data_25943 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25943 _Entry.PDB_ID 2NAQ 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 25943 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.631 -0.475 25943 2 1 1 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.939 -0.236 25943 3 1 1 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.821 -0.180 25943 4 1 1 . 1 1 3 3 SER N N 3 115.850 115.850 119.694 -3.844 25943 5 1 1 . 1 1 3 3 SER HA H 3 4.696 4.696 4.506 0.190 25943 6 1 1 . 1 1 3 3 SER CA C 3 57.756 57.756 58.389 -0.633 25943 7 1 1 . 1 1 3 3 SER CB C 3 64.325 64.325 63.945 0.380 25943 8 1 1 . 1 1 3 3 SER H H 3 8.757 8.757 8.322 0.435 25943 9 1 1 . 1 1 4 4 THR N N 4 118.590 118.590 121.470 -2.880 25943 10 1 1 . 1 1 4 4 THR HA H 4 4.213 4.213 4.251 -0.038 25943 11 1 1 . 1 1 4 4 THR CA C 4 64.714 64.714 65.143 -0.429 25943 12 1 1 . 1 1 4 4 THR CB C 4 68.864 68.864 69.202 -0.338 25943 13 1 1 . 1 1 4 4 THR H H 4 8.854 8.854 8.797 0.057 25943 14 1 1 . 1 1 5 5 ARG N N 5 122.240 122.240 121.099 1.141 25943 15 1 1 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.049 -0.080 25943 16 1 1 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.845 -0.586 25943 17 1 1 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.866 0.405 25943 18 1 1 . 1 1 5 5 ARG H H 5 8.535 8.535 8.629 -0.094 25943 19 1 1 . 1 1 6 6 CYS N N 6 118.400 118.400 115.484 2.916 25943 20 1 1 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.180 0.067 25943 21 1 1 . 1 1 6 6 CYS CA C 6 61.224 61.224 63.427 -2.203 25943 22 1 1 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.365 -0.162 25943 23 1 1 . 1 1 6 6 CYS H H 6 8.174 8.174 8.027 0.147 25943 24 1 1 . 1 1 7 7 LYS N N 7 123.084 123.084 120.984 2.100 25943 25 1 1 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.136 -0.068 25943 26 1 1 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.218 0.466 25943 27 1 1 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.215 0.622 25943 28 1 1 . 1 1 7 7 LYS H H 7 8.395 8.395 7.300 1.095 25943 29 1 1 . 1 1 8 8 LEU N N 8 120.110 120.110 119.275 0.835 25943 30 1 1 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.193 -0.219 25943 31 1 1 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.892 0.346 25943 32 1 1 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.393 0.061 25943 33 1 1 . 1 1 8 8 LEU H H 8 8.546 8.546 8.224 0.322 25943 34 1 1 . 1 1 9 9 ALA N N 9 118.910 118.910 120.920 -2.010 25943 35 1 1 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.128 -0.252 25943 36 1 1 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.928 0.708 25943 37 1 1 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.450 0.125 25943 38 1 1 . 1 1 9 9 ALA H H 9 8.076 8.076 7.904 0.172 25943 39 1 1 . 1 1 10 10 ARG N N 10 116.760 116.760 118.338 -1.578 25943 40 1 1 . 1 1 10 10 ARG HA H 10 3.952 3.952 3.949 0.003 25943 41 1 1 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.331 -0.621 25943 42 1 1 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.036 -0.312 25943 43 1 1 . 1 1 10 10 ARG H H 10 7.556 7.556 7.687 -0.131 25943 44 1 1 . 1 1 11 11 TYR N N 11 117.102 117.102 119.369 -2.267 25943 45 1 1 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.196 0.151 25943 46 1 1 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.375 0.323 25943 47 1 1 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.293 0.015 25943 48 1 1 . 1 1 11 11 TYR H H 11 7.510 7.510 7.300 0.210 25943 49 1 1 . 1 1 12 12 LEU N N 12 116.791 116.791 117.441 -0.650 25943 50 1 1 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.872 0.025 25943 51 1 1 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.371 0.205 25943 52 1 1 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.208 -0.262 25943 53 1 1 . 1 1 12 12 LEU H H 12 7.893 7.893 7.921 -0.028 25943 54 1 1 . 1 1 13 13 GLU N N 13 117.866 117.866 117.501 0.365 25943 55 1 1 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.171 -0.923 25943 56 1 1 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.045 -0.379 25943 57 1 1 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.518 -1.265 25943 58 1 1 . 1 1 13 13 GLU H H 13 7.975 7.975 7.648 0.327 25943 59 1 1 . 1 1 14 14 ASP N N 14 116.190 116.190 117.681 -1.491 25943 60 1 1 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.473 0.164 25943 61 1 1 . 1 1 14 14 ASP CA C 14 54.135 54.135 55.143 -1.008 25943 62 1 1 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.770 -2.116 25943 63 1 1 . 1 1 14 14 ASP H H 14 7.293 7.293 7.937 -0.644 25943 64 1 1 . 1 1 15 15 LEU N N 15 119.530 119.530 119.800 -0.270 25943 65 1 1 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.317 -0.008 25943 66 1 1 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.483 0.206 25943 67 1 1 . 1 1 15 15 LEU CB C 15 41.930 41.930 43.325 -1.395 25943 68 1 1 . 1 1 15 15 LEU H H 15 7.301 7.301 7.166 0.135 25943 69 1 1 . 1 1 16 16 GLU N N 16 121.840 121.840 120.726 1.114 25943 70 1 1 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.154 0.362 25943 71 1 1 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.346 -0.540 25943 72 1 1 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.155 -1.923 25943 73 1 1 . 1 1 16 16 GLU H H 16 8.837 8.837 8.600 0.237 25943 74 1 1 . 1 1 17 17 ASP N N 17 122.070 122.070 123.184 -1.114 25943 75 1 1 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.366 -0.017 25943 76 1 1 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.430 1.338 25943 77 1 1 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.196 0.163 25943 78 1 1 . 1 1 17 17 ASP H H 17 8.951 8.951 8.901 0.050 25943 79 1 1 . 1 1 18 18 VAL N N 18 118.150 118.150 119.352 -1.202 25943 80 1 1 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.838 0.021 25943 81 1 1 . 1 1 18 18 VAL CA C 18 65.986 65.986 66.120 -0.134 25943 82 1 1 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.586 -0.043 25943 83 1 1 . 1 1 18 18 VAL H H 18 8.613 8.613 8.086 0.527 25943 84 1 1 . 1 1 19 19 ASP N N 19 120.600 120.600 119.631 0.969 25943 85 1 1 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.491 0.215 25943 86 1 1 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.480 0.340 25943 87 1 1 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.829 1.029 25943 88 1 1 . 1 1 19 19 ASP H H 19 7.358 7.358 8.024 -0.666 25943 89 1 1 . 1 1 20 20 LEU N N 20 123.020 123.020 121.769 1.251 25943 90 1 1 . 1 1 20 20 LEU HA H 20 4.147 4.147 3.988 0.159 25943 91 1 1 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.907 0.208 25943 92 1 1 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.888 -0.969 25943 93 1 1 . 1 1 20 20 LEU H H 20 8.635 8.635 8.179 0.456 25943 94 1 1 . 1 1 21 21 LYS N N 21 119.120 119.120 118.793 0.327 25943 95 1 1 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.006 0.026 25943 96 1 1 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.648 0.692 25943 97 1 1 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.221 0.070 25943 98 1 1 . 1 1 21 21 LYS H H 21 7.914 7.914 7.687 0.227 25943 99 1 1 . 1 1 22 22 LYS N N 22 118.660 118.660 118.832 -0.172 25943 100 1 1 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.146 0.034 25943 101 1 1 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.428 0.751 25943 102 1 1 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.320 1.295 25943 103 1 1 . 1 1 22 22 LYS H H 22 7.715 7.715 7.509 0.206 25943 104 1 1 . 1 1 23 23 PHE N N 23 123.360 123.360 121.544 1.816 25943 105 1 1 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.309 -0.338 25943 106 1 1 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.791 -0.401 25943 107 1 1 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.240 1.213 25943 108 1 1 . 1 1 23 23 PHE H H 23 9.148 9.148 8.092 1.056 25943 109 1 1 . 1 1 24 24 LYS N N 24 117.660 117.660 119.425 -1.765 25943 110 1 1 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.094 -0.319 25943 111 1 1 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.656 1.559 25943 112 1 1 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.525 0.782 25943 113 1 1 . 1 1 24 24 LYS H H 24 8.750 8.750 7.755 0.995 25943 114 1 1 . 1 1 25 25 MET N N 25 118.140 118.140 120.252 -2.112 25943 115 1 1 . 1 1 25 25 MET HA H 25 3.955 3.955 4.141 -0.186 25943 116 1 1 . 1 1 25 25 MET CA C 25 59.261 59.261 58.955 0.306 25943 117 1 1 . 1 1 25 25 MET CB C 25 32.276 32.276 32.768 -0.492 25943 118 1 1 . 1 1 25 25 MET H H 25 8.005 8.005 7.990 0.015 25943 119 1 1 . 1 1 26 26 HIS N N 26 114.610 114.610 118.255 -3.645 25943 120 1 1 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.354 -0.033 25943 121 1 1 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.070 0.138 25943 122 1 1 . 1 1 26 26 HIS CB C 26 29.572 29.572 30.114 -0.542 25943 123 1 1 . 1 1 26 26 HIS H H 26 7.779 7.779 7.947 -0.168 25943 124 1 1 . 1 1 27 27 LEU N N 27 119.460 119.460 119.646 -0.186 25943 125 1 1 . 1 1 27 27 LEU HA H 27 4.001 4.001 3.892 0.109 25943 126 1 1 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.945 -0.199 25943 127 1 1 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.945 0.961 25943 128 1 1 . 1 1 27 27 LEU H H 27 7.954 7.954 7.578 0.376 25943 129 1 1 . 1 1 28 28 GLU N N 28 116.810 116.810 117.407 -0.597 25943 130 1 1 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.106 0.197 25943 131 1 1 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.714 -1.474 25943 132 1 1 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.769 -1.268 25943 133 1 1 . 1 1 28 28 GLU H H 28 7.870 7.870 8.254 -0.384 25943 134 1 1 . 1 1 29 29 ASP N N 29 116.732 116.732 117.580 -0.848 25943 135 1 1 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.737 0.131 25943 136 1 1 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.691 -1.564 25943 137 1 1 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.790 -1.860 25943 138 1 1 . 1 1 29 29 ASP H H 29 7.548 7.548 7.843 -0.295 25943 139 1 1 . 1 1 30 30 TYR N N 30 125.460 125.460 124.263 1.197 25943 140 1 1 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.248 0.086 25943 141 1 1 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.602 2.148 25943 142 1 1 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.434 0.615 25943 143 1 1 . 1 1 30 30 TYR H H 30 6.837 6.837 7.461 -0.624 25943 144 1 1 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.563 -0.030 25943 145 1 1 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.946 0.376 25943 146 1 1 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.897 -1.568 25943 147 1 1 . 1 1 33 33 GLN N N 33 120.060 120.060 121.045 -0.985 25943 148 1 1 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.311 -0.024 25943 149 1 1 . 1 1 33 33 GLN CA C 33 56.012 56.012 56.902 -0.890 25943 150 1 1 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.874 -0.144 25943 151 1 1 . 1 1 33 33 GLN H H 33 8.453 8.453 8.546 -0.093 25943 152 1 1 . 1 1 34 34 LYS N N 34 121.020 121.020 118.523 2.497 25943 153 1 1 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.380 -0.253 25943 154 1 1 . 1 1 34 34 LYS CA C 34 57.248 57.248 55.885 1.363 25943 155 1 1 . 1 1 34 34 LYS CB C 34 31.837 31.837 32.827 -0.990 25943 156 1 1 . 1 1 34 34 LYS H H 34 8.376 8.376 8.100 0.276 25943 157 1 1 . 1 1 35 35 GLY N N 35 110.370 110.370 110.477 -0.107 25943 158 1 1 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.282 0.716 25943 159 1 1 . 1 1 35 35 GLY H H 35 8.630 8.630 8.475 0.155 25943 160 1 1 . 1 1 36 36 CYS N N 36 117.850 117.850 118.878 -1.028 25943 161 1 1 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.325 0.359 25943 162 1 1 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.412 0.080 25943 163 1 1 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.017 1.903 25943 164 1 1 . 1 1 36 36 CYS H H 36 7.855 7.855 7.962 -0.107 25943 165 1 1 . 1 1 37 37 ILE N N 37 125.540 125.540 127.424 -1.884 25943 166 1 1 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.377 0.227 25943 167 1 1 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.842 -0.598 25943 168 1 1 . 1 1 37 37 ILE CB C 37 39.328 39.328 39.224 0.104 25943 169 1 1 . 1 1 37 37 ILE H H 37 9.362 9.362 8.424 0.938 25943 170 1 1 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.505 -0.155 25943 171 1 1 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.371 -0.126 25943 172 1 1 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.133 0.327 25943 173 1 1 . 1 1 39 39 LEU N N 39 120.950 120.950 125.015 -4.065 25943 174 1 1 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.323 -0.433 25943 175 1 1 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.773 -0.420 25943 176 1 1 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.151 0.227 25943 177 1 1 . 1 1 39 39 LEU H H 39 7.503 7.503 8.153 -0.650 25943 178 1 1 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.487 -0.137 25943 179 1 1 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.628 -0.327 25943 180 1 1 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.568 -0.320 25943 181 1 1 . 1 1 41 41 ARG N N 41 127.030 127.030 125.749 1.281 25943 182 1 1 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.020 -0.192 25943 183 1 1 . 1 1 41 41 ARG CA C 41 60.704 60.704 60.066 0.638 25943 184 1 1 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.153 0.128 25943 185 1 1 . 1 1 41 41 ARG H H 41 8.997 8.997 8.636 0.361 25943 186 1 1 . 1 1 42 42 GLY N N 42 106.770 106.770 106.007 0.763 25943 187 1 1 . 1 1 42 42 GLY CA C 42 47.505 47.505 47.038 0.467 25943 188 1 1 . 1 1 42 42 GLY H H 42 8.820 8.820 8.619 0.201 25943 189 1 1 . 1 1 43 43 GLN N N 43 118.070 118.070 120.443 -2.373 25943 190 1 1 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.196 -0.182 25943 191 1 1 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.821 -0.124 25943 192 1 1 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.216 1.604 25943 193 1 1 . 1 1 43 43 GLN H H 43 7.724 7.724 7.424 0.300 25943 194 1 1 . 1 1 44 44 THR N N 44 115.670 115.670 116.302 -0.632 25943 195 1 1 . 1 1 44 44 THR HA H 44 4.220 4.220 4.011 0.209 25943 196 1 1 . 1 1 44 44 THR CA C 44 67.781 67.781 66.541 1.240 25943 197 1 1 . 1 1 44 44 THR CB C 44 67.781 67.781 68.433 -0.652 25943 198 1 1 . 1 1 44 44 THR H H 44 7.641 7.641 7.778 -0.137 25943 199 1 1 . 1 1 45 45 GLU N N 45 119.340 119.340 120.205 -0.865 25943 200 1 1 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.087 -0.337 25943 201 1 1 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.860 0.969 25943 202 1 1 . 1 1 45 45 GLU CB C 45 29.325 29.325 28.921 0.404 25943 203 1 1 . 1 1 45 45 GLU H H 45 8.412 8.412 8.414 -0.002 25943 204 1 1 . 1 1 46 46 LYS N N 46 115.700 115.700 117.890 -2.190 25943 205 1 1 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.216 -0.044 25943 206 1 1 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.660 0.177 25943 207 1 1 . 1 1 46 46 LYS CB C 46 33.281 33.281 33.083 0.198 25943 208 1 1 . 1 1 46 46 LYS H H 46 7.289 7.289 7.660 -0.371 25943 209 1 1 . 1 1 47 47 ALA N N 47 121.880 121.880 122.810 -0.930 25943 210 1 1 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.391 -0.104 25943 211 1 1 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.425 0.677 25943 212 1 1 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.706 -0.030 25943 213 1 1 . 1 1 47 47 ALA H H 47 7.072 7.072 7.406 -0.334 25943 214 1 1 . 1 1 48 48 ASP N N 48 121.440 121.440 122.397 -0.957 25943 215 1 1 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.520 0.143 25943 216 1 1 . 1 1 48 48 ASP CA C 48 52.046 52.046 52.989 -0.943 25943 217 1 1 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.905 -3.202 25943 218 1 1 . 1 1 48 48 ASP H H 48 8.654 8.654 8.284 0.370 25943 219 1 1 . 1 1 49 49 HIS N N 49 112.540 112.540 117.918 -5.378 25943 220 1 1 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.266 -0.294 25943 221 1 1 . 1 1 49 49 HIS CA C 49 60.276 60.276 58.982 1.294 25943 222 1 1 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.425 -0.684 25943 223 1 1 . 1 1 49 49 HIS H H 49 8.316 8.316 8.441 -0.125 25943 224 1 1 . 1 1 50 50 VAL N N 50 117.460 117.460 119.576 -2.116 25943 225 1 1 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.740 -0.063 25943 226 1 1 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.553 -0.730 25943 227 1 1 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.610 0.193 25943 228 1 1 . 1 1 50 50 VAL H H 50 7.610 7.610 7.106 0.504 25943 229 1 1 . 1 1 51 51 ASP N N 51 121.430 121.430 118.742 2.688 25943 230 1 1 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.320 0.115 25943 231 1 1 . 1 1 51 51 ASP CA C 51 56.592 56.592 56.710 -0.118 25943 232 1 1 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.825 -1.410 25943 233 1 1 . 1 1 51 51 ASP H H 51 8.490 8.490 8.019 0.471 25943 234 1 1 . 1 1 52 52 LEU N N 52 121.030 121.030 120.238 0.792 25943 235 1 1 . 