1 . 1 1 59 59 PHE N N 59 120.512 120.512 121.550 -1.038 18954 269 1 . 1 1 59 59 PHE HA H 59 4.975 4.975 4.560 0.415 18954 270 1 . 1 1 59 59 PHE CA C 59 56.564 56.564 59.301 -2.737 18954 271 1 . 1 1 59 59 PHE CB C 59 37.690 37.690 39.668 -1.978 18954 272 1 . 1 1 59 59 PHE H H 59 8.432 8.432 8.522 -0.090 18954 273 1 . 1 1 60 60 LEU N N 60 120.934 120.934 123.691 -2.757 18954 274 1 . 1 1 60 60 LEU HA H 60 4.376 4.376 4.502 -0.127 18954 275 1 . 1 1 60 60 LEU CA C 60 51.227 51.227 54.127 -2.900 18954 276 1 . 1 1 60 60 LEU CB C 60 40.525 40.525 43.330 -2.805 18954 277 1 . 1 1 60 60 LEU H H 60 8.291 8.291 8.358 -0.067 18954 278 1 . 1 1 61 61 LYS N N 61 122.117 122.117 120.875 1.242 18954 279 1 . 1 1 61 61 LYS HA H 61 3.981 3.981 4.145 -0.164 18954 280 1 . 1 1 61 61 LYS CA C 61 55.543 55.543 57.418 -1.875 18954 281 1 . 1 1 61 61 LYS CB C 61 29.642 29.642 32.133 -2.490 18954 282 1 . 1 1 61 61 LYS H H 61 8.371 8.371 8.507 -0.136 18954 283 1 . 1 1 62 62 GLY N N 62 114.590 114.590 110.768 3.822 18954 284 1 . 1 1 62 62 GLY CA C 62 42.972 42.972 44.698 -1.726 18954 285 1 . 1 1 62 62 GLY H H 62 8.870 8.870 8.211 0.659 18954 286 1 . 1 1 63 63 LYS N N 63 111.406 111.406 119.102 -7.696 18954 287 1 . 1 1 63 63 LYS H H 63 8.129 8.129 8.268 -0.139 18954 288 1 . 1 1 64 64 LEU HA H 64 4.466 4.466 4.904 -0.438 18954 289 1 . 1 1 64 64 LEU CA C 64 52.271 52.271 54.153 -1.882 18954 290 1 . 1 1 64 64 LEU CB C 64 38.456 38.456 42.293 -3.837 18954 291 1 . 1 1 65 65 GLY N N 65 105.164 105.164 104.945 0.219 18954 292 1 . 1 1 65 65 GLY CA C 65 42.592 42.592 45.434 -2.842 18954 293 1 . 1 1 65 65 GLY H H 65 7.375 7.375 7.489 -0.114 18954 294 1 . 1 1 66 66 VAL N N 66 111.490 111.490 116.411 -4.921 18954 295 1 . 1 1 66 66 VAL HA H 66 5.391 5.391 4.944 0.447 18954 296 1 . 1 1 66 66 VAL CA C 66 56.267 56.267 59.618 -3.351 18954 297 1 . 1 1 66 66 VAL CB C 66 34.051 34.051 35.805 -1.754 18954 298 1 . 1 1 66 66 VAL H H 66 9.127 9.127 8.254 0.873 18954 299 1 . 1 1 67 67 CYS N N 67 116.847 116.847 117.629 -0.782 18954 300 1 . 1 1 67 67 CYS HA H 67 5.494 5.494 5.283 0.211 18954 301 1 . 1 1 67 67 CYS CA C 67 52.870 52.870 55.892 -3.022 18954 302 1 . 1 1 67 67 CYS CB C 67 28.485 28.485 31.631 -3.146 18954 303 1 . 1 1 67 67 CYS H H 67 8.914 8.914 8.870 0.044 18954 304 1 . 1 1 68 68 PHE N N 68 116.013 116.013 115.212 0.801 18954 305 1 . 1 1 68 68 PHE HA H 68 4.640 4.640 4.882 -0.242 18954 306 1 . 1 1 68 68 PHE CA C 68 53.636 53.636 56.362 -2.726 18954 307 1 . 1 1 68 68 PHE CB C 68 36.964 36.964 40.643 -3.679 18954 308 1 . 1 1 68 68 PHE H H 68 8.118 8.118 8.212 -0.094 18954 309 1 . 1 1 69 69 ASP N N 69 119.562 119.562 120.819 -1.257 18954 310 1 . 