1 1 52 52 LEU HA H 52 3.967 3.967 4.031 -0.064 25943 236 1 1 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.147 -0.470 25943 237 1 1 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.602 0.106 25943 238 1 1 . 1 1 52 52 LEU H H 52 8.649 8.649 8.418 0.231 25943 239 1 1 . 1 1 53 53 ALA N N 53 120.440 120.440 118.458 1.982 25943 240 1 1 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.135 -0.200 25943 241 1 1 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.014 0.584 25943 242 1 1 . 1 1 53 53 ALA CB C 53 18.094 18.094 17.958 0.136 25943 243 1 1 . 1 1 53 53 ALA H H 53 7.423 7.423 7.695 -0.272 25943 244 1 1 . 1 1 54 54 THR N N 54 113.210 113.210 116.859 -3.649 25943 245 1 1 . 1 1 54 54 THR HA H 54 3.712 3.712 4.069 -0.357 25943 246 1 1 . 1 1 54 54 THR CA C 54 66.864 66.864 66.337 0.527 25943 247 1 1 . 1 1 54 54 THR CB C 54 68.868 68.868 68.678 0.190 25943 248 1 1 . 1 1 54 54 THR H H 54 7.683 7.683 7.636 0.047 25943 249 1 1 . 1 1 55 55 LEU N N 55 122.800 122.800 122.292 0.508 25943 250 1 1 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.169 0.005 25943 251 1 1 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.419 -0.016 25943 252 1 1 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.623 1.415 25943 253 1 1 . 1 1 55 55 LEU H H 55 8.314 8.314 7.843 0.471 25943 254 1 1 . 1 1 56 56 MET N N 56 115.790 115.790 118.912 -3.122 25943 255 1 1 . 1 1 56 56 MET HA H 56 3.831 3.831 4.373 -0.542 25943 256 1 1 . 1 1 56 56 MET CA C 56 60.849 60.849 59.693 1.156 25943 257 1 1 . 1 1 56 56 MET CB C 56 34.668 34.668 33.134 1.534 25943 258 1 1 . 1 1 56 56 MET H H 56 8.379 8.379 7.716 0.663 25943 259 1 1 . 1 1 57 57 ILE N N 57 120.370 120.370 119.528 0.842 25943 260 1 1 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.698 -0.261 25943 261 1 1 . 1 1 57 57 ILE CA C 57 64.850 64.850 65.152 -0.302 25943 262 1 1 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.922 0.430 25943 263 1 1 . 1 1 57 57 ILE H H 57 8.007 8.007 8.110 -0.103 25943 264 1 1 . 1 1 58 58 ASP N N 58 122.569 122.569 120.081 2.488 25943 265 1 1 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.433 -0.086 25943 266 1 1 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.426 -0.764 25943 267 1 1 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.560 -3.650 25943 268 1 1 . 1 1 58 58 ASP H H 58 9.271 9.271 8.048 1.223 25943 269 1 1 . 1 1 59 59 PHE N N 59 114.340 114.340 118.898 -4.558 25943 270 1 1 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.459 -0.235 25943 271 1 1 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.168 1.208 25943 272 1 1 . 1 1 59 59 PHE CB C 59 40.530 40.530 40.092 0.438 25943 273 1 1 . 1 1 59 59 PHE H H 59 8.025 8.025 8.123 -0.098 25943 274 1 1 . 1 1 60 60 ASN N N 60 112.830 112.830 115.388 -2.558 25943 275 1 1 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.857 -0.725 25943 276 1 1 . 1 1 60 60 ASN CA C 60 54.614 54.614 54.075 0.539 25943 277 1 1 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.196 2.764 25943 278 1 1 . 1 1 60 60 ASN H H 60 7.601 7.601 7.846 -0.245 25943 279 1 1 . 1 1 61 61 GLY N N 61 110.840 110.840 107.066 3.774 25943 280 1 1 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.649 0.093 25943 281 1 1 . 1 1 61 61 GLY H H 61 8.626 8.626 7.592 1.034 25943 282 1 1 . 1 1 62 62 GLU N N 62 117.990 117.990 121.686 -3.696 25943 283 1 1 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.822 0.110 25943 284 1 1 . 1 1 62 62 GLU CA C 62 61.739 61.739 58.781 2.958 25943 285 1 1 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.380 0.868 25943 286 1 1 . 1 1 62 62 GLU H H 62 8.841 8.841 8.701 0.140 25943 287 1 1 . 1 1 63 63 GLU N N 63 118.090 118.090 119.119 -1.029 25943 288 1 1 . 1 1 63 63 GLU HA H 63 4.028 4.028 3.882 0.146 25943 289 1 1 . 1 1 63 63 GLU CA C 63 60.752 60.752 58.937 1.815 25943 290 1 1 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.024 -0.700 25943 291 1 1 . 1 1 63 63 GLU H H 63 8.535 8.535 8.379 0.156 25943 292 1 1 . 1 1 64 64 LYS N N 64 119.720 119.720 119.806 -0.086 25943 293 1 1 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.148 -0.066 25943 294 1 1 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.841 0.343 25943 295 1 1 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.403 -0.645 25943 296 1 1 . 1 1 64 64 LYS H H 64 9.107 9.107 8.077 1.030 25943 297 1 1 . 1 1 65 65 ALA N N 65 120.030 120.030 122.091 -2.061 25943 298 1 1 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.143 -0.225 25943 299 1 1 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.285 0.649 25943 300 1 1 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.089 1.500 25943 301 1 1 . 1 1 65 65 ALA H H 65 8.179 8.179 8.044 0.135 25943 302 1 1 . 1 1 66 66 TRP N N 66 116.210 116.210 119.233 -3.023 25943 303 1 1 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.326 -0.352 25943 304 1 1 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.174 1.128 25943 305 1 1 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.252 0.703 25943 306 1 1 . 1 1 66 66 TRP H H 66 7.900 7.900 7.733 0.167 25943 307 1 1 . 1 1 67 67 ALA N N 67 119.640 119.640 121.661 -2.021 25943 308 1 1 . 1 1 67 67 ALA HA H 67 4.031 4.031 3.971 0.060 25943 309 1 1 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.337 0.275 25943 310 1 1 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.303 -0.197 25943 311 1 1 . 1 1 67 67 ALA H H 67 7.754 7.754 7.692 0.062 25943 312 1 1 . 1 1 68 68 MET N N 68 118.260 118.260 116.767 1.493 25943 313 1 1 . 1 1 68 68 MET HA H 68 4.262 4.262 4.309 -0.047 25943 314 1 1 . 1 1 68 68 MET CA C 68 58.647 58.647 56.922 1.725 25943 315 1 1 . 1 1 68 68 MET CB C 68 34.369 34.369 31.857 2.512 25943 316 1 1 . 1 1 68 68 MET H H 68 8.500 8.500 7.907 0.593 25943 317 1 1 . 1 1 69 69 ALA N N 69 120.358 120.358 122.856 -2.498 25943 318 1 1 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.994 -0.421 25943 319 1 1 . 1 1 69 69 ALA CA C 69 55.629 55.629 54.922 0.707 25943 320 1 1 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.398 -0.685 25943 321 1 1 . 1 1 69 69 ALA H H 69 7.922 7.922 8.164 -0.242 25943 322 1 1 . 1 1 70 70 VAL N N 70 114.916 114.916 118.035 -3.119 25943 323 1 1 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.377 0.026 25943 324 1 1 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.695 2.239 25943 325 1 1 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.898 0.390 25943 326 1 1 . 1 1 70 70 VAL H H 70 8.202 8.202 7.999 0.203 25943 327 1 1 . 1 1 71 71 TRP N N 71 118.400 118.400 120.912 -2.512 25943 328 1 1 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.268 -0.131 25943 329 1 1 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.417 0.845 25943 330 1 1 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.751 -0.509 25943 331 1 1 . 1 1 71 71 TRP H H 71 7.806 7.806 7.638 0.168 25943 332 1 1 . 1 1 72 72 ILE N N 72 119.430 119.430 119.646 -0.216 25943 333 1 1 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.683 -0.561 25943 334 1 1 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.846 1.017 25943 335 1 1 . 1 1 72 72 ILE CB C 72 36.670 36.670 38.053 -1.383 25943 336 1 1 . 1 1 72 72 ILE H H 72 8.654 8.654 7.530 1.124 25943 337 1 1 . 1 1 73 73 PHE N N 73 118.760 118.760 118.775 -0.015 25943 338 1 1 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.119 0.395 25943 339 1 1 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.541 -0.387 25943 340 1 1 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.175 0.146 25943 341 1 1 . 1 1 73 73 PHE H H 73 9.015 9.015 7.035 1.980 25943 342 1 1 . 1 1 74 74 ALA N N 74 118.190 118.190 120.053 -1.863 25943 343 1 1 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.967 -0.306 25943 344 1 1 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.542 0.620 25943 345 1 1 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.604 -0.453 25943 346 1 1 . 1 1 74 74 ALA H H 74 7.363 7.363 7.678 -0.315 25943 347 1 1 . 1 1 75 75 ALA N N 75 122.920 122.920 122.770 0.150 25943 348 1 1 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.881 -0.146 25943 349 1 1 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.273 0.353 25943 350 1 1 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.457 -0.880 25943 351 1 1 . 1 1 75 75 ALA H H 75 7.640 7.640 7.230 0.410 25943 352 1 1 . 1 1 76 76 ILE N N 76 108.850 108.850 111.452 -2.602 25943 353 1 1 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.140 0.356 25943 354 1 1 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.843 -0.165 25943 355 1 1 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.644 0.748 25943 356 1 1 . 1 1 76 76 ILE H H 76 7.901 7.901 7.437 0.464 25943 357 1 1 . 1 1 77 77 ASN N N 77 116.232 116.232 118.683 -2.451 25943 358 1 1 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.343 -0.085 25943 359 1 1 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.266 0.804 25943 360 1 1 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.408 -0.490 25943 361 1 1 . 1 1 77 77 ASN H H 77 7.865 7.865 7.622 0.242 25943 362 1 1 . 1 1 78 78 ARG N N 78 118.810 118.810 119.922 -1.112 25943 363 1 1 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.547 0.421 25943 364 1 1 . 1 1 78 78 ARG CA C 78 50.923 50.923 54.456 -3.533 25943 365 1 1 . 1 1 78 78 ARG CB C 78 26.617 26.617 31.035 -4.418 25943 366 1 1 . 1 1 78 78 ARG H H 78 8.325 8.325 7.789 0.536 25943 367 1 1 . 1 1 79 79 ARG N N 79 122.270 122.270 122.961 -0.691 25943 368 1 1 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.977 -0.066 25943 369 1 1 . 1 1 79 79 ARG CA C 79 59.194 59.194 60.142 -0.948 25943 370 1 1 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.774 -0.216 25943 371 1 1 . 1 1 79 79 ARG H H 79 8.171 8.171 8.678 -0.507 25943 372 1 1 . 1 1 80 80 ASP N N 80 117.180 117.180 117.599 -0.419 25943 373 1 1 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.378 -0.519 25943 374 1 1 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.228 -1.063 25943 375 1 1 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.300 -1.929 25943 376 1 1 . 1 1 80 80 ASP H H 80 9.124 9.124 8.472 0.652 25943 377 1 1 . 1 1 81 81 LEU N N 81 120.540 120.540 119.971 0.569 25943 378 1 1 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.061 -0.222 25943 379 1 1 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.241 -0.478 25943 380 1 1 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.996 -1.707 25943 381 1 1 . 1 1 81 81 LEU H H 81 7.267 7.267 8.227 -0.960 25943 382 1 1 . 1 1 82 82 TYR N N 82 119.140 119.140 120.121 -0.981 25943 383 1 1 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.282 -0.123 25943 384 1 1 . 1 1 82 82 TYR CA C 82 62.239 62.239 60.560 1.679 25943 385 1 1 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.074 0.617 25943 386 1 1 . 1 1 82 82 TYR H H 82 8.041 8.041 7.987 0.054 25943 387 1 1 . 1 1 83 83 GLU N N 83 115.620 115.620 118.837 -3.217 25943 388 1 1 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.615 0.081 25943 389 1 1 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.322 -0.241 25943 390 1 1 . 1 1 83 83 GLU CB C 83 29.137 29.137 28.975 0.162 25943 391 1 1 . 1 1 83 83 GLU H H 83 8.194 8.194 7.749 0.445 25943 392 1 1 . 1 1 84 84 LYS N N 84 118.080 118.080 119.159 -1.079 25943 393 1 1 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.136 -0.219 25943 394 1 1 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.842 0.922 25943 395 1 1 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.493 0.881 25943 396 1 1 . 1 1 84 84 LYS H H 84 7.446 7.446 7.471 -0.025 25943 397 1 1 . 1 1 85 85 ALA N N 85 120.470 120.470 122.572 -2.102 25943 398 1 1 . 1 1 85 85 ALA HA H 85 4.123 4.123 3.893 0.230 25943 399 1 1 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.210 -0.100 25943 400 1 1 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.195 0.187 25943 401 1 1 . 1 1 85 85 ALA H H 85 8.651 8.651 8.335 0.316 25943 402 1 1 . 1 1 86 86 LYS N N 86 117.610 117.610 117.167 0.443 25943 403 1 1 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.068 -0.058 25943 404 1 1 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.873 0.296 25943 405 1 1 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.473 -0.682 25943 406 1 1 . 1 1 86 86 LYS H H 86 8.059 8.059 7.882 0.177 25943 407 1 1 . 1 1 87 87 ARG N N 87 116.900 116.900 116.782 0.118 25943 408 1 1 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.223 -0.058 25943 409 1 1 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.185 -0.485 25943 410 1 1 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.676 -0.360 25943 411 1 1 . 1 1 87 87 ARG H H 87 7.196 7.196 7.567 -0.371 25943 412 1 1 . 1 1 88 88 ASP N N 88 119.290 119.290 117.339 1.951 25943 413 1 1 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.683 0.011 25943 414 1 1 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.581 -0.912 25943 415 1 1 . 1 1 88 88 ASP CB C 88 42.419 42.419 42.167 0.252 25943 416 1 1 . 1 1 88 88 ASP H H 88 7.507 7.507 7.920 -0.413 25943 417 1 1 . 1 1 89 89 GLU N N 89 119.970 119.970 121.625 -1.655 25943 418 1 1 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.425 -1.021 25943 419 1 1 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.441 -0.006 25943 420 1 1 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.504 -1.283 25943 421 1 1 . 1 1 89 89 GLU H H 89 7.337 7.337 7.710 -0.373 25943 422 1 1 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.469 -0.263 25943 423 1 1 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.815 0.441 25943 424 1 1 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.565 -0.772 25943 425 1 2 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.661 -0.505 25943 426 1 2 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.952 -0.249 25943 427 1 2 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.693 -0.052 25943 428 1 2 . 1 1 3 3 SER N N 3 115.850 115.850 119.772 -3.922 25943 429 1 2 . 1 1 3 3 SER HA H 3 4.696 4.696 4.564 0.132 25943 430 1 2 . 1 1 3 3 SER CA C 3 57.756 57.756 58.642 -0.886 25943 431 1 2 . 1 1 3 3 SER CB C 3 64.325 64.325 63.997 0.328 25943 432 1 2 . 1 1 3 3 SER H H 3 8.757 8.757 8.432 0.325 25943 433 1 2 . 1 1 4 4 THR N N 4 118.590 118.590 120.312 -1.722 25943 434 1 2 . 1 1 4 4 THR HA H 4 4.213 4.213 4.324 -0.111 25943 435 1 2 . 1 1 4 4 THR CA C 4 64.714 64.714 64.950 -0.236 25943 436 1 2 . 1 1 4 4 THR CB C 4 68.864 68.864 69.278 -0.414 25943 437 1 2 . 1 1 4 4 THR H H 4 8.854 8.854 8.646 0.208 25943 438 1 2 . 1 1 5 5 ARG N N 5 122.240 122.240 121.016 1.224 25943 439 1 2 . 1 1 5 5 ARG HA H 5 3.969 3.969 3.973 -0.004 25943 440 1 2 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.337 -1.078 25943 441 1 2 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.260 1.011 25943 442 1 2 . 1 1 5 5 ARG H H 5 8.535 8.535 8.640 -0.105 25943 443 1 2 . 1 1 6 6 CYS N N 6 118.400 118.400 115.690 2.710 25943 444 1 2 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.293 -0.046 25943 445 1 2 . 1 1 6 6 CYS CA C 6 61.224 61.224 60.930 0.294 25943 446 1 2 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.768 0.435 25943 447 1 2 . 1 1 6 6 CYS H H 6 8.174 8.174 8.217 -0.043 25943 448 1 2 . 1 1 7 7 LYS N N 7 123.084 123.084 121.887 1.197 25943 449 1 2 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.037 0.031 25943 450 1 2 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.529 0.155 25943 451 1 2 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.333 0.504 25943 452 1 2 . 1 1 7 7 LYS H H 7 8.395 8.395 7.225 1.170 25943 453 1 2 . 1 1 8 8 LEU N N 8 120.110 120.110 118.827 1.283 25943 454 1 2 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.129 -0.155 25943 455 1 2 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.901 0.337 25943 456 1 2 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.234 0.220 25943 457 1 2 . 1 1 8 8 LEU H H 8 8.546 8.546 8.474 0.072 25943 458 1 2 . 1 1 9 9 ALA N N 9 118.910 118.910 121.184 -2.274 25943 459 1 2 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.037 -0.161 25943 460 1 2 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.217 0.420 25943 461 1 2 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.113 0.462 25943 462 1 2 . 1 1 9 9 ALA H H 9 8.076 8.076 7.663 0.413 25943 463 1 2 . 1 1 10 10 ARG N N 10 116.760 116.760 118.969 -2.209 25943 464 1 2 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.022 -0.070 25943 465 1 2 . 1 1 10 10 ARG CA C 10 58.710 58.710 58.686 0.024 25943 466 1 2 . 1 1 10 10 ARG CB C 10 29.724 29.724 29.458 0.266 25943 467 1 2 . 1 1 10 10 ARG H H 10 7.556 7.556 7.718 -0.162 25943 468 1 2 . 1 1 11 11 TYR N N 11 117.102 117.102 119.272 -2.170 25943 469 1 2 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.239 0.108 25943 470 1 2 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.939 -0.241 25943 471 1 2 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.450 -0.142 25943 472 1 2 . 1 1 11 11 TYR H H 11 7.510 7.510 7.474 0.036 25943 473 1 2 . 1 1 12 12 LEU N N 12 116.791 116.791 116.739 0.052 25943 474 1 2 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.996 -0.099 25943 475 1 2 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.086 0.490 25943 476 1 2 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.558 -0.612 25943 477 1 2 . 1 1 12 12 LEU H H 12 7.893 7.893 7.954 -0.061 25943 478 1 2 . 1 1 13 13 GLU N N 13 117.866 117.866 119.560 -1.694 25943 479 1 2 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.209 -0.961 25943 480 1 2 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.172 -0.506 25943 481 1 2 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.795 -1.542 25943 482 1 2 . 1 1 13 13 GLU H H 13 7.975 7.975 8.219 -0.244 25943 483 1 2 . 1 1 14 14 ASP N N 14 116.190 116.190 118.019 -1.829 25943 484 1 2 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.493 0.144 25943 485 1 2 . 1 1 14 14 ASP CA C 14 54.135 54.135 55.250 -1.115 25943 486 1 2 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.742 -2.088 25943 487 1 2 . 1 1 14 14 ASP H H 14 7.293 7.293 7.871 -0.578 25943 488 1 2 . 1 1 15 15 LEU N N 15 119.530 119.530 119.076 0.454 25943 489 1 2 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.373 -0.064 25943 490 1 2 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.991 0.698 25943 491 1 2 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.987 -1.057 25943 492 1 2 . 1 1 15 15 LEU H H 15 7.301 7.301 7.178 0.123 25943 493 1 2 . 1 1 16 16 GLU N N 16 121.840 121.840 119.805 2.035 25943 494 1 2 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.193 0.323 25943 495 1 2 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.593 -0.787 25943 496 1 2 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.380 -1.148 25943 497 1 2 . 1 1 16 16 GLU H H 16 8.837 8.837 8.473 0.364 25943 498 1 2 . 1 1 17 17 ASP N N 17 122.070 122.070 121.691 0.379 25943 499 1 2 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.350 -0.001 25943 500 1 2 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.679 1.089 25943 501 1 2 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.935 -0.577 25943 502 1 2 . 1 1 17 17 ASP H H 17 8.951 8.951 8.694 0.257 25943 503 1 2 . 1 1 18 18 VAL N N 18 118.150 118.150 119.777 -1.627 25943 504 1 2 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.859 -0.000 25943 505 1 2 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.381 0.605 25943 506 1 2 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.619 -0.076 25943 507 1 2 . 1 1 18 18 VAL H H 18 8.613 8.613 7.776 0.837 25943 508 1 2 . 1 1 19 19 ASP N N 19 120.600 120.600 118.342 2.258 25943 509 1 2 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.480 0.226 25943 510 1 2 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.993 -0.173 25943 511 1 2 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.389 1.469 25943 512 1 2 . 1 1 19 19 ASP H H 19 7.358 7.358 8.650 -1.292 25943 513 1 2 . 1 1 20 20 LEU N N 20 123.020 123.020 119.857 3.163 25943 514 1 2 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.079 0.068 25943 515 1 2 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.357 0.758 25943 516 1 2 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.881 -0.962 25943 517 1 2 . 1 1 20 20 LEU H H 20 8.635 8.635 7.707 0.928 25943 518 1 2 . 1 1 21 21 LYS N N 21 119.120 119.120 119.360 -0.240 25943 519 1 2 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.042 -0.010 25943 520 1 2 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.423 0.917 25943 521 1 2 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.218 0.073 25943 522 1 2 . 1 1 21 21 LYS H H 21 7.914 7.914 7.791 0.123 25943 523 1 2 . 1 1 22 22 LYS N N 22 118.660 118.660 118.786 -0.126 25943 524 1 2 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.169 0.011 25943 525 1 2 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.253 0.926 25943 526 1 2 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.334 1.281 25943 527 1 2 . 1 1 22 22 LYS H H 22 7.715 7.715 7.593 0.122 25943 528 1 2 . 1 1 23 23 PHE N N 23 123.360 123.360 121.275 2.085 25943 529 1 2 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.292 -0.321 25943 530 1 2 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.543 -0.153 25943 531 1 2 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.339 1.114 25943 532 1 2 . 1 1 23 23 PHE H H 23 9.148 9.148 7.985 1.163 25943 533 1 2 . 1 1 24 24 LYS N N 24 117.660 117.660 119.816 -2.156 25943 534 1 2 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.051 -0.276 25943 535 1 2 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.862 1.353 25943 536 1 2 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.489 0.818 25943 537 1 2 . 1 1 24 24 LYS H H 24 8.750 8.750 7.739 1.011 25943 538 1 2 . 1 1 25 25 MET N N 25 118.140 118.140 118.030 0.110 25943 539 1 2 . 1 1 25 25 MET HA H 25 3.955 3.955 4.129 -0.174 25943 540 1 2 . 1 1 25 25 MET CA C 25 59.261 59.261 59.066 0.196 25943 541 1 2 . 1 1 25 25 MET CB C 25 32.276 32.276 32.669 -0.393 25943 542 1 2 . 1 1 25 25 MET H H 25 8.005 8.005 7.787 0.218 25943 543 1 2 . 1 1 26 26 HIS N N 26 114.610 114.610 119.343 -4.733 25943 544 1 2 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.295 0.026 25943 545 1 2 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.705 -0.497 25943 546 1 2 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.698 -0.126 25943 547 1 2 . 1 1 26 26 HIS H H 26 7.779 7.779 7.747 0.032 25943 548 1 2 . 1 1 27 27 LEU N N 27 119.460 119.460 117.522 1.938 25943 549 1 2 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.239 -0.238 25943 550 1 2 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.239 0.506 25943 551 1 2 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.867 1.038 25943 552 1 2 . 1 1 27 27 LEU H H 27 7.954 7.954 7.329 0.625 25943 553 1 2 . 1 1 28 28 GLU N N 28 116.810 116.810 118.025 -1.215 25943 554 1 2 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.247 0.056 25943 555 1 2 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.018 -0.778 25943 556 1 2 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.453 -0.952 25943 557 1 2 . 1 1 28 28 GLU H H 28 7.870 7.870 7.576 0.294 25943 558 1 2 . 1 1 29 29 ASP N N 29 116.732 116.732 119.540 -2.808 25943 559 1 2 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.662 0.206 25943 560 1 2 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.775 -1.648 25943 561 1 2 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.390 -1.460 25943 562 1 2 . 1 1 29 29 ASP H H 29 7.548 7.548 7.805 -0.257 25943 563 1 2 . 1 1 30 30 TYR N N 30 125.460 125.460 120.866 4.594 25943 564 1 2 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.532 -0.198 25943 565 1 2 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.353 2.397 25943 566 1 2 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.984 0.065 25943 567 1 2 . 1 1 30 30 TYR H H 30 6.837 6.837 7.420 -0.583 25943 568 1 2 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.482 0.051 25943 569 1 2 . 1 1 32 32 PRO CA C 32 63.322 63.322 63.461 -0.139 25943 570 1 2 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.162 -0.833 25943 571 1 2 . 1 1 33 33 GLN N N 33 120.060 120.060 123.556 -3.496 25943 572 1 2 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.261 0.026 25943 573 1 2 . 1 1 33 33 GLN CA C 33 56.012 56.012 55.670 0.341 25943 574 1 2 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.100 0.630 25943 575 1 2 . 1 1 33 33 GLN H H 33 8.453 8.453 8.532 -0.079 25943 576 1 2 . 1 1 34 34 LYS N N 34 121.020 121.020 118.540 2.480 25943 577 1 2 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.110 0.017 25943 578 1 2 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.374 0.874 25943 579 1 2 . 1 1 34 34 LYS CB C 34 31.837 31.837 31.815 0.022 25943 580 1 2 . 1 1 34 34 LYS H H 34 8.376 8.376 8.263 0.113 25943 581 1 2 . 1 1 35 35 GLY N N 35 110.370 110.370 108.793 1.577 25943 582 1 2 . 1 1 35 35 GLY CA C 35 45.999 45.999 44.827 1.172 25943 583 1 2 . 1 1 35 35 GLY H H 35 8.630 8.630 8.278 0.352 25943 584 1 2 . 1 1 36 36 CYS N N 36 117.850 117.850 121.916 -4.066 25943 585 1 2 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.586 0.098 25943 586 1 2 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.103 -0.611 25943 587 1 2 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.494 1.425 25943 588 1 2 . 1 1 36 36 CYS H H 36 7.855 7.855 8.060 -0.205 25943 589 1 2 . 1 1 37 37 ILE N N 37 125.540 125.540 127.049 -1.509 25943 590 1 2 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.332 0.272 25943 591 1 2 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.127 -0.883 25943 592 1 2 . 1 1 37 37 ILE CB C 37 39.328 39.328 39.112 0.216 25943 593 1 2 . 1 1 37 37 ILE H H 37 9.362 9.362 8.341 1.021 25943 594 1 2 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.426 -0.076 25943 595 1 2 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.188 0.057 25943 596 1 2 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.162 0.298 25943 597 1 2 . 1 1 39 39 LEU N N 39 120.950 120.950 123.566 -2.616 25943 598 1 2 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.367 -0.477 25943 599 1 2 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.531 -0.178 25943 600 1 2 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.642 0.736 25943 601 1 2 . 1 1 39 39 LEU H H 39 7.503 7.503 8.234 -0.731 25943 602 1 2 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.422 -0.072 25943 603 1 2 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.681 -0.380 25943 604 1 2 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.547 -0.299 25943 605 1 2 . 1 1 41 41 ARG N N 41 127.030 127.030 126.150 0.880 25943 606 1 2 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.908 -0.080 25943 607 1 2 . 1 1 41 41 ARG CA C 41 60.704 60.704 60.208 0.496 25943 608 1 2 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.052 0.229 25943 609 1 2 . 1 1 41 41 ARG H H 41 8.997 8.997 8.790 0.207 25943 610 1 2 . 1 1 42 42 GLY N N 42 106.770 106.770 106.649 0.121 25943 611 1 2 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.853 0.652 25943 612 1 2 . 1 1 42 42 GLY H H 42 8.820 8.820 8.591 0.229 25943 613 1 2 . 1 1 43 43 GLN N N 43 118.070 118.070 120.721 -2.651 25943 614 1 2 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.130 -0.116 25943 615 1 2 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.487 0.210 25943 616 1 2 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.378 1.442 25943 617 1 2 . 1 1 43 43 GLN H H 43 7.724 7.724 8.235 -0.511 25943 618 1 2 . 1 1 44 44 THR N N 44 115.670 115.670 115.670 0.000 25943 619 1 2 . 1 1 44 44 THR HA H 44 4.220 4.220 4.085 0.135 25943 620 1 2 . 1 1 44 44 THR CA C 44 67.781 67.781 66.304 1.477 25943 621 1 2 . 1 1 44 44 THR CB C 44 67.781 67.781 68.702 -0.921 25943 622 1 2 . 1 1 44 44 THR H H 44 7.641 7.641 8.107 -0.466 25943 623 1 2 . 1 1 45 45 GLU N N 45 119.340 119.340 121.037 -1.697 25943 624 1 2 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.111 -0.361 25943 625 1 2 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.802 1.027 25943 626 1 2 . 1 1 45 45 GLU CB C 45 29.325 29.325 28.807 0.518 25943 627 1 2 . 1 1 45 45 GLU H H 45 8.412 8.412 8.328 0.084 25943 628 1 2 . 1 1 46 46 LYS N N 46 115.700 115.700 118.797 -3.097 25943 629 1 2 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.155 0.017 25943 630 1 2 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.441 0.396 25943 631 1 2 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.726 0.555 25943 632 1 2 . 1 1 46 46 LYS H H 46 7.289 7.289 7.726 -0.437 25943 633 1 2 . 1 1 47 47 ALA N N 47 121.880 121.880 122.524 -0.644 25943 634 1 2 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.265 0.022 25943 635 1 2 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.674 0.427 25943 636 1 2 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.331 0.345 25943 637 1 2 . 1 1 47 47 ALA H H 47 7.072 7.072 7.045 0.027 25943 638 1 2 . 1 1 48 48 ASP N N 48 121.440 121.440 121.453 -0.013 25943 639 1 2 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.678 -0.015 25943 640 1 2 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.055 -1.009 25943 641 1 2 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.715 -3.012 25943 642 1 2 . 1 1 48 48 ASP H H 48 8.654 8.654 8.271 0.383 25943 643 1 2 . 1 1 49 49 HIS N N 49 112.540 112.540 118.536 -5.996 25943 644 1 2 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.322 -0.350 25943 645 1 2 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.098 1.178 25943 646 1 2 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.760 -1.019 25943 647 1 2 . 1 1 49 49 HIS H H 49 8.316 8.316 8.937 -0.621 25943 648 1 2 . 1 1 50 50 VAL N N 50 117.460 117.460 118.152 -0.692 25943 649 1 2 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.741 -0.064 25943 650 1 2 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.351 -0.528 25943 651 1 2 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.072 0.731 25943 652 1 2 . 1 1 50 50 VAL H H 50 7.610 7.610 7.550 0.060 25943 653 1 2 . 1 1 51 51 ASP N N 51 121.430 121.430 120.035 1.395 25943 654 1 2 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.413 0.022 25943 655 1 2 . 1 1 51 51 ASP CA C 51 56.592 56.592 56.987 -0.395 25943 656 1 2 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.736 -1.321 25943 657 1 2 . 1 1 51 51 ASP H H 51 8.490 8.490 8.027 0.463 25943 658 1 2 . 1 1 52 52 LEU N N 52 121.030 121.030 120.533 0.497 25943 659 1 2 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.899 0.068 25943 660 1 2 . 1 1 52 52 LEU CA C 52 57.677 57.677 57.800 -0.124 25943 661 1 2 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.743 -0.035 25943 662 1 2 . 1 1 52 52 LEU H H 52 8.649 8.649 8.432 0.217 25943 663 1 2 . 1 1 53 53 ALA N N 53 120.440 120.440 119.416 1.024 25943 664 1 2 . 1 1 53 53 ALA HA H 53 3.935 3.935 3.992 -0.057 25943 665 1 2 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.773 0.826 25943 666 1 2 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.295 -0.201 25943 667 1 2 . 1 1 53 53 ALA H H 53 7.423 7.423 7.625 -0.202 25943 668 1 2 . 1 1 54 54 THR N N 54 113.210 113.210 116.128 -2.918 25943 669 1 2 . 1 1 54 54 THR HA H 54 3.712 3.712 4.100 -0.388 25943 670 1 2 . 1 1 54 54 THR CA C 54 66.864 66.864 66.820 0.044 25943 671 1 2 . 1 1 54 54 THR CB C 54 68.868 68.868 68.583 0.285 25943 672 1 2 . 1 1 54 54 THR H H 54 7.683 7.683 7.459 0.224 25943 673 1 2 . 1 1 55 55 LEU N N 55 122.800 122.800 122.265 0.535 25943 674 1 2 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.274 -0.100 25943 675 1 2 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.081 0.322 25943 676 1 2 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.487 1.551 25943 677 1 2 . 1 1 55 55 LEU H H 55 8.314 8.314 8.063 0.251 25943 678 1 2 . 1 1 56 56 MET N N 56 115.790 115.790 118.203 -2.413 25943 679 1 2 . 1 1 56 56 MET HA H 56 3.831 3.831 4.053 -0.222 25943 680 1 2 . 1 1 56 56 MET CA C 56 60.849 60.849 59.868 0.981 25943 681 1 2 . 1 1 56 56 MET CB C 56 34.668 34.668 32.770 1.897 25943 682 1 2 . 1 1 56 56 MET H H 56 8.379 8.379 7.641 0.738 25943 683 1 2 . 1 1 57 57 ILE N N 57 120.370 120.370 119.163 1.207 25943 684 1 2 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.676 -0.239 25943 685 1 2 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.743 0.107 25943 686 1 2 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.716 0.636 25943 687 1 2 . 1 1 57 57 ILE H H 57 8.007 8.007 7.622 0.385 25943 688 1 2 . 1 1 58 58 ASP N N 58 122.569 122.569 120.517 2.052 25943 689 1 2 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.392 -0.045 25943 690 1 2 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.430 -0.768 25943 691 1 2 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.149 -3.239 25943 692 1 2 . 1 1 58 58 ASP H H 58 9.271 9.271 8.102 1.169 25943 693 1 2 . 1 1 59 59 PHE N N 59 114.340 114.340 117.984 -3.644 25943 694 1 2 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.445 -0.221 25943 695 1 2 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.619 0.757 25943 696 1 2 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.450 1.081 25943 697 1 2 . 1 1 59 59 PHE H H 59 8.025 8.025 8.472 -0.447 25943 698 1 2 . 1 1 60 60 ASN N N 60 112.830 112.830 115.022 -2.192 25943 699 1 2 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.769 -0.637 25943 700 1 2 . 1 1 60 60 ASN CA C 60 54.614 54.614 54.050 0.564 25943 701 1 2 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.781 2.179 25943 702 1 2 . 1 1 60 60 ASN H H 60 7.601 7.601 7.912 -0.311 25943 703 1 2 . 1 1 61 61 GLY N N 61 110.840 110.840 108.127 2.713 25943 704 1 2 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.596 0.146 25943 705 1 2 . 1 1 61 61 GLY H H 61 8.626 8.626 7.652 0.974 25943 706 1 2 . 1 1 62 62 GLU N N 62 117.990 117.990 121.650 -3.660 25943 707 1 2 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.995 -0.063 25943 708 1 2 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.328 2.411 25943 709 1 2 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.796 0.452 25943 710 1 2 . 