1 1 69 69 ASP HA H 69 5.737 5.737 5.359 0.378 18954 311 1 . 1 1 69 69 ASP CA C 69 50.163 50.163 54.374 -4.211 18954 312 1 . 1 1 69 69 ASP CB C 69 40.589 40.589 43.233 -2.644 18954 313 1 . 1 1 69 69 ASP H H 69 8.999 8.999 8.544 0.455 18954 314 1 . 1 1 70 70 VAL N N 70 114.283 114.283 116.189 -1.906 18954 315 1 . 1 1 70 70 VAL HA H 70 5.334 5.334 4.956 0.378 18954 316 1 . 1 1 70 70 VAL CA C 70 54.964 54.964 57.885 -2.921 18954 317 1 . 1 1 70 70 VAL CB C 70 31.536 31.536 34.456 -2.920 18954 318 1 . 1 1 70 70 VAL H H 70 8.913 8.913 8.880 0.033 18954 319 1 . 1 1 71 71 PRO HA H 71 4.227 4.227 3.593 0.634 18954 320 1 . 1 1 71 71 PRO CA C 71 59.838 59.838 62.019 -2.181 18954 321 1 . 1 1 71 71 PRO CB C 71 29.473 29.473 31.634 -2.161 18954 322 1 . 1 1 72 72 THR N N 72 121.039 121.039 120.053 0.986 18954 323 1 . 1 1 72 72 THR HA H 72 3.597 3.597 3.820 -0.223 18954 324 1 . 1 1 72 72 THR CA C 72 63.671 63.671 66.882 -3.211 18954 325 1 . 1 1 72 72 THR CB C 72 65.826 65.826 68.309 -2.483 18954 326 1 . 1 1 72 72 THR H H 72 8.235 8.235 8.345 -0.110 18954 327 1 . 1 1 73 73 ALA N N 73 120.196 120.196 121.655 -1.459 18954 328 1 . 1 1 73 73 ALA HA H 73 4.143 4.143 4.175 -0.032 18954 329 1 . 1 1 73 73 ALA CA C 73 51.471 51.471 54.081 -2.610 18954 330 1 . 1 1 73 73 ALA CB C 73 16.095 16.095 18.083 -1.988 18954 331 1 . 1 1 73 73 ALA H H 73 8.466 8.466 8.286 0.180 18954 332 1 . 1 1 74 74 SER N N 74 112.214 112.214 112.995 -0.781 18954 333 1 . 1 1 74 74 SER HA H 74 4.552 4.552 4.497 0.055 18954 334 1 . 1 1 74 74 SER CA C 74 57.492 57.492 59.626 -2.134 18954 335 1 . 1 1 74 74 SER CB C 74 62.101 62.101 63.811 -1.710 18954 336 1 . 1 1 74 74 SER H H 74 8.019 8.019 7.727 0.292 18954 337 1 . 1 1 75 75 VAL N N 75 121.652 121.652 122.987 -1.335 18954 338 1 . 1 1 75 75 VAL HA H 75 3.255 3.255 3.661 -0.406 18954 339 1 . 1 1 75 75 VAL CA C 75 65.007 65.007 66.695 -1.688 18954 340 1 . 1 1 75 75 VAL CB C 75 29.350 29.350 31.420 -2.070 18954 341 1 . 1 1 75 75 VAL H H 75 7.222 7.222 7.938 -0.716 18954 342 1 . 1 1 76 76 THR N N 76 113.812 113.812 113.707 0.105 18954 343 1 . 1 1 76 76 THR HA H 76 3.963 3.963 4.017 -0.054 18954 344 1 . 1 1 76 76 THR CA C 76 63.804 63.804 66.186 -2.382 18954 345 1 . 1 1 76 76 THR CB C 76 65.567 65.567 68.392 -2.825 18954 346 1 . 1 1 76 76 THR H H 76 8.107 8.107 7.768 0.339 18954 347 1 . 1 1 77 77 GLU N N 77 121.634 121.634 121.254 0.380 18954 348 1 . 1 1 77 77 GLU HA H 77 4.033 4.033 4.181 -0.148 18954 349 1 . 1 1 77 77 GLU CA C 77 56.356 56.356 58.680 -2.324 18954 350 1 . 1 1 77 77 GLU CB C 77 27.032 27.032 29.622 -2.590 18954 351 1 . 1 1 77 77 GLU H H 77 7.737 7.737 7.917 -0.180 18954 352 1 . 1 1 78 78 ILE N N 78 119.383 119.383 119.926 -0.543 18954 353 1 . 1 1 78 78 ILE HA H 78 3.611 3.611 3.765 -0.154 18954 354 1 . 1 1 78 78 ILE CA C 78 63.089 63.089 64.918 -1.829 18954 355 1 . 1 1 78 78 ILE CB C 78 35.616 35.616 38.312 -2.696 18954 356 1 . 1 1 78 78 ILE H H 78 7.694 7.694 7.941 -0.247 18954 357 1 . 1 1 79 79 GLN N N 79 116.015 116.015 117.524 -1.509 18954 358 1 . 1 1 79 79 GLN HA H 79 3.928 3.928 4.078 -0.150 18954 359 1 . 1 1 79 79 GLN CA C 79 56.668 56.668 58.502 -1.834 18954 360 1 . 1 1 79 79 GLN CB C 79 26.407 26.407 28.396 -1.990 18954 361 1 . 1 1 79 79 GLN H H 79 8.319 8.319 7.932 0.387 18954 362 1 . 1 1 80 80 GLU N N 80 116.824 116.824 117.704 -0.880 18954 363 1 . 1 1 80 80 GLU HA H 80 4.067 4.067 4.258 -0.191 18954 364 1 . 1 1 80 80 GLU CA C 80 55.591 55.591 58.076 -2.485 18954 365 1 . 1 1 80 80 GLU CB C 80 27.429 27.429 29.879 -2.450 18954 366 1 . 1 1 80 80 GLU H H 80 7.884 7.884 7.967 -0.083 18954 367 1 . 1 1 81 81 LYS N N 81 118.113 118.113 117.210 0.903 18954 368 1 . 1 1 81 81 LYS HA H 81 4.194 4.194 4.440 -0.246 18954 369 1 . 1 1 81 81 LYS CA C 81 54.843 54.843 56.054 -1.211 18954 370 1 . 1 1 81 81 LYS CB C 81 32.776 32.776 33.418 -0.642 18954 371 1 . 1 1 81 81 LYS H H 81 7.396 7.396 7.886 -0.490 18954 372 1 . 1 1 82 82 TRP N N 82 119.572 119.572 121.439 -1.867 18954 373 1 . 1 1 82 82 TRP HA H 82 4.112 4.112 4.614 -0.502 18954 374 1 . 1 1 82 82 TRP CA C 82 55.919 55.919 57.414 -1.495 18954 375 1 . 1 1 82 82 TRP CB C 82 27.453 27.453 30.898 -3.445 18954 376 1 . 1 1 82 82 TRP H H 82 7.966 7.966 7.657 0.309 18954 377 1 . 1 1 83 83 HIS N N 83 126.139 126.139 121.923 4.216 18954 378 1 . 1 1 83 83 HIS HA H 83 4.664 4.664 4.768 -0.104 18954 379 1 . 1 1 83 83 HIS CA C 83 51.655 51.655 54.828 -3.173 18954 380 1 . 1 1 83 83 HIS CB C 83 28.017 28.017 32.378 -4.361 18954 381 1 . 1 1 83 83 HIS H H 83 8.566 8.566 7.575 0.991 18954 382 1 . 1 1 84 84 ASP N N 84 125.751 125.751 122.681 3.070 18954 383 1 . 1 1 84 84 ASP HA H 84 4.999 4.999 4.748 0.251 18954 384 1 . 1 1 84 84 ASP CA C 84 52.619 52.619 55.046 -2.427 18954 385 1 . 1 1 84 84 ASP CB C 84 39.741 39.741 41.317 -1.576 18954 386 1 . 1 1 84 84 ASP H H 84 8.913 8.913 8.359 0.554 18954 387 1 . 1 1 85 85 SER N N 85 116.332 116.332 117.051 -0.719 18954 388 1 . 1 1 85 85 SER HA H 85 4.924 4.924 4.652 0.272 18954 389 1 . 1 1 85 85 SER CA C 85 53.657 53.657 57.168 -3.511 18954 390 1 . 1 1 85 85 SER CB C 85 64.982 64.982 65.087 -0.105 18954 391 1 . 1 1 85 85 SER H H 85 9.621 9.621 8.331 1.290 18954 392 1 . 1 1 86 86 ARG N N 86 118.680 118.680 122.566 -3.886 18954 393 1 . 1 1 86 86 ARG HA H 86 4.058 4.058 4.175 -0.117 18954 394 1 . 1 1 86 86 ARG CA C 86 55.847 55.847 58.776 -2.929 18954 395 1 . 