1 1 62 62 GLU H H 62 8.841 8.841 8.898 -0.057 25943 711 1 2 . 1 1 63 63 GLU N N 63 118.090 118.090 119.066 -0.976 25943 712 1 2 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.224 -0.196 25943 713 1 2 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.374 1.378 25943 714 1 2 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.105 -0.781 25943 715 1 2 . 1 1 63 63 GLU H H 63 8.535 8.535 8.794 -0.259 25943 716 1 2 . 1 1 64 64 LYS N N 64 119.720 119.720 119.909 -0.189 25943 717 1 2 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.205 -0.123 25943 718 1 2 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.785 0.399 25943 719 1 2 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.397 -0.639 25943 720 1 2 . 1 1 64 64 LYS H H 64 9.107 9.107 8.057 1.050 25943 721 1 2 . 1 1 65 65 ALA N N 65 120.030 120.030 122.780 -2.750 25943 722 1 2 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.046 -0.128 25943 723 1 2 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.156 0.778 25943 724 1 2 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.171 1.418 25943 725 1 2 . 1 1 65 65 ALA H H 65 8.179 8.179 8.021 0.158 25943 726 1 2 . 1 1 66 66 TRP N N 66 116.210 116.210 118.782 -2.572 25943 727 1 2 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.192 -0.218 25943 728 1 2 . 1 1 66 66 TRP CA C 66 61.302 61.302 61.003 0.299 25943 729 1 2 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.325 -0.370 25943 730 1 2 . 1 1 66 66 TRP H H 66 7.900 7.900 7.605 0.295 25943 731 1 2 . 1 1 67 67 ALA N N 67 119.640 119.640 121.717 -2.077 25943 732 1 2 . 1 1 67 67 ALA HA H 67 4.031 4.031 3.993 0.038 25943 733 1 2 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.109 0.503 25943 734 1 2 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.172 -0.066 25943 735 1 2 . 1 1 67 67 ALA H H 67 7.754 7.754 7.799 -0.045 25943 736 1 2 . 1 1 68 68 MET N N 68 118.260 118.260 117.248 1.012 25943 737 1 2 . 1 1 68 68 MET HA H 68 4.262 4.262 4.148 0.114 25943 738 1 2 . 1 1 68 68 MET CA C 68 58.647 58.647 59.163 -0.516 25943 739 1 2 . 1 1 68 68 MET CB C 68 34.369 34.369 32.786 1.583 25943 740 1 2 . 1 1 68 68 MET H H 68 8.500 8.500 8.420 0.080 25943 741 1 2 . 1 1 69 69 ALA N N 69 120.358 120.358 122.622 -2.264 25943 742 1 2 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.941 -0.368 25943 743 1 2 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.133 0.496 25943 744 1 2 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.361 -0.648 25943 745 1 2 . 1 1 69 69 ALA H H 69 7.922 7.922 8.240 -0.318 25943 746 1 2 . 1 1 70 70 VAL N N 70 114.916 114.916 115.726 -0.810 25943 747 1 2 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.647 -0.244 25943 748 1 2 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.216 2.718 25943 749 1 2 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.005 1.284 25943 750 1 2 . 1 1 70 70 VAL H H 70 8.202 8.202 8.229 -0.027 25943 751 1 2 . 1 1 71 71 TRP N N 71 118.400 118.400 122.887 -4.487 25943 752 1 2 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.260 -0.123 25943 753 1 2 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.510 0.752 25943 754 1 2 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.705 -0.463 25943 755 1 2 . 1 1 71 71 TRP H H 71 7.806 7.806 7.743 0.063 25943 756 1 2 . 1 1 72 72 ILE N N 72 119.430 119.430 119.548 -0.118 25943 757 1 2 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.451 -0.329 25943 758 1 2 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.684 1.179 25943 759 1 2 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.810 -1.140 25943 760 1 2 . 1 1 72 72 ILE H H 72 8.654 8.654 7.559 1.095 25943 761 1 2 . 1 1 73 73 PHE N N 73 118.760 118.760 118.759 0.001 25943 762 1 2 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.126 0.388 25943 763 1 2 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.903 -0.749 25943 764 1 2 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.212 0.109 25943 765 1 2 . 1 1 73 73 PHE H H 73 9.015 9.015 6.942 2.073 25943 766 1 2 . 1 1 74 74 ALA N N 74 118.190 118.190 119.618 -1.428 25943 767 1 2 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.902 -0.241 25943 768 1 2 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.376 0.786 25943 769 1 2 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.845 -0.694 25943 770 1 2 . 1 1 74 74 ALA H H 74 7.363 7.363 7.671 -0.308 25943 771 1 2 . 1 1 75 75 ALA N N 75 122.920 122.920 122.759 0.161 25943 772 1 2 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.914 -0.179 25943 773 1 2 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.225 0.401 25943 774 1 2 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.540 -0.963 25943 775 1 2 . 1 1 75 75 ALA H H 75 7.640 7.640 7.196 0.444 25943 776 1 2 . 1 1 76 76 ILE N N 76 108.850 108.850 113.344 -4.494 25943 777 1 2 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.224 0.272 25943 778 1 2 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.457 0.221 25943 779 1 2 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.596 0.796 25943 780 1 2 . 1 1 76 76 ILE H H 76 7.901 7.901 7.517 0.384 25943 781 1 2 . 1 1 77 77 ASN N N 77 116.232 116.232 118.996 -2.764 25943 782 1 2 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.385 -0.127 25943 783 1 2 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.153 0.917 25943 784 1 2 . 1 1 77 77 ASN CB C 77 36.918 36.918 38.078 -1.161 25943 785 1 2 . 1 1 77 77 ASN H H 77 7.865 7.865 7.577 0.288 25943 786 1 2 . 1 1 78 78 ARG N N 78 118.810 118.810 119.056 -0.246 25943 787 1 2 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.597 0.371 25943 788 1 2 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.493 -4.570 25943 789 1 2 . 1 1 78 78 ARG CB C 78 26.617 26.617 31.314 -4.697 25943 790 1 2 . 1 1 78 78 ARG H H 78 8.325 8.325 7.954 0.371 25943 791 1 2 . 1 1 79 79 ARG N N 79 122.270 122.270 119.413 2.857 25943 792 1 2 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.032 -0.121 25943 793 1 2 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.998 -0.804 25943 794 1 2 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.909 -0.351 25943 795 1 2 . 1 1 79 79 ARG H H 79 8.171 8.171 8.564 -0.393 25943 796 1 2 . 1 1 80 80 ASP N N 80 117.180 117.180 120.206 -3.026 25943 797 1 2 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.439 -0.580 25943 798 1 2 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.050 0.115 25943 799 1 2 . 1 1 80 80 ASP CB C 80 38.372 38.372 39.582 -1.210 25943 800 1 2 . 1 1 80 80 ASP H H 80 9.124 9.124 8.221 0.903 25943 801 1 2 . 1 1 81 81 LEU N N 81 120.540 120.540 120.379 0.161 25943 802 1 2 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.104 -0.265 25943 803 1 2 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.247 -0.484 25943 804 1 2 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.967 -1.678 25943 805 1 2 . 1 1 81 81 LEU H H 81 7.267 7.267 8.068 -0.801 25943 806 1 2 . 1 1 82 82 TYR N N 82 119.140 119.140 120.377 -1.237 25943 807 1 2 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.336 -0.177 25943 808 1 2 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.312 0.927 25943 809 1 2 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.311 0.380 25943 810 1 2 . 1 1 82 82 TYR H H 82 8.041 8.041 8.276 -0.235 25943 811 1 2 . 1 1 83 83 GLU N N 83 115.620 115.620 119.589 -3.969 25943 812 1 2 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.551 0.145 25943 813 1 2 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.052 0.028 25943 814 1 2 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.251 -0.114 25943 815 1 2 . 1 1 83 83 GLU H H 83 8.194 8.194 7.725 0.469 25943 816 1 2 . 1 1 84 84 LYS N N 84 118.080 118.080 118.909 -0.829 25943 817 1 2 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.133 -0.216 25943 818 1 2 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.818 0.946 25943 819 1 2 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.613 0.761 25943 820 1 2 . 1 1 84 84 LYS H H 84 7.446 7.446 7.459 -0.013 25943 821 1 2 . 1 1 85 85 ALA N N 85 120.470 120.470 122.073 -1.603 25943 822 1 2 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.075 0.048 25943 823 1 2 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.006 0.104 25943 824 1 2 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.367 0.015 25943 825 1 2 . 1 1 85 85 ALA H H 85 8.651 8.651 8.270 0.381 25943 826 1 2 . 1 1 86 86 LYS N N 86 117.610 117.610 116.952 0.658 25943 827 1 2 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.982 0.028 25943 828 1 2 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.419 0.750 25943 829 1 2 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.182 -0.391 25943 830 1 2 . 1 1 86 86 LYS H H 86 8.059 8.059 7.692 0.367 25943 831 1 2 . 1 1 87 87 ARG N N 87 116.900 116.900 118.063 -1.163 25943 832 1 2 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.169 -0.004 25943 833 1 2 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.442 -0.742 25943 834 1 2 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.537 -0.221 25943 835 1 2 . 1 1 87 87 ARG H H 87 7.196 7.196 7.898 -0.702 25943 836 1 2 . 1 1 88 88 ASP N N 88 119.290 119.290 116.885 2.405 25943 837 1 2 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.713 -0.019 25943 838 1 2 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.723 -1.054 25943 839 1 2 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.369 1.050 25943 840 1 2 . 1 1 88 88 ASP H H 88 7.507 7.507 7.557 -0.050 25943 841 1 2 . 1 1 89 89 GLU N N 89 119.970 119.970 121.542 -1.572 25943 842 1 2 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.013 -0.609 25943 843 1 2 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.989 -0.554 25943 844 1 2 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.781 -1.560 25943 845 1 2 . 1 1 89 89 GLU H H 89 7.337 7.337 7.332 0.005 25943 846 1 2 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.396 -0.190 25943 847 1 2 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.938 0.318 25943 848 1 2 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.256 -0.463 25943 849 1 3 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.471 -0.315 25943 850 1 3 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.786 -0.083 25943 851 1 3 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.896 -0.255 25943 852 1 3 . 1 1 3 3 SER N N 3 115.850 115.850 117.911 -2.061 25943 853 1 3 . 1 1 3 3 SER HA H 3 4.696 4.696 4.537 0.159 25943 854 1 3 . 1 1 3 3 SER CA C 3 57.756 57.756 58.401 -0.645 25943 855 1 3 . 1 1 3 3 SER CB C 3 64.325 64.325 64.023 0.302 25943 856 1 3 . 1 1 3 3 SER H H 3 8.757 8.757 8.474 0.283 25943 857 1 3 . 1 1 4 4 THR N N 4 118.590 118.590 120.324 -1.734 25943 858 1 3 . 1 1 4 4 THR HA H 4 4.213 4.213 4.181 0.032 25943 859 1 3 . 1 1 4 4 THR CA C 4 64.714 64.714 65.220 -0.506 25943 860 1 3 . 1 1 4 4 THR CB C 4 68.864 68.864 69.034 -0.170 25943 861 1 3 . 1 1 4 4 THR H H 4 8.854 8.854 8.637 0.217 25943 862 1 3 . 1 1 5 5 ARG N N 5 122.240 122.240 121.408 0.832 25943 863 1 3 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.073 -0.104 25943 864 1 3 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.052 0.207 25943 865 1 3 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.035 1.236 25943 866 1 3 . 1 1 5 5 ARG H H 5 8.535 8.535 8.670 -0.135 25943 867 1 3 . 1 1 6 6 CYS N N 6 118.400 118.400 116.803 1.597 25943 868 1 3 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.427 -0.180 25943 869 1 3 . 1 1 6 6 CYS CA C 6 61.224 61.224 60.983 0.241 25943 870 1 3 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.965 0.238 25943 871 1 3 . 1 1 6 6 CYS H H 6 8.174 8.174 8.427 -0.253 25943 872 1 3 . 1 1 7 7 LYS N N 7 123.084 123.084 121.770 1.314 25943 873 1 3 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.172 -0.104 25943 874 1 3 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.165 0.519 25943 875 1 3 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.218 0.619 25943 876 1 3 . 1 1 7 7 LYS H H 7 8.395 8.395 7.627 0.768 25943 877 1 3 . 1 1 8 8 LEU N N 8 120.110 120.110 119.129 0.981 25943 878 1 3 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.033 -0.059 25943 879 1 3 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.539 0.699 25943 880 1 3 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.596 -0.142 25943 881 1 3 . 1 1 8 8 LEU H H 8 8.546 8.546 7.982 0.564 25943 882 1 3 . 1 1 9 9 ALA N N 9 118.910 118.910 121.763 -2.853 25943 883 1 3 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.045 -0.169 25943 884 1 3 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.122 0.514 25943 885 1 3 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.364 0.211 25943 886 1 3 . 1 1 9 9 ALA H H 9 8.076 8.076 7.816 0.260 25943 887 1 3 . 1 1 10 10 ARG N N 10 116.760 116.760 118.236 -1.476 25943 888 1 3 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.036 -0.084 25943 889 1 3 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.160 -0.450 25943 890 1 3 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.223 -0.498 25943 891 1 3 . 1 1 10 10 ARG H H 10 7.556 7.556 7.652 -0.096 25943 892 1 3 . 1 1 11 11 TYR N N 11 117.102 117.102 120.638 -3.536 25943 893 1 3 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.478 -0.131 25943 894 1 3 . 1 1 11 11 TYR CA C 11 61.698 61.698 60.800 0.898 25943 895 1 3 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.282 0.026 25943 896 1 3 . 1 1 11 11 TYR H H 11 7.510 7.510 7.596 -0.086 25943 897 1 3 . 1 1 12 12 LEU N N 12 116.791 116.791 116.209 0.582 25943 898 1 3 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.895 0.002 25943 899 1 3 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.331 0.245 25943 900 1 3 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.301 -0.355 25943 901 1 3 . 1 1 12 12 LEU H H 12 7.893 7.893 7.847 0.046 25943 902 1 3 . 1 1 13 13 GLU N N 13 117.866 117.866 116.200 1.666 25943 903 1 3 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.166 -0.918 25943 904 1 3 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.550 0.116 25943 905 1 3 . 1 1 13 13 GLU CB C 13 28.253 28.253 30.045 -1.792 25943 906 1 3 . 1 1 13 13 GLU H H 13 7.975 7.975 7.569 0.406 25943 907 1 3 . 1 1 14 14 ASP N N 14 116.190 116.190 117.169 -0.979 25943 908 1 3 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.412 0.225 25943 909 1 3 . 1 1 14 14 ASP CA C 14 54.135 54.135 55.022 -0.887 25943 910 1 3 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.534 -1.880 25943 911 1 3 . 1 1 14 14 ASP H H 14 7.293 7.293 7.879 -0.586 25943 912 1 3 . 1 1 15 15 LEU N N 15 119.530 119.530 120.672 -1.142 25943 913 1 3 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.156 0.153 25943 914 1 3 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.466 0.223 25943 915 1 3 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.480 -0.550 25943 916 1 3 . 1 1 15 15 LEU H H 15 7.301 7.301 7.213 0.088 25943 917 1 3 . 1 1 16 16 GLU N N 16 121.840 121.840 119.326 2.514 25943 918 1 3 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.210 0.306 25943 919 1 3 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.443 -0.637 25943 920 1 3 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.211 -0.979 25943 921 1 3 . 1 1 16 16 GLU H H 16 8.837 8.837 8.405 0.432 25943 922 1 3 . 1 1 17 17 ASP N N 17 122.070 122.070 121.683 0.387 25943 923 1 3 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.319 0.030 25943 924 1 3 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.769 1.000 25943 925 1 3 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.861 -0.503 25943 926 1 3 . 1 1 17 17 ASP H H 17 8.951 8.951 8.658 0.293 25943 927 1 3 . 1 1 18 18 VAL N N 18 118.150 118.150 119.367 -1.217 25943 928 1 3 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.786 0.073 25943 929 1 3 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.364 0.622 25943 930 1 3 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.365 0.178 25943 931 1 3 . 1 1 18 18 VAL H H 18 8.613 8.613 8.010 0.603 25943 932 1 3 . 1 1 19 19 ASP N N 19 120.600 120.600 119.518 1.082 25943 933 1 3 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.523 0.183 25943 934 1 3 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.428 -0.608 25943 935 1 3 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.927 0.931 25943 936 1 3 . 1 1 19 19 ASP H H 19 7.358 7.358 7.841 -0.483 25943 937 1 3 . 1 1 20 20 LEU N N 20 123.020 123.020 119.796 3.224 25943 938 1 3 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.163 -0.016 25943 939 1 3 . 1 1 20 20 LEU CA C 20 58.115 58.115 58.041 0.074 25943 940 1 3 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.849 -0.930 25943 941 1 3 . 1 1 20 20 LEU H H 20 8.635 8.635 7.869 0.766 25943 942 1 3 . 