1 1 86 86 ARG CB C 86 27.132 27.132 30.040 -2.908 18954 396 1 . 1 1 86 86 ARG H H 86 8.695 8.695 8.867 -0.172 18954 397 1 . 1 1 87 87 ARG N N 87 117.323 117.323 117.204 0.119 18954 398 1 . 1 1 87 87 ARG HA H 87 4.276 4.276 4.464 -0.188 18954 399 1 . 1 1 87 87 ARG CA C 87 53.989 53.989 55.731 -1.742 18954 400 1 . 1 1 87 87 ARG CB C 87 29.582 29.582 32.145 -2.563 18954 401 1 . 1 1 87 87 ARG H H 87 7.710 7.710 8.175 -0.465 18954 402 1 . 1 1 88 88 TRP N N 88 115.976 115.976 119.689 -3.713 18954 403 1 . 1 1 88 88 TRP HA H 88 5.877 5.877 5.404 0.473 18954 404 1 . 1 1 88 88 TRP CA C 88 52.411 52.411 56.412 -4.001 18954 405 1 . 1 1 88 88 TRP CB C 88 32.110 32.110 32.143 -0.033 18954 406 1 . 1 1 88 88 TRP H H 88 7.374 7.374 7.986 -0.612 18954 407 1 . 1 1 89 89 GLN N N 89 118.426 118.426 120.492 -2.066 18954 408 1 . 1 1 89 89 GLN HA H 89 5.527 5.527 5.109 0.418 18954 409 1 . 1 1 89 89 GLN CA C 89 52.665 52.665 54.874 -2.209 18954 410 1 . 1 1 89 89 GLN CB C 89 29.926 29.926 31.898 -1.972 18954 411 1 . 1 1 89 89 GLN H H 89 8.803 8.803 8.785 0.018 18954 412 1 . 1 1 90 90 LEU N N 90 127.680 127.680 123.427 4.253 18954 413 1 . 1 1 90 90 LEU HA H 90 5.229 5.229 4.732 0.497 18954 414 1 . 1 1 90 90 LEU CA C 90 50.846 50.846 54.025 -3.179 18954 415 1 . 1 1 90 90 LEU CB C 90 39.965 39.965 43.306 -3.341 18954 416 1 . 1 1 90 90 LEU H H 90 8.518 8.518 8.684 -0.166 18954 417 1 . 1 1 91 91 SER N N 91 121.513 121.513 115.030 6.483 18954 418 1 . 1 1 91 91 SER HA H 91 4.639 4.639 4.633 0.006 18954 419 1 . 1 1 91 91 SER CA C 91 54.241 54.241 57.550 -3.309 18954 420 1 . 1 1 91 91 SER CB C 91 63.274 63.274 65.322 -2.048 18954 421 1 . 1 1 91 91 SER H H 91 8.979 8.979 8.268 0.711 18954 422 1 . 1 1 92 92 VAL N N 92 120.290 120.290 120.052 0.238 18954 423 1 . 1 1 92 92 VAL HA H 92 4.116 4.116 4.170 -0.054 18954 424 1 . 1 1 92 92 VAL CA C 92 59.889 59.889 60.043 -0.154 18954 425 1 . 1 1 92 92 VAL CB C 92 30.225 30.225 35.158 -4.933 18954 426 1 . 1 1 92 92 VAL H H 92 8.277 8.277 8.286 -0.009 18954 427 1 . 1 1 93 93 ALA N N 93 130.076 130.076 128.572 1.504 18954 428 1 . 1 1 93 93 ALA HA H 93 4.179 4.179 4.424 -0.245 18954 429 1 . 1 1 93 93 ALA CA C 93 50.193 50.193 52.680 -2.487 18954 430 1 . 1 1 93 93 ALA CB C 93 16.620 16.620 19.180 -2.560 18954 431 1 . 1 1 93 93 ALA H H 93 8.521 8.521 8.358 0.163 18954 432 1 . 1 1 94 94 THR N N 94 113.705 113.705 114.002 -0.297 18954 433 1 . 1 1 94 94 THR HA H 94 4.190 4.190 4.311 -0.121 18954 434 1 . 1 1 94 94 THR CA C 94 65.409 65.409 63.250 2.160 18954 435 1 . 1 1 94 94 THR CB C 94 67.702 67.702 69.387 -1.685 18954 436 1 . 1 1 94 94 THR H H 94 8.099 8.099 8.487 -0.388 18954 stop_ save_