1 1 21 21 LYS N N 21 119.120 119.120 119.580 -0.460 25943 943 1 3 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.087 -0.055 25943 944 1 3 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.617 0.723 25943 945 1 3 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.247 0.044 25943 946 1 3 . 1 1 21 21 LYS H H 21 7.914 7.914 7.523 0.391 25943 947 1 3 . 1 1 22 22 LYS N N 22 118.660 118.660 119.211 -0.551 25943 948 1 3 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.151 0.029 25943 949 1 3 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.321 0.858 25943 950 1 3 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.608 1.007 25943 951 1 3 . 1 1 22 22 LYS H H 22 7.715 7.715 7.640 0.075 25943 952 1 3 . 1 1 23 23 PHE N N 23 123.360 123.360 120.935 2.425 25943 953 1 3 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.316 -0.345 25943 954 1 3 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.629 -0.239 25943 955 1 3 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.439 1.014 25943 956 1 3 . 1 1 23 23 PHE H H 23 9.148 9.148 8.799 0.349 25943 957 1 3 . 1 1 24 24 LYS N N 24 117.660 117.660 119.664 -2.004 25943 958 1 3 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.156 -0.381 25943 959 1 3 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.447 1.768 25943 960 1 3 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.577 0.730 25943 961 1 3 . 1 1 24 24 LYS H H 24 8.750 8.750 7.795 0.955 25943 962 1 3 . 1 1 25 25 MET N N 25 118.140 118.140 119.462 -1.322 25943 963 1 3 . 1 1 25 25 MET HA H 25 3.955 3.955 4.284 -0.329 25943 964 1 3 . 1 1 25 25 MET CA C 25 59.261 59.261 57.370 1.891 25943 965 1 3 . 1 1 25 25 MET CB C 25 32.276 32.276 31.982 0.294 25943 966 1 3 . 1 1 25 25 MET H H 25 8.005 8.005 7.954 0.051 25943 967 1 3 . 1 1 26 26 HIS N N 26 114.610 114.610 119.522 -4.912 25943 968 1 3 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.343 -0.022 25943 969 1 3 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.069 0.139 25943 970 1 3 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.733 -0.161 25943 971 1 3 . 1 1 26 26 HIS H H 26 7.779 7.779 8.066 -0.287 25943 972 1 3 . 1 1 27 27 LEU N N 27 119.460 119.460 118.167 1.293 25943 973 1 3 . 1 1 27 27 LEU HA H 27 4.001 4.001 3.904 0.097 25943 974 1 3 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.607 0.139 25943 975 1 3 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.034 0.872 25943 976 1 3 . 1 1 27 27 LEU H H 27 7.954 7.954 7.435 0.519 25943 977 1 3 . 1 1 28 28 GLU N N 28 116.810 116.810 118.771 -1.961 25943 978 1 3 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.132 0.171 25943 979 1 3 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.837 -1.597 25943 980 1 3 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.742 -1.241 25943 981 1 3 . 1 1 28 28 GLU H H 28 7.870 7.870 7.676 0.194 25943 982 1 3 . 1 1 29 29 ASP N N 29 116.732 116.732 117.701 -0.969 25943 983 1 3 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.800 0.068 25943 984 1 3 . 1 1 29 29 ASP CA C 29 52.127 52.127 54.257 -2.130 25943 985 1 3 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.913 -1.983 25943 986 1 3 . 1 1 29 29 ASP H H 29 7.548 7.548 7.832 -0.284 25943 987 1 3 . 1 1 30 30 TYR N N 30 125.460 125.460 123.397 2.063 25943 988 1 3 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.544 -0.210 25943 989 1 3 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.044 2.706 25943 990 1 3 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.817 0.232 25943 991 1 3 . 1 1 30 30 TYR H H 30 6.837 6.837 7.543 -0.706 25943 992 1 3 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.518 0.015 25943 993 1 3 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.702 0.620 25943 994 1 3 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.303 -0.974 25943 995 1 3 . 1 1 33 33 GLN N N 33 120.060 120.060 123.088 -3.028 25943 996 1 3 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.219 0.068 25943 997 1 3 . 1 1 33 33 GLN CA C 33 56.012 56.012 57.198 -1.186 25943 998 1 3 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.665 0.065 25943 999 1 3 . 1 1 33 33 GLN H H 33 8.453 8.453 8.817 -0.364 25943 1000 1 3 . 1 1 34 34 LYS N N 34 121.020 121.020 119.015 2.005 25943 1001 1 3 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.486 -0.359 25943 1002 1 3 . 1 1 34 34 LYS CA C 34 57.248 57.248 55.864 1.384 25943 1003 1 3 . 1 1 34 34 LYS CB C 34 31.837 31.837 33.077 -1.240 25943 1004 1 3 . 1 1 34 34 LYS H H 34 8.376 8.376 7.999 0.377 25943 1005 1 3 . 1 1 35 35 GLY N N 35 110.370 110.370 108.395 1.975 25943 1006 1 3 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.362 0.637 25943 1007 1 3 . 1 1 35 35 GLY H H 35 8.630 8.630 8.300 0.330 25943 1008 1 3 . 1 1 36 36 CYS N N 36 117.850 117.850 118.668 -0.818 25943 1009 1 3 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.270 0.414 25943 1010 1 3 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.048 -0.556 25943 1011 1 3 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.781 1.138 25943 1012 1 3 . 1 1 36 36 CYS H H 36 7.855 7.855 7.840 0.015 25943 1013 1 3 . 1 1 37 37 ILE N N 37 125.540 125.540 128.234 -2.694 25943 1014 1 3 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.314 0.290 25943 1015 1 3 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.778 -1.535 25943 1016 1 3 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.092 1.236 25943 1017 1 3 . 1 1 37 37 ILE H H 37 9.362 9.362 8.395 0.967 25943 1018 1 3 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.373 -0.023 25943 1019 1 3 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.514 -0.269 25943 1020 1 3 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.032 0.428 25943 1021 1 3 . 1 1 39 39 LEU N N 39 120.950 120.950 125.294 -4.344 25943 1022 1 3 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.287 -0.397 25943 1023 1 3 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.959 -0.606 25943 1024 1 3 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.649 0.729 25943 1025 1 3 . 1 1 39 39 LEU H H 39 7.503 7.503 8.299 -0.796 25943 1026 1 3 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.410 -0.060 25943 1027 1 3 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.615 -0.315 25943 1028 1 3 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.599 -0.351 25943 1029 1 3 . 1 1 41 41 ARG N N 41 127.030 127.030 126.422 0.608 25943 1030 1 3 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.087 -0.259 25943 1031 1 3 . 1 1 41 41 ARG CA C 41 60.704 60.704 60.096 0.608 25943 1032 1 3 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.203 0.078 25943 1033 1 3 . 1 1 41 41 ARG H H 41 8.997 8.997 8.679 0.318 25943 1034 1 3 . 1 1 42 42 GLY N N 42 106.770 106.770 106.676 0.094 25943 1035 1 3 . 1 1 42 42 GLY CA C 42 47.505 47.505 47.032 0.473 25943 1036 1 3 . 1 1 42 42 GLY H H 42 8.820 8.820 8.630 0.190 25943 1037 1 3 . 1 1 43 43 GLN N N 43 118.070 118.070 120.139 -2.069 25943 1038 1 3 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.245 -0.231 25943 1039 1 3 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.708 -0.011 25943 1040 1 3 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.294 1.526 25943 1041 1 3 . 1 1 43 43 GLN H H 43 7.724 7.724 8.444 -0.720 25943 1042 1 3 . 1 1 44 44 THR N N 44 115.670 115.670 116.878 -1.208 25943 1043 1 3 . 1 1 44 44 THR HA H 44 4.220 4.220 4.002 0.218 25943 1044 1 3 . 1 1 44 44 THR CA C 44 67.781 67.781 66.445 1.336 25943 1045 1 3 . 1 1 44 44 THR CB C 44 67.781 67.781 68.398 -0.617 25943 1046 1 3 . 1 1 44 44 THR H H 44 7.641 7.641 8.008 -0.367 25943 1047 1 3 . 1 1 45 45 GLU N N 45 119.340 119.340 120.971 -1.631 25943 1048 1 3 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.032 -0.282 25943 1049 1 3 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.873 0.956 25943 1050 1 3 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.049 0.276 25943 1051 1 3 . 1 1 45 45 GLU H H 45 8.412 8.412 8.378 0.034 25943 1052 1 3 . 1 1 46 46 LYS N N 46 115.700 115.700 115.839 -0.139 25943 1053 1 3 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.192 -0.020 25943 1054 1 3 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.492 0.345 25943 1055 1 3 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.681 0.600 25943 1056 1 3 . 1 1 46 46 LYS H H 46 7.289 7.289 7.491 -0.202 25943 1057 1 3 . 1 1 47 47 ALA N N 47 121.880 121.880 122.533 -0.653 25943 1058 1 3 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.176 0.111 25943 1059 1 3 . 1 1 47 47 ALA CA C 47 53.101 53.101 51.955 1.146 25943 1060 1 3 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.704 -0.028 25943 1061 1 3 . 1 1 47 47 ALA H H 47 7.072 7.072 7.284 -0.212 25943 1062 1 3 . 1 1 48 48 ASP N N 48 121.440 121.440 124.529 -3.089 25943 1063 1 3 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.550 0.113 25943 1064 1 3 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.800 -1.754 25943 1065 1 3 . 1 1 48 48 ASP CB C 48 39.703 39.703 41.893 -2.190 25943 1066 1 3 . 1 1 48 48 ASP H H 48 8.654 8.654 8.259 0.395 25943 1067 1 3 . 1 1 49 49 HIS N N 49 112.540 112.540 119.272 -6.732 25943 1068 1 3 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.216 -0.244 25943 1069 1 3 . 1 1 49 49 HIS CA C 49 60.276 60.276 60.855 -0.579 25943 1070 1 3 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.743 -1.002 25943 1071 1 3 . 1 1 49 49 HIS H H 49 8.316 8.316 8.492 -0.176 25943 1072 1 3 . 1 1 50 50 VAL N N 50 117.460 117.460 118.162 -0.702 25943 1073 1 3 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.719 -0.042 25943 1074 1 3 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.655 -0.832 25943 1075 1 3 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.675 0.127 25943 1076 1 3 . 1 1 50 50 VAL H H 50 7.610 7.610 8.019 -0.409 25943 1077 1 3 . 1 1 51 51 ASP N N 51 121.430 121.430 119.383 2.047 25943 1078 1 3 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.345 0.090 25943 1079 1 3 . 1 1 51 51 ASP CA C 51 56.592 56.592 56.938 -0.346 25943 1080 1 3 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.229 -0.814 25943 1081 1 3 . 1 1 51 51 ASP H H 51 8.490 8.490 7.956 0.534 25943 1082 1 3 . 1 1 52 52 LEU N N 52 121.030 121.030 120.658 0.372 25943 1083 1 3 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.937 0.030 25943 1084 1 3 . 1 1 52 52 LEU CA C 52 57.677 57.677 57.955 -0.278 25943 1085 1 3 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.818 -0.110 25943 1086 1 3 . 1 1 52 52 LEU H H 52 8.649 8.649 8.546 0.103 25943 1087 1 3 . 1 1 53 53 ALA N N 53 120.440 120.440 118.664 1.776 25943 1088 1 3 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.121 -0.186 25943 1089 1 3 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.130 0.468 25943 1090 1 3 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.176 -0.082 25943 1091 1 3 . 1 1 53 53 ALA H H 53 7.423 7.423 7.843 -0.420 25943 1092 1 3 . 1 1 54 54 THR N N 54 113.210 113.210 116.485 -3.275 25943 1093 1 3 . 1 1 54 54 THR HA H 54 3.712 3.712 4.108 -0.396 25943 1094 1 3 . 1 1 54 54 THR CA C 54 66.864 66.864 67.029 -0.165 25943 1095 1 3 . 1 1 54 54 THR CB C 54 68.868 68.868 68.552 0.316 25943 1096 1 3 . 1 1 54 54 THR H H 54 7.683 7.683 7.412 0.271 25943 1097 1 3 . 1 1 55 55 LEU N N 55 122.800 122.800 122.423 0.377 25943 1098 1 3 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.179 -0.005 25943 1099 1 3 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.509 -0.106 25943 1100 1 3 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.557 1.481 25943 1101 1 3 . 1 1 55 55 LEU H H 55 8.314 8.314 7.811 0.503 25943 1102 1 3 . 1 1 56 56 MET N N 56 115.790 115.790 119.049 -3.259 25943 1103 1 3 . 1 1 56 56 MET HA H 56 3.831 3.831 4.192 -0.361 25943 1104 1 3 . 1 1 56 56 MET CA C 56 60.849 60.849 59.684 1.165 25943 1105 1 3 . 1 1 56 56 MET CB C 56 34.668 34.668 33.051 1.617 25943 1106 1 3 . 1 1 56 56 MET H H 56 8.379 8.379 7.684 0.695 25943 1107 1 3 . 1 1 57 57 ILE N N 57 120.370 120.370 119.816 0.554 25943 1108 1 3 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.697 -0.260 25943 1109 1 3 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.703 0.147 25943 1110 1 3 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.932 0.420 25943 1111 1 3 . 1 1 57 57 ILE H H 57 8.007 8.007 7.948 0.059 25943 1112 1 3 . 1 1 58 58 ASP N N 58 122.569 122.569 119.749 2.820 25943 1113 1 3 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.376 -0.029 25943 1114 1 3 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.059 -0.397 25943 1115 1 3 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.213 -3.303 25943 1116 1 3 . 1 1 58 58 ASP H H 58 9.271 9.271 8.309 0.962 25943 1117 1 3 . 1 1 59 59 PHE N N 59 114.340 114.340 117.912 -3.572 25943 1118 1 3 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.427 -0.203 25943 1119 1 3 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.581 0.794 25943 1120 1 3 . 1 1 59 59 PHE CB C 59 40.530 40.530 40.024 0.506 25943 1121 1 3 . 1 1 59 59 PHE H H 59 8.025 8.025 8.000 0.025 25943 1122 1 3 . 1 1 60 60 ASN N N 60 112.830 112.830 115.342 -2.512 25943 1123 1 3 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.807 -0.675 25943 1124 1 3 . 1 1 60 60 ASN CA C 60 54.614 54.614 54.308 0.306 25943 1125 1 3 . 1 1 60 60 ASN CB C 60 42.960 42.960 41.192 1.768 25943 1126 1 3 . 1 1 60 60 ASN H H 60 7.601 7.601 7.827 -0.226 25943 1127 1 3 . 1 1 61 61 GLY N N 61 110.840 110.840 106.477 4.363 25943 1128 1 3 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.622 0.120 25943 1129 1 3 . 1 1 61 61 GLY H H 61 8.626 8.626 7.336 1.290 25943 1130 1 3 . 1 1 62 62 GLU N N 62 117.990 117.990 121.690 -3.700 25943 1131 1 3 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.561 0.371 25943 1132 1 3 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.064 2.675 25943 1133 1 3 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.106 1.142 25943 1134 1 3 . 1 1 62 62 GLU H H 62 8.841 8.841 8.846 -0.005 25943 1135 1 3 . 1 1 63 63 GLU N N 63 118.090 118.090 118.921 -0.831 25943 1136 1 3 . 1 1 63 63 GLU HA H 63 4.028 4.028 3.906 0.122 25943 1137 1 3 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.497 1.255 25943 1138 1 3 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.769 -0.445 25943 1139 1 3 . 1 1 63 63 GLU H H 63 8.535 8.535 8.520 0.015 25943 1140 1 3 . 1 1 64 64 LYS N N 64 119.720 119.720 120.115 -0.395 25943 1141 1 3 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.139 -0.057 25943 1142 1 3 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.924 0.260 25943 1143 1 3 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.415 -0.657 25943 1144 1 3 . 1 1 64 64 LYS H H 64 9.107 9.107 7.883 1.224 25943 1145 1 3 . 1 1 65 65 ALA N N 65 120.030 120.030 122.586 -2.556 25943 1146 1 3 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.094 -0.176 25943 1147 1 3 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.330 0.604 25943 1148 1 3 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.281 1.308 25943 1149 1 3 . 1 1 65 65 ALA H H 65 8.179 8.179 8.063 0.116 25943 1150 1 3 . 1 1 66 66 TRP N N 66 116.210 116.210 119.396 -3.186 25943 1151 1 3 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.337 -0.363 25943 1152 1 3 . 1 1 66 66 TRP CA C 66 61.302 61.302 58.972 2.330 25943 1153 1 3 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.355 0.601 25943 1154 1 3 . 1 1 66 66 TRP H H 66 7.900 7.900 7.681 0.219 25943 1155 1 3 . 1 1 67 67 ALA N N 67 119.640 119.640 121.824 -2.184 25943 1156 1 3 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.002 0.029 25943 1157 1 3 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.077 0.535 25943 1158 1 3 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.108 -0.001 25943 1159 1 3 . 1 1 67 67 ALA H H 67 7.754 7.754 7.674 0.080 25943 1160 1 3 . 1 1 68 68 MET N N 68 118.260 118.260 117.246 1.014 25943 1161 1 3 . 1 1 68 68 MET HA H 68 4.262 4.262 4.090 0.172 25943 1162 1 3 . 1 1 68 68 MET CA C 68 58.647 58.647 58.921 -0.274 25943 1163 1 3 . 1 1 68 68 MET CB C 68 34.369 34.369 32.677 1.692 25943 1164 1 3 . 1 1 68 68 MET H H 68 8.500 8.500 8.153 0.347 25943 1165 1 3 . 1 1 69 69 ALA N N 69 120.358 120.358 122.897 -2.539 25943 1166 1 3 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.928 -0.355 25943 1167 1 3 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.051 0.578 25943 1168 1 3 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.247 -0.534 25943 1169 1 3 . 1 1 69 69 ALA H H 69 7.922 7.922 8.423 -0.501 25943 1170 1 3 . 1 1 70 70 VAL N N 70 114.916 114.916 117.432 -2.516 25943 1171 1 3 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.496 -0.093 25943 1172 1 3 . 1 1 70 70 VAL CA C 70 67.934 67.934 66.185 1.749 25943 1173 1 3 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.224 1.063 25943 1174 1 3 . 1 1 70 70 VAL H H 70 8.202 8.202 7.720 0.482 25943 1175 1 3 . 1 1 71 71 TRP N N 71 118.400 118.400 121.761 -3.361 25943 1176 1 3 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.214 -0.077 25943 1177 1 3 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.443 0.819 25943 1178 1 3 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.535 -0.293 25943 1179 1 3 . 1 1 71 71 TRP H H 71 7.806 7.806 7.515 0.291 25943 1180 1 3 . 1 1 72 72 ILE N N 72 119.430 119.430 118.828 0.602 25943 1181 1 3 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.623 -0.501 25943 1182 1 3 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.915 0.948 25943 1183 1 3 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.844 -1.174 25943 1184 1 3 . 1 1 72 72 ILE H H 72 8.654 8.654 7.680 0.974 25943 1185 1 3 . 1 1 73 73 PHE N N 73 118.760 118.760 119.345 -0.585 25943 1186 1 3 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.186 0.328 25943 1187 1 3 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.412 -0.258 25943 1188 1 3 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.149 0.172 25943 1189 1 3 . 1 1 73 73 PHE H H 73 9.015 9.015 6.987 2.028 25943 1190 1 3 . 1 1 74 74 ALA N N 74 118.190 118.190 120.128 -1.938 25943 1191 1 3 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.927 -0.266 25943 1192 1 3 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.525 0.637 25943 1193 1 3 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.740 -0.589 25943 1194 1 3 . 1 1 74 74 ALA H H 74 7.363 7.363 7.702 -0.339 25943 1195 1 3 . 1 1 75 75 ALA N N 75 122.920 122.920 122.924 -0.004 25943 1196 1 3 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.889 -0.154 25943 1197 1 3 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.361 0.265 25943 1198 1 3 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.383 -0.806 25943 1199 1 3 . 1 1 75 75 ALA H H 75 7.640 7.640 7.163 0.477 25943 1200 1 3 . 1 1 76 76 ILE N N 76 108.850 108.850 112.973 -4.123 25943 1201 1 3 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.172 0.324 25943 1202 1 3 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.515 0.163 25943 1203 1 3 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.503 0.889 25943 1204 1 3 . 1 1 76 76 ILE H H 76 7.901 7.901 7.524 0.377 25943 1205 1 3 . 1 1 77 77 ASN N N 77 116.232 116.232 119.086 -2.854 25943 1206 1 3 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.299 -0.041 25943 1207 1 3 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.227 0.843 25943 1208 1 3 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.339 -0.421 25943 1209 1 3 . 1 1 77 77 ASN H H 77 7.865 7.865 7.672 0.193 25943 1210 1 3 . 1 1 78 78 ARG N N 78 118.810 118.810 119.155 -0.345 25943 1211 1 3 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.528 0.440 25943 1212 1 3 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.181 -4.258 25943 1213 1 3 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.913 -4.296 25943 1214 1 3 . 1 1 78 78 ARG H H 78 8.325 8.325 7.639 0.685 25943 1215 1 3 . 1 1 79 79 ARG N N 79 122.270 122.270 120.841 1.429 25943 1216 1 3 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.045 -0.134 25943 1217 1 3 . 1 1 79 79 ARG CA C 79 59.194 59.194 60.460 -1.266 25943 1218 1 3 . 1 1 79 79 ARG CB C 79 29.558 29.558 30.134 -0.576 25943 1219 1 3 . 1 1 79 79 ARG H H 79 8.171 8.171 8.510 -0.339 25943 1220 1 3 . 1 1 80 80 ASP N N 80 117.180 117.180 119.954 -2.774 25943 1221 1 3 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.358 -0.499 25943 1222 1 3 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.764 -1.599 25943 1223 1 3 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.270 -1.898 25943 1224 1 3 . 1 1 80 80 ASP H H 80 9.124 9.124 8.273 0.851 25943 1225 1 3 . 1 1 81 81 LEU N N 81 120.540 120.540 120.030 0.510 25943 1226 1 3 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.017 -0.178 25943 1227 1 3 . 1 1 81 81 LEU CA C 81 56.763 56.763 56.896 -0.133 25943 1228 1 3 . 1 1 81 81 LEU CB C 81 40.289 40.289 42.049 -1.760 25943 1229 1 3 . 1 1 81 81 LEU H H 81 7.267 7.267 8.490 -1.223 25943 1230 1 3 . 1 1 82 82 TYR N N 82 119.140 119.140 120.448 -1.308 25943 1231 1 3 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.261 -0.102 25943 1232 1 3 . 1 1 82 82 TYR CA C 82 62.239 62.239 60.507 1.732 25943 1233 1 3 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.225 0.466 25943 1234 1 3 . 1 1 82 82 TYR H H 82 8.041 8.041 8.541 -0.500 25943 1235 1 3 . 1 1 83 83 GLU N N 83 115.620 115.620 119.022 -3.402 25943 1236 1 3 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.559 0.137 25943 1237 1 3 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.188 -0.108 25943 1238 1 3 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.288 -0.151 25943 1239 1 3 . 1 1 83 83 GLU H H 83 8.194 8.194 7.759 0.435 25943 1240 1 3 . 1 1 84 84 LYS N N 84 118.080 118.080 119.492 -1.412 25943 1241 1 3 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.092 -0.175 25943 1242 1 3 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.759 1.005 25943 1243 1 3 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.609 0.765 25943 1244 1 3 . 1 1 84 84 LYS H H 84 7.446 7.446 7.436 0.010 25943 1245 1 3 . 1 1 85 85 ALA N N 85 120.470 120.470 121.635 -1.165 25943 1246 1 3 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.089 0.034 25943 1247 1 3 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.174 -0.064 25943 1248 1 3 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.403 -0.021 25943 1249 1 3 . 1 1 85 85 ALA H H 85 8.651 8.651 8.293 0.358 25943 1250 1 3 . 1 1 86 86 LYS N N 86 117.610 117.610 117.696 -0.086 25943 1251 1 3 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.075 -0.065 25943 1252 1 3 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.389 0.780 25943 1253 1 3 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.480 -0.689 25943 1254 1 3 . 1 1 86 86 LYS H H 86 8.059 8.059 7.596 0.463 25943 1255 1 3 . 1 1 87 87 ARG N N 87 116.900 116.900 117.695 -0.795 25943 1256 1 3 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.176 -0.011 25943 1257 1 3 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.484 -0.784 25943 1258 1 3 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.719 -0.403 25943 1259 1 3 . 1 1 87 87 ARG H H 87 7.196 7.196 7.872 -0.676 25943 1260 1 3 . 1 1 88 88 ASP N N 88 119.290 119.290 117.277 2.013 25943 1261 1 3 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.688 0.006 25943 1262 1 3 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.394 -0.725 25943 1263 1 3 . 1 1 88 88 ASP CB C 88 42.419 42.419 42.122 0.297 25943 1264 1 3 . 1 1 88 88 ASP H H 88 7.507 7.507 7.697 -0.190 25943 1265 1 3 . 1 1 89 89 GLU N N 89 119.970 119.970 121.347 -1.377 25943 1266 1 3 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.036 -0.632 25943 1267 1 3 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.469 -0.034 25943 1268 1 3 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.959 -1.738 25943 1269 1 3 . 1 1 89 89 GLU H H 89 7.337 7.337 7.471 -0.134 25943 1270 1 3 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.364 -0.158 25943 1271 1 3 . 1 1 90 90 PRO CA C 90 63.256 63.256 63.016 0.240 25943 1272 1 3 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.210 -0.417 25943 1273 1 4 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.625 -0.469 25943 1274 1 4 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.461 -0.758 25943 1275 1 4 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.843 -0.202 25943 1276 1 4 . 1 1 3 3 SER N N 3 115.850 115.850 118.828 -2.978 25943 1277 1 4 . 1 1 3 3 SER HA H 3 4.696 4.696 4.624 0.072 25943 1278 1 4 . 1 1 3 3 SER CA C 3 57.756 57.756 57.798 -0.042 25943 1279 1 4 . 1 1 3 3 SER CB C 3 64.325 64.325 64.259 0.066 25943 1280 1 4 . 1 1 3 3 SER H H 3 8.757 8.757 8.475 0.282 25943 1281 1 4 . 1 1 4 4 THR N N 4 118.590 118.590 121.065 -2.475 25943 1282 1 4 . 1 1 4 4 THR HA H 4 4.213 4.213 4.000 0.213 25943 1283 1 4 . 1 1 4 4 THR CA C 4 64.714 64.714 65.805 -1.091 25943 1284 1 4 . 1 1 4 4 THR CB C 4 68.864 68.864 69.085 -0.221 25943 1285 1 4 . 1 1 4 4 THR H H 4 8.854 8.854 8.818 0.036 25943 1286 1 4 . 1 1 5 5 ARG N N 5 122.240 122.240 122.020 0.220 25943 1287 1 4 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.075 -0.106 25943 1288 1 4 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.388 -0.129 25943 1289 1 4 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.039 0.232 25943 1290 1 4 . 1 1 5 5 ARG H H 5 8.535 8.535 8.542 -0.007 25943 1291 1 4 . 1 1 6 6 CYS N N 6 118.400 118.400 117.145 1.255 25943 1292 1 4 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.225 0.022 25943 1293 1 4 . 1 1 6 6 CYS CA C 6 61.224 61.224 63.163 -1.939 25943 1294 1 4 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.595 -0.392 25943 1295 1 4 . 1 1 6 6 CYS H H 6 8.174 8.174 7.781 0.393 25943 1296 1 4 . 1 1 7 7 LYS N N 7 123.084 123.084 120.868 2.216 25943 1297 1 4 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.073 -0.005 25943 1298 1 4 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.668 0.016 25943 1299 1 4 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.454 0.383 25943 1300 1 4 . 1 1 7 7 LYS H H 7 8.395 8.395 7.331 1.064 25943 1301 1 4 . 1 1 8 8 LEU N N 8 120.110 120.110 119.676 0.434 25943 1302 1 4 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.143 -0.169 25943 1303 1 4 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.990 0.248 25943 1304 1 4 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.972 -0.519 25943 1305 1 4 . 1 1 8 8 LEU H H 8 8.546 8.546 8.353 0.193 25943 1306 1 4 . 1 1 9 9 ALA N N 9 118.910 118.910 120.095 -1.185 25943 1307 1 4 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.037 -0.161 25943 1308 1 4 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.897 0.739 25943 1309 1 4 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.372 0.203 25943 1310 1 4 . 1 1 9 9 ALA H H 9 8.076 8.076 7.686 0.390 25943 1311 1 4 . 1 1 10 10 ARG N N 10 116.760 116.760 118.816 -2.056 25943 1312 1 4 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.021 -0.069 25943 1313 1 4 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.004 -0.294 25943 1314 1 4 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.136 -0.412 25943 1315 1 4 . 1 1 10 10 ARG H H 10 7.556 7.556 7.815 -0.259 25943 1316 1 4 . 1 1 11 11 TYR N N 11 117.102 117.102 119.608 -2.506 25943 1317 1 4 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.223 0.124 25943 1318 1 4 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.898 -0.200 25943 1319 1 4 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.450 -0.142 25943 1320 1 4 . 1 1 11 11 TYR H H 11 7.510 7.510 7.549 -0.039 25943 1321 1 4 . 1 1 12 12 LEU N N 12 116.791 116.791 117.662 -0.871 25943 1322 1 4 . 1 1 12 12 LEU HA H 12 3.897 3.897 4.058 -0.161 25943 1323 1 4 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.637 -0.061 25943 1324 1 4 . 1 1 12 12 LEU CB C 12 40.946 40.946 42.064 -1.118 25943 1325 1 4 . 1 1 12 12 LEU H H 12 7.893 7.893 7.714 0.179 25943 1326 1 4 . 1 1 13 13 GLU N N 13 117.866 117.866 117.446 0.420 25943 1327 1 4 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.129 -0.881 25943 1328 1 4 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.247 -0.581 25943 1329 1 4 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.701 -1.448 25943 1330 1 4 . 1 1 13 13 GLU H H 13 7.975 7.975 7.592 0.383 25943 1331 1 4 . 1 1 14 14 ASP N N 14 116.190 116.190 117.297 -1.107 25943 1332 1 4 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.415 0.222 25943 1333 1 4 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.989 -0.854 25943 1334 1 4 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.842 -2.188 25943 1335 1 4 . 1 1 14 14 ASP H H 14 7.293 7.293 7.775 -0.482 25943 1336 1 4 . 1 1 15 15 LEU N N 15 119.530 119.530 118.706 0.824 25943 1337 1 4 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.332 -0.023 25943 1338 1 4 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.924 0.765 25943 1339 1 4 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.687 -0.757 25943 1340 1 4 . 1 1 15 15 LEU H H 15 7.301 7.301 7.134 0.167 25943 1341 1 4 . 1 1 16 16 GLU N N 16 121.840 121.840 120.304 1.536 25943 1342 1 4 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.140 0.376 25943 1343 1 4 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.472 -0.666 25943 1344 1 4 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.153 -1.921 25943 1345 1 4 . 1 1 16 16 GLU H H 16 8.837 8.837 8.403 0.434 25943 1346 1 4 . 1 1 17 17 ASP N N 17 122.070 122.070 123.979 -1.909 25943 1347 1 4 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.293 0.056 25943 1348 1 4 . 1 1 17 17 ASP CA C 17 58.768 58.768 58.016 0.752 25943 1349 1 4 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.826 -0.468 25943 1350 1 4 . 1 1 17 17 ASP H H 17 8.951 8.951 8.705 0.246 25943 1351 1 4 . 1 1 18 18 VAL N N 18 118.150 118.150 118.849 -0.699 25943 1352 1 4 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.805 0.054 25943 1353 1 4 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.152 0.834 25943 1354 1 4 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.501 0.042 25943 1355 1 4 . 1 1 18 18 VAL H H 18 8.613 8.613 7.787 0.826 25943 1356 1 4 . 1 1 19 19 ASP N N 19 120.600 120.600 119.783 0.817 25943 1357 1 4 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.396 0.310 25943 1358 1 4 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.827 -0.007 25943 1359 1 4 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.415 1.443 25943 1360 1 4 . 1 1 19 19 ASP H H 19 7.358 7.358 8.248 -0.890 25943 1361 1 4 . 1 1 20 20 LEU N N 20 123.020 123.020 120.752 2.268 25943 1362 1 4 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.074 0.073 25943 1363 1 4 . 1 1 20 20 LEU CA C 20 58.115 58.115 58.167 -0.052 25943 1364 1 4 . 1 1 20 20 LEU CB C 20 40.919 40.919 42.061 -1.142 25943 1365 1 4 . 1 1 20 20 LEU H H 20 8.635 8.635 8.118 0.517 25943 1366 1 4 . 1 1 21 21 LYS N N 21 119.120 119.120 118.705 0.415 25943 1367 1 4 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.922 0.110 25943 1368 1 4 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.569 0.771 25943 1369 1 4 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.006 0.285 25943 1370 1 4 . 1 1 21 21 LYS H H 21 7.914 7.914 7.376 0.538 25943 1371 1 4 . 1 1 22 22 LYS N N 22 118.660 118.660 119.073 -0.413 25943 1372 1 4 . 1 1 22 22 LYS HA H 22 4.180 4.180 3.951 0.229 25943 1373 1 4 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.489 0.690 25943 1374 1 4 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.091 1.524 25943 1375 1 4 . 1 1 22 22 LYS H H 22 7.715 7.715 7.461 0.254 25943 1376 1 4 . 1 1 23 23 PHE N N 23 123.360 123.360 118.513 4.847 25943 1377 1 4 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.098 -0.127 25943 1378 1 4 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.734 -0.344 25943 1379 1 4 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.114 1.339 25943 1380 1 4 . 1 1 23 23 PHE H H 23 9.148 9.148 7.805 1.343 25943 1381 1 4 . 1 1 24 24 LYS N N 24 117.660 117.660 119.791 -2.131 25943 1382 1 4 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.140 -0.365 25943 1383 1 4 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.517 1.698 25943 1384 1 4 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.236 1.071 25943 1385 1 4 . 1 1 24 24 LYS H H 24 8.750 8.750 7.555 1.195 25943 1386 1 4 . 1 1 25 25 MET N N 25 118.140 118.140 118.322 -0.182 25943 1387 1 4 . 1 1 25 25 MET HA H 25 3.955 3.955 4.207 -0.252 25943 1388 1 4 . 1 1 25 25 MET CA C 25 59.261 59.261 59.205 0.056 25943 1389 1 4 . 1 1 25 25 MET CB C 25 32.276 32.276 32.949 -0.673 25943 1390 1 4 . 1 1 25 25 MET H H 25 8.005 8.005 7.701 0.304 25943 1391 1 4 . 1 1 26 26 HIS N N 26 114.610 114.610 117.226 -2.616 25943 1392 1 4 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.360 -0.039 25943 1393 1 4 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.855 0.353 25943 1394 1 4 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.489 0.083 25943 1395 1 4 . 1 1 26 26 HIS H H 26 7.779 7.779 8.393 -0.614 25943 1396 1 4 . 1 1 27 27 LEU N N 27 119.460 119.460 119.237 0.223 25943 1397 1 4 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.049 -0.048 25943 1398 1 4 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.793 -0.047 25943 1399 1 4 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.220 0.686 25943 1400 1 4 . 1 1 27 27 LEU H H 27 7.954 7.954 7.849 0.105 25943 1401 1 4 . 1 1 28 28 GLU N N 28 116.810 116.810 117.727 -0.917 25943 1402 1 4 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.167 0.136 25943 1403 1 4 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.525 -1.285 25943 1404 1 4 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.767 -1.266 25943 1405 1 4 . 1 1 28 28 GLU H H 28 7.870 7.870 7.739 0.131 25943 1406 1 4 . 1 1 29 29 ASP N N 29 116.732 116.732 119.926 -3.194 25943 1407 1 4 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.585 0.283 25943 1408 1 4 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.780 -1.653 25943 1409 1 4 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.440 -1.510 25943 1410 1 4 . 1 1 29 29 ASP H H 29 7.548 7.548 7.905 -0.357 25943 1411 1 4 . 1 1 30 30 TYR N N 30 125.460 125.460 121.471 3.989 25943 1412 1 4 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.459 -0.125 25943 1413 1 4 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.193 2.558 25943 1414 1 4 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.883 0.166 25943 1415 1 4 . 1 1 30 30 TYR H H 30 6.837 6.837 7.470 -0.633 25943 1416 1 4 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.486 0.047 25943 1417 1 4 . 1 1 32 32 PRO CA C 32 63.322 63.322 63.212 0.110 25943 1418 1 4 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.041 -0.712 25943 1419 1 4 . 1 1 33 33 GLN N N 33 120.060 120.060 124.431 -4.371 25943 1420 1 4 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.252 0.035 25943 1421 1 4 . 1 1 33 33 GLN CA C 33 56.012 56.012 55.758 0.254 25943 1422 1 4 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.326 0.404 25943 1423 1 4 . 1 1 33 33 GLN H H 33 8.453 8.453 8.586 -0.133 25943 1424 1 4 . 1 1 34 34 LYS N N 34 121.020 121.020 117.591 3.429 25943 1425 1 4 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.125 0.002 25943 1426 1 4 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.735 0.513 25943 1427 1 4 . 1 1 34 34 LYS CB C 34 31.837 31.837 31.208 0.629 25943 1428 1 4 . 1 1 34 34 LYS H H 34 8.376 8.376 8.374 0.002 25943 1429 1 4 . 1 1 35 35 GLY N N 35 110.370 110.370 107.259 3.111 25943 1430 1 4 . 1 1 35 35 GLY CA C 35 45.999 45.999 44.876 1.123 25943 1431 1 4 . 1 1 35 35 GLY H H 35 8.630 8.630 8.150 0.480 25943 1432 1 4 . 1 1 36 36 CYS N N 36 117.850 117.850 120.044 -2.194 25943 1433 1 4 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.785 -0.101 25943 1434 1 4 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.393 0.099 25943 1435 1 4 . 1 1 36 36 CYS CB C 36 29.919 29.919 29.428 0.491 25943 1436 1 4 . 1 1 36 36 CYS H H 36 7.855 7.855 7.814 0.041 25943 1437 1 4 . 1 1 37 37 ILE N N 37 125.540 125.540 126.965 -1.425 25943 1438 1 4 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.391 0.213 25943 1439 1 4 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.598 -1.355 25943 1440 1 4 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.956 0.372 25943 1441 1 4 . 1 1 37 37 ILE H H 37 9.362 9.362 8.483 0.879 25943 1442 1 4 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.450 -0.100 25943 1443 1 4 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.243 0.002 25943 1444 1 4 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.170 0.290 25943 1445 1 4 . 1 1 39 39 LEU N N 39 120.950 120.950 124.221 -3.271 25943 1446 1 4 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.402 -0.512 25943 1447 1 4 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.661 -0.308 25943 1448 1 4 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.470 0.908 25943 1449 1 4 . 1 1 39 39 LEU H H 39 7.503 7.503 8.227 -0.724 25943 1450 1 4 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.439 -0.089 25943 1451 1 4 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.819 -0.518 25943 1452 1 4 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.300 -0.051 25943 1453 1 4 . 1 1 41 41 ARG N N 41 127.030 127.030 125.123 1.907 25943 1454 1 4 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.994 -0.166 25943 1455 1 4 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.386 1.319 25943 1456 1 4 . 1 1 41 41 ARG CB C 41 30.281 30.281 29.370 0.911 25943 1457 1 4 . 1 1 41 41 ARG H H 41 8.997 8.997 8.694 0.303 25943 1458 1 4 . 1 1 42 42 GLY N N 42 106.770 106.770 107.537 -0.767 25943 1459 1 4 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.817 0.688 25943 1460 1 4 . 1 1 42 42 GLY H H 42 8.820 8.820 8.571 0.249 25943 1461 1 4 . 1 1 43 43 GLN N N 43 118.070 118.070 119.883 -1.813 25943 1462 1 4 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.145 -0.131 25943 1463 1 4 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.665 0.032 25943 1464 1 4 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.091 1.729 25943 1465 1 4 . 1 1 43 43 GLN H H 43 7.724 7.724 7.900 -0.176 25943 1466 1 4 . 1 1 44 44 THR N N 44 115.670 115.670 115.877 -0.207 25943 1467 1 4 . 1 1 44 44 THR HA H 44 4.220 4.220 4.162 0.058 25943 1468 1 4 . 1 1 44 44 THR CA C 44 67.781 67.781 65.944 1.837 25943 1469 1 4 . 1 1 44 44 THR CB C 44 67.781 67.781 68.934 -1.153 25943 1470 1 4 . 1 1 44 44 THR H H 44 7.641 7.641 7.915 -0.274 25943 1471 1 4 . 1 1 45 45 GLU N N 45 119.340 119.340 122.236 -2.896 25943 1472 1 4 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.199 -0.449 25943 1473 1 4 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.721 1.107 25943 1474 1 4 . 1 1 45 45 GLU CB C 45 29.325 29.325 28.852 0.473 25943 1475 1 4 . 1 1 45 45 GLU H H 45 8.412 8.412 8.321 0.091 25943 1476 1 4 . 1 1 46 46 LYS N N 46 115.700 115.700 118.908 -3.208 25943 1477 1 4 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.146 0.026 25943 1478 1 4 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.703 0.134 25943 1479 1 4 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.684 0.597 25943 1480 1 4 . 1 1 46 46 LYS H H 46 7.289 7.289 7.691 -0.402 25943 1481 1 4 . 1 1 47 47 ALA N N 47 121.880 121.880 121.842 0.038 25943 1482 1 4 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.208 0.079 25943 1483 1 4 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.327 0.774 25943 1484 1 4 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.547 0.129 25943 1485 1 4 . 1 1 47 47 ALA H H 47 7.072 7.072 7.312 -0.240 25943 1486 1 4 . 1 1 48 48 ASP N N 48 121.440 121.440 124.529 -3.089 25943 1487 1 4 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.725 -0.062 25943 1488 1 4 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.916 -1.870 25943 1489 1 4 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.162 -2.459 25943 1490 1 4 . 1 1 48 48 ASP H H 48 8.654 8.654 8.325 0.329 25943 1491 1 4 . 1 1 49 49 HIS N N 49 112.540 112.540 120.170 -7.630 25943 1492 1 4 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.187 -0.215 25943 1493 1 4 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.610 0.666 25943 1494 1 4 . 1 1 49 49 HIS CB C 49 28.741 28.741 28.848 -0.107 25943 1495 1 4 . 1 1 49 49 HIS H H 49 8.316 8.316 9.144 -0.828 25943 1496 1 4 . 1 1 50 50 VAL N N 50 117.460 117.460 119.395 -1.935 25943 1497 1 4 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.503 0.174 25943 1498 1 4 . 1 1 50 50 VAL CA C 50 65.823 65.823 65.899 -0.076 25943 1499 1 4 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.376 0.427 25943 1500 1 4 . 1 1 50 50 VAL H H 50 7.610 7.610 7.093 0.517 25943 1501 1 4 . 1 1 51 51 ASP N N 51 121.430 121.430 119.220 2.210 25943 1502 1 4 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.321 0.114 25943 1503 1 4 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.085 -0.493 25943 1504 1 4 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.268 -0.853 25943 1505 1 4 . 1 1 51 51 ASP H H 51 8.490 8.490 7.933 0.557 25943 1506 1 4 . 1 1 52 52 LEU N N 52 121.030 121.030 121.530 -0.500 25943 1507 1 4 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.947 0.020 25943 1508 1 4 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.089 -0.412 25943 1509 1 4 . 1 1 52 52 LEU CB C 52 41.708 41.708 40.980 0.728 25943 1510 1 4 . 1 1 52 52 LEU H H 52 8.649 8.649 8.671 -0.022 25943 1511 1 4 . 1 1 53 53 ALA N N 53 120.440 120.440 119.183 1.257 25943 1512 1 4 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.054 -0.119 25943 1513 1 4 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.870 0.728 25943 1514 1 4 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.442 -0.348 25943 1515 1 4 . 1 1 53 53 ALA H H 53 7.423 7.423 7.660 -0.237 25943 1516 1 4 . 1 1 54 54 THR N N 54 113.210 113.210 116.769 -3.559 25943 1517 1 4 . 1 1 54 54 THR HA H 54 3.712 3.712 4.058 -0.346 25943 1518 1 4 . 1 1 54 54 THR CA C 54 66.864 66.864 66.545 0.319 25943 1519 1 4 . 1 1 54 54 THR CB C 54 68.868 68.868 68.869 -0.001 25943 1520 1 4 . 1 1 54 54 THR H H 54 7.683 7.683 7.529 0.154 25943 1521 1 4 . 1 1 55 55 LEU N N 55 122.800 122.800 123.281 -0.481 25943 1522 1 4 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.229 -0.055 25943 1523 1 4 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.053 0.350 25943 1524 1 4 . 1 1 55 55 LEU CB C 55 43.038 43.038 42.032 1.006 25943 1525 1 4 . 1 1 55 55 LEU H H 55 8.314 8.314 8.513 -0.199 25943 1526 1 4 . 1 1 56 56 MET N N 56 115.790 115.790 119.748 -3.958 25943 1527 1 4 . 1 1 56 56 MET HA H 56 3.831 3.831 4.218 -0.387 25943 1528 1 4 . 1 1 56 56 MET CA C 56 60.849 60.849 59.676 1.173 25943 1529 1 4 . 1 1 56 56 MET CB C 56 34.668 34.668 32.844 1.824 25943 1530 1 4 . 1 1 56 56 MET H H 56 8.379 8.379 7.877 0.502 25943 1531 1 4 . 1 1 57 57 ILE N N 57 120.370 120.370 119.314 1.056 25943 1532 1 4 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.803 -0.366 25943 1533 1 4 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.675 0.175 25943 1534 1 4 . 1 1 57 57 ILE CB C 57 38.352 38.352 38.031 0.321 25943 1535 1 4 . 1 1 57 57 ILE H H 57 8.007 8.007 8.001 0.006 25943 1536 1 4 . 1 1 58 58 ASP N N 58 122.569 122.569 119.633 2.936 25943 1537 1 4 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.401 -0.054 25943 1538 1 4 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.225 -0.563 25943 1539 1 4 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.194 -3.284 25943 1540 1 4 . 1 1 58 58 ASP H H 58 9.271 9.271 8.139 1.132 25943 1541 1 4 . 1 1 59 59 PHE N N 59 114.340 114.340 118.329 -3.989 25943 1542 1 4 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.481 -0.257 25943 1543 1 4 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.582 0.794 25943 1544 1 4 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.891 0.639 25943 1545 1 4 . 1 1 59 59 PHE H H 59 8.025 8.025 7.964 0.061 25943 1546 1 4 . 1 1 60 60 ASN N N 60 112.830 112.830 115.841 -3.011 25943 1547 1 4 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.840 -0.708 25943 1548 1 4 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.761 0.853 25943 1549 1 4 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.589 2.371 25943 1550 1 4 . 1 1 60 60 ASN H H 60 7.601 7.601 7.933 -0.332 25943 1551 1 4 . 1 1 61 61 GLY N N 61 110.840 110.840 107.385 3.455 25943 1552 1 4 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.662 0.080 25943 1553 1 4 . 1 1 61 61 GLY H H 61 8.626 8.626 7.223 1.403 25943 1554 1 4 . 1 1 62 62 GLU N N 62 117.990 117.990 121.295 -3.305 25943 1555 1 4 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.984 -0.052 25943 1556 1 4 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.250 2.489 25943 1557 1 4 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.332 0.916 25943 1558 1 4 . 1 1 62 62 GLU H H 62 8.841 8.841 8.712 0.129 25943 1559 1 4 . 1 1 63 63 GLU N N 63 118.090 118.090 119.722 -1.632 25943 1560 1 4 . 1 1 63 63 GLU HA H 63 4.028 4.028 3.910 0.118 25943 1561 1 4 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.015 1.737 25943 1562 1 4 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.983 -0.659 25943 1563 1 4 . 1 1 63 63 GLU H H 63 8.535 8.535 8.434 0.101 25943 1564 1 4 . 1 1 64 64 LYS N N 64 119.720 119.720 119.798 -0.078 25943 1565 1 4 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.193 -0.111 25943 1566 1 4 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.941 0.243 25943 1567 1 4 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.428 -0.670 25943 1568 1 4 . 1 1 64 64 LYS H H 64 9.107 9.107 7.942 1.165 25943 1569 1 4 . 1 1 65 65 ALA N N 65 120.030 120.030 121.907 -1.877 25943 1570 1 4 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.196 -0.278 25943 1571 1 4 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.276 0.658 25943 1572 1 4 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.084 1.505 25943 1573 1 4 . 1 1 65 65 ALA H H 65 8.179 8.179 8.148 0.031 25943 1574 1 4 . 1 1 66 66 TRP N N 66 116.210 116.210 119.680 -3.470 25943 1575 1 4 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.266 -0.292 25943 1576 1 4 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.436 0.866 25943 1577 1 4 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.586 0.369 25943 1578 1 4 . 1 1 66 66 TRP H H 66 7.900 7.900 7.786 0.114 25943 1579 1 4 . 1 1 67 67 ALA N N 67 119.640 119.640 122.095 -2.455 25943 1580 1 4 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.016 0.015 25943 1581 1 4 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.235 0.377 25943 1582 1 4 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.249 -0.143 25943 1583 1 4 . 1 1 67 67 ALA H H 67 7.754 7.754 7.810 -0.056 25943 1584 1 4 . 1 1 68 68 MET N N 68 118.260 118.260 116.605 1.655 25943 1585 1 4 . 1 1 68 68 MET HA H 68 4.262 4.262 4.424 -0.162 25943 1586 1 4 . 1 1 68 68 MET CA C 68 58.647 58.647 57.104 1.543 25943 1587 1 4 . 1 1 68 68 MET CB C 68 34.369 34.369 31.997 2.373 25943 1588 1 4 . 1 1 68 68 MET H H 68 8.500 8.500 8.329 0.171 25943 1589 1 4 . 1 1 69 69 ALA N N 69 120.358 120.358 123.499 -3.141 25943 1590 1 4 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.299 -0.726 25943 1591 1 4 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.150 0.479 25943 1592 1 4 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.353 -0.640 25943 1593 1 4 . 1 1 69 69 ALA H H 69 7.922 7.922 8.301 -0.379 25943 1594 1 4 . 1 1 70 70 VAL N N 70 114.916 114.916 117.777 -2.861 25943 1595 1 4 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.441 -0.038 25943 1596 1 4 . 1 1 70 70 VAL CA C 70 67.934 67.934 66.442 1.492 25943 1597 1 4 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.177 1.111 25943 1598 1 4 . 1 1 70 70 VAL H H 70 8.202 8.202 8.367 -0.165 25943 1599 1 4 . 1 1 71 71 TRP N N 71 118.400 118.400 121.660 -3.260 25943 1600 1 4 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.269 -0.132 25943 1601 1 4 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.571 0.691 25943 1602 1 4 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.643 -0.401 25943 1603 1 4 . 1 1 71 71 TRP H H 71 7.806 7.806 7.776 0.030 25943 1604 1 4 . 1 1 72 72 ILE N N 72 119.430 119.430 119.028 0.402 25943 1605 1 4 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.726 -0.604 25943 1606 1 4 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.779 1.084 25943 1607 1 4 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.994 -1.324 25943 1608 1 4 . 1 1 72 72 ILE H H 72 8.654 8.654 7.776 0.878 25943 1609 1 4 . 1 1 73 73 PHE N N 73 118.760 118.760 119.773 -1.013 25943 1610 1 4 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.107 0.407 25943 1611 1 4 . 1 1 73 73 PHE CA C 73 59.154 59.154 60.511 -1.357 25943 1612 1 4 . 1 1 73 73 PHE CB C 73 37.321 37.321 38.027 -0.706 25943 1613 1 4 . 1 1 73 73 PHE H H 73 9.015 9.015 7.614 1.401 25943 1614 1 4 . 1 1 74 74 ALA N N 74 118.190 118.190 119.873 -1.683 25943 1615 1 4 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.983 -0.322 25943 1616 1 4 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.660 0.502 25943 1617 1 4 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.801 -0.650 25943 1618 1 4 . 1 1 74 74 ALA H H 74 7.363 7.363 7.636 -0.273 25943 1619 1 4 . 1 1 75 75 ALA N N 75 122.920 122.920 122.080 0.840 25943 1620 1 4 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.987 -0.252 25943 1621 1 4 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.360 0.266 25943 1622 1 4 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.238 -0.661 25943 1623 1 4 . 1 1 75 75 ALA H H 75 7.640 7.640 7.040 0.600 25943 1624 1 4 . 1 1 76 76 ILE N N 76 108.850 108.850 111.395 -2.545 25943 1625 1 4 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.166 0.330 25943 1626 1 4 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.476 0.202 25943 1627 1 4 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.578 0.814 25943 1628 1 4 . 1 1 76 76 ILE H H 76 7.901 7.901 7.344 0.557 25943 1629 1 4 . 1 1 77 77 ASN N N 77 116.232 116.232 118.390 -2.158 25943 1630 1 4 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.341 -0.083 25943 1631 1 4 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.468 0.602 25943 1632 1 4 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.617 -0.699 25943 1633 1 4 . 1 1 77 77 ASN H H 77 7.865 7.865 7.641 0.224 25943 1634 1 4 . 1 1 78 78 ARG N N 78 118.810 118.810 122.355 -3.545 25943 1635 1 4 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.395 0.573 25943 1636 1 4 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.693 -4.769 25943 1637 1 4 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.868 -4.251 25943 1638 1 4 . 1 1 78 78 ARG H H 78 8.325 8.325 7.964 0.361 25943 1639 1 4 . 1 1 79 79 ARG N N 79 122.270 122.270 121.781 0.489 25943 1640 1 4 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.019 -0.108 25943 1641 1 4 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.849 -0.655 25943 1642 1 4 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.844 -0.286 25943 1643 1 4 . 1 1 79 79 ARG H H 79 8.171 8.171 8.652 -0.481 25943 1644 1 4 . 1 1 80 80 ASP N N 80 117.180 117.180 118.730 -1.550 25943 1645 1 4 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.452 -0.593 25943 1646 1 4 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.220 -1.055 25943 1647 1 4 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.540 -2.168 25943 1648 1 4 . 1 1 80 80 ASP H H 80 9.124 9.124 8.365 0.759 25943 1649 1 4 . 1 1 81 81 LEU N N 81 120.540 120.540 120.700 -0.160 25943 1650 1 4 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.105 -0.266 25943 1651 1 4 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.283 -0.520 25943 1652 1 4 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.852 -1.562 25943 1653 1 4 . 1 1 81 81 LEU H H 81 7.267 7.267 7.734 -0.467 25943 1654 1 4 . 1 1 82 82 TYR N N 82 119.140 119.140 119.724 -0.584 25943 1655 1 4 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.154 0.005 25943 1656 1 4 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.006 1.233 25943 1657 1 4 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.086 0.605 25943 1658 1 4 . 1 1 82 82 TYR H H 82 8.041 8.041 7.901 0.140 25943 1659 1 4 . 1 1 83 83 GLU N N 83 115.620 115.620 119.239 -3.619 25943 1660 1 4 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.512 0.184 25943 1661 1 4 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.337 -0.257 25943 1662 1 4 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.234 -0.097 25943 1663 1 4 . 1 1 83 83 GLU H H 83 8.194 8.194 7.820 0.374 25943 1664 1 4 . 1 1 84 84 LYS N N 84 118.080 118.080 117.886 0.194 25943 1665 1 4 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.113 -0.196 25943 1666 1 4 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.028 1.736 25943 1667 1 4 . 1 1 84 84 LYS CB C 84 33.374 33.374 31.957 1.417 25943 1668 1 4 . 1 1 84 84 LYS H H 84 7.446 7.446 7.411 0.035 25943 1669 1 4 . 1 1 85 85 ALA N N 85 120.470 120.470 122.395 -1.925 25943 1670 1 4 . 1 1 85 85 ALA HA H 85 4.123 4.123 3.826 0.297 25943 1671 1 4 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.903 0.207 25943 1672 1 4 . 1 1 85 85 ALA CB C 85 18.382 18.382 17.982 0.400 25943 1673 1 4 . 1 1 85 85 ALA H H 85 8.651 8.651 8.262 0.389 25943 1674 1 4 . 1 1 86 86 LYS N N 86 117.610 117.610 115.914 1.696 25943 1675 1 4 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.955 0.055 25943 1676 1 4 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.225 0.944 25943 1677 1 4 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.275 -0.484 25943 1678 1 4 . 1 1 86 86 LYS H H 86 8.059 8.059 7.832 0.227 25943 1679 1 4 . 1 1 87 87 ARG N N 87 116.900 116.900 116.461 0.439 25943 1680 1 4 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.202 -0.037 25943 1681 1 4 . 1 1 87 87 ARG CA C 87 57.700 57.700 57.939 -0.239 25943 1682 1 4 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.647 -0.331 25943 1683 1 4 . 1 1 87 87 ARG H H 87 7.196 7.196 7.458 -0.262 25943 1684 1 4 . 1 1 88 88 ASP N N 88 119.290 119.290 117.017 2.273 25943 1685 1 4 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.683 0.011 25943 1686 1 4 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.488 -0.819 25943 1687 1 4 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.962 0.457 25943 1688 1 4 . 1 1 88 88 ASP H H 88 7.507 7.507 7.564 -0.057 25943 1689 1 4 . 1 1 89 89 GLU N N 89 119.970 119.970 120.624 -0.654 25943 1690 1 4 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.207 -0.803 25943 1691 1 4 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.867 -0.432 25943 1692 1 4 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.357 -1.136 25943 1693 1 4 . 1 1 89 89 GLU H H 89 7.337 7.337 7.368 -0.031 25943 1694 1 4 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.492 -0.286 25943 1695 1 4 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.719 0.537 25943 1696 1 4 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.442 -0.649 25943 1697 1 5 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.576 -0.420 25943 1698 1 5 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.156 -0.453 25943 1699 1 5 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.809 -0.168 25943 1700 1 5 . 1 1 3 3 SER N N 3 115.850 115.850 117.367 -1.517 25943 1701 1 5 . 1 1 3 3 SER HA H 3 4.696 4.696 4.526 0.170 25943 1702 1 5 . 1 1 3 3 SER CA C 3 57.756 57.756 57.146 0.610 25943 1703 1 5 . 1 1 3 3 SER CB C 3 64.325 64.325 64.472 -0.147 25943 1704 1 5 . 1 1 3 3 SER H H 3 8.757 8.757 8.452 0.305 25943 1705 1 5 . 1 1 4 4 THR N N 4 118.590 118.590 121.520 -2.930 25943 1706 1 5 . 1 1 4 4 THR HA H 4 4.213 4.213 4.225 -0.012 25943 1707 1 5 . 1 1 4 4 THR CA C 4 64.714 64.714 65.116 -0.402 25943 1708 1 5 . 1 1 4 4 THR CB C 4 68.864 68.864 68.911 -0.047 25943 1709 1 5 . 1 1 4 4 THR H H 4 8.854 8.854 8.755 0.099 25943 1710 1 5 . 1 1 5 5 ARG N N 5 122.240 122.240 122.585 -0.345 25943 1711 1 5 . 1 1 5 5 ARG HA H 5 3.969 3.969 3.989 -0.020 25943 1712 1 5 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.112 -0.853 25943 1713 1 5 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.019 0.252 25943 1714 1 5 . 1 1 5 5 ARG H H 5 8.535 8.535 7.703 0.832 25943 1715 1 5 . 1 1 6 6 CYS N N 6 118.400 118.400 116.289 2.111 25943 1716 1 5 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.261 -0.014 25943 1717 1 5 . 1 1 6 6 CYS CA C 6 61.224 61.224 62.787 -1.563 25943 1718 1 5 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.101 0.102 25943 1719 1 5 . 1 1 6 6 CYS H H 6 8.174 8.174 7.803 0.371 25943 1720 1 5 . 1 1 7 7 LYS N N 7 123.084 123.084 121.164 1.920 25943 1721 1 5 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.057 0.011 25943 1722 1 5 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.584 0.100 25943 1723 1 5 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.392 0.445 25943 1724 1 5 . 1 1 7 7 LYS H H 7 8.395 8.395 7.191 1.204 25943 1725 1 5 . 1 1 8 8 LEU N N 8 120.110 120.110 119.933 0.177 25943 1726 1 5 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.119 -0.145 25943 1727 1 5 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.788 0.450 25943 1728 1 5 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.930 -0.476 25943 1729 1 5 . 1 1 8 8 LEU H H 8 8.546 8.546 8.451 0.095 25943 1730 1 5 . 1 1 9 9 ALA N N 9 118.910 118.910 120.715 -1.805 25943 1731 1 5 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.033 -0.157 25943 1732 1 5 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.026 0.610 25943 1733 1 5 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.327 0.248 25943 1734 1 5 . 1 1 9 9 ALA H H 9 8.076 8.076 7.729 0.347 25943 1735 1 5 . 1 1 10 10 ARG N N 10 116.760 116.760 118.762 -2.002 25943 1736 1 5 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.119 -0.167 25943 1737 1 5 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.002 -0.292 25943 1738 1 5 . 1 1 10 10 ARG CB C 10 29.724 29.724 29.960 -0.236 25943 1739 1 5 . 1 1 10 10 ARG H H 10 7.556 7.556 7.400 0.156 25943 1740 1 5 . 1 1 11 11 TYR N N 11 117.102 117.102 119.093 -1.991 25943 1741 1 5 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.215 0.132 25943 1742 1 5 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.808 -0.110 25943 1743 1 5 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.569 -0.261 25943 1744 1 5 . 1 1 11 11 TYR H H 11 7.510 7.510 7.444 0.066 25943 1745 1 5 . 1 1 12 12 LEU N N 12 116.791 116.791 117.391 -0.600 25943 1746 1 5 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.851 0.046 25943 1747 1 5 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.455 0.121 25943 1748 1 5 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.199 -0.253 25943 1749 1 5 . 1 1 12 12 LEU H H 12 7.893 7.893 7.554 0.339 25943 1750 1 5 . 1 1 13 13 GLU N N 13 117.866 117.866 117.579 0.287 25943 1751 1 5 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.041 -0.793 25943 1752 1 5 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.231 -0.565 25943 1753 1 5 . 1 1 13 13 GLU CB C 13 28.253 28.253 30.027 -1.774 25943 1754 1 5 . 1 1 13 13 GLU H H 13 7.975 7.975 7.600 0.375 25943 1755 1 5 . 1 1 14 14 ASP N N 14 116.190 116.190 117.726 -1.536 25943 1756 1 5 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.578 0.059 25943 1757 1 5 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.664 -0.529 25943 1758 1 5 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.913 -2.259 25943 1759 1 5 . 1 1 14 14 ASP H H 14 7.293 7.293 7.794 -0.501 25943 1760 1 5 . 1 1 15 15 LEU N N 15 119.530 119.530 120.160 -0.630 25943 1761 1 5 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.292 0.017 25943 1762 1 5 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.172 0.516 25943 1763 1 5 . 1 1 15 15 LEU CB C 15 41.930 41.930 43.107 -1.177 25943 1764 1 5 . 1 1 15 15 LEU H H 15 7.301 7.301 7.289 0.012 25943 1765 1 5 . 1 1 16 16 GLU N N 16 121.840 121.840 121.076 0.764 25943 1766 1 5 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.131 0.385 25943 1767 1 5 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.673 -0.867 25943 1768 1 5 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.989 -1.757 25943 1769 1 5 . 1 1 16 16 GLU H H 16 8.837 8.837 8.506 0.331 25943 1770 1 5 . 1 1 17 17 ASP N N 17 122.070 122.070 124.346 -2.276 25943 1771 1 5 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.315 0.034 25943 1772 1 5 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.855 0.913 25943 1773 1 5 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.738 -0.380 25943 1774 1 5 . 1 1 17 17 ASP H H 17 8.951 8.951 8.731 0.220 25943 1775 1 5 . 1 1 18 18 VAL N N 18 118.150 118.150 119.542 -1.392 25943 1776 1 5 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.870 -0.011 25943 1777 1 5 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.671 0.314 25943 1778 1 5 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.557 -0.014 25943 1779 1 5 . 1 1 18 18 VAL H H 18 8.613 8.613 7.896 0.717 25943 1780 1 5 . 1 1 19 19 ASP N N 19 120.600 120.600 118.678 1.922 25943 1781 1 5 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.464 0.242 25943 1782 1 5 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.311 -0.491 25943 1783 1 5 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.023 1.835 25943 1784 1 5 . 1 1 19 19 ASP H H 19 7.358 7.358 8.409 -1.051 25943 1785 1 5 . 1 1 20 20 LEU N N 20 123.020 123.020 121.551 1.469 25943 1786 1 5 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.075 0.072 25943 1787 1 5 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.774 0.341 25943 1788 1 5 . 1 1 20 20 LEU CB C 20 40.919 40.919 42.048 -1.129 25943 1789 1 5 . 1 1 20 20 LEU H H 20 8.635 8.635 8.303 0.332 25943 1790 1 5 . 1 1 21 21 LYS N N 21 119.120 119.120 119.193 -0.073 25943 1791 1 5 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.941 0.091 25943 1792 1 5 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.904 0.436 25943 1793 1 5 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.223 0.068 25943 1794 1 5 . 1 1 21 21 LYS H H 21 7.914 7.914 7.925 -0.011 25943 1795 1 5 . 1 1 22 22 LYS N N 22 118.660 118.660 119.203 -0.543 25943 1796 1 5 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.039 0.141 25943 1797 1 5 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.436 0.743 25943 1798 1 5 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.316 1.300 25943 1799 1 5 . 1 1 22 22 LYS H H 22 7.715 7.715 7.564 0.151 25943 1800 1 5 . 1 1 23 23 PHE N N 23 123.360 123.360 119.325 4.035 25943 1801 1 5 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.247 -0.276 25943 1802 1 5 . 1 1 23 23 PHE CA C 23 61.390 61.390 62.011 -0.621 25943 1803 1 5 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.090 1.363 25943 1804 1 5 . 1 1 23 23 PHE H H 23 9.148 9.148 7.818 1.330 25943 1805 1 5 . 1 1 24 24 LYS N N 24 117.660 117.660 119.031 -1.371 25943 1806 1 5 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.083 -0.308 25943 1807 1 5 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.823 1.392 25943 1808 1 5 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.325 0.981 25943 1809 1 5 . 1 1 24 24 LYS H H 24 8.750 8.750 7.559 1.191 25943 1810 1 5 . 1 1 25 25 MET N N 25 118.140 118.140 119.289 -1.149 25943 1811 1 5 . 1 1 25 25 MET HA H 25 3.955 3.955 4.152 -0.197 25943 1812 1 5 . 1 1 25 25 MET CA C 25 59.261 59.261 57.192 2.069 25943 1813 1 5 . 1 1 25 25 MET CB C 25 32.276 32.276 32.295 -0.019 25943 1814 1 5 . 1 1 25 25 MET H H 25 8.005 8.005 8.063 -0.058 25943 1815 1 5 . 1 1 26 26 HIS N N 26 114.610 114.610 118.035 -3.425 25943 1816 1 5 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.337 -0.016 25943 1817 1 5 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.269 -0.061 25943 1818 1 5 . 1 1 26 26 HIS CB C 26 29.572 29.572 30.045 -0.473 25943 1819 1 5 . 1 1 26 26 HIS H H 26 7.779 7.779 8.015 -0.236 25943 1820 1 5 . 1 1 27 27 LEU N N 27 119.460 119.460 118.694 0.766 25943 1821 1 5 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.152 -0.151 25943 1822 1 5 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.566 0.180 25943 1823 1 5 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.272 0.634 25943 1824 1 5 . 1 1 27 27 LEU H H 27 7.954 7.954 7.541 0.413 25943 1825 1 5 . 1 1 28 28 GLU N N 28 116.810 116.810 117.529 -0.719 25943 1826 1 5 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.180 0.123 25943 1827 1 5 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.517 -1.277 25943 1828 1 5 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.375 -0.874 25943 1829 1 5 . 1 1 28 28 GLU H H 28 7.870 7.870 7.712 0.158 25943 1830 1 5 . 1 1 29 29 ASP N N 29 116.732 116.732 117.354 -0.622 25943 1831 1 5 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.463 0.405 25943 1832 1 5 . 1 1 29 29 ASP CA C 29 52.127 52.127 54.775 -2.648 25943 1833 1 5 . 1 1 29 29 ASP CB C 29 38.930 38.930 41.080 -2.150 25943 1834 1 5 . 1 1 29 29 ASP H H 29 7.548 7.548 7.582 -0.034 25943 1835 1 5 . 1 1 30 30 TYR N N 30 125.460 125.460 122.033 3.427 25943 1836 1 5 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.490 -0.156 25943 1837 1 5 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.264 2.486 25943 1838 1 5 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.605 0.444 25943 1839 1 5 . 1 1 30 30 TYR H H 30 6.837 6.837 7.463 -0.626 25943 1840 1 5 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.526 0.007 25943 1841 1 5 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.849 0.473 25943 1842 1 5 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.330 -1.001 25943 1843 1 5 . 1 1 33 33 GLN N N 33 120.060 120.060 120.795 -0.735 25943 1844 1 5 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.380 -0.093 25943 1845 1 5 . 1 1 33 33 GLN CA C 33 56.012 56.012 54.071 1.941 25943 1846 1 5 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.045 0.685 25943 1847 1 5 . 1 1 33 33 GLN H H 33 8.453 8.453 8.210 0.243 25943 1848 1 5 . 1 1 34 34 LYS N N 34 121.020 121.020 118.205 2.815 25943 1849 1 5 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.010 0.117 25943 1850 1 5 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.798 0.450 25943 1851 1 5 . 1 1 34 34 LYS CB C 34 31.837 31.837 31.105 0.732 25943 1852 1 5 . 1 1 34 34 LYS H H 34 8.376 8.376 8.414 -0.038 25943 1853 1 5 . 1 1 35 35 GLY N N 35 110.370 110.370 107.356 3.014 25943 1854 1 5 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.330 0.669 25943 1855 1 5 . 1 1 35 35 GLY H H 35 8.630 8.630 8.534 0.096 25943 1856 1 5 . 1 1 36 36 CYS N N 36 117.850 117.850 121.318 -3.468 25943 1857 1 5 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.527 0.157 25943 1858 1 5 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.793 -0.301 25943 1859 1 5 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.785 1.134 25943 1860 1 5 . 1 1 36 36 CYS H H 36 7.855 7.855 8.099 -0.244 25943 1861 1 5 . 1 1 37 37 ILE N N 37 125.540 125.540 127.017 -1.477 25943 1862 1 5 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.293 0.311 25943 1863 1 5 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.993 -0.750 25943 1864 1 5 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.931 0.397 25943 1865 1 5 . 1 1 37 37 ILE H H 37 9.362 9.362 8.464 0.898 25943 1866 1 5 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.547 -0.197 25943 1867 1 5 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.454 -0.209 25943 1868 1 5 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.200 0.260 25943 1869 1 5 . 1 1 39 39 LEU N N 39 120.950 120.950 124.612 -3.662 25943 1870 1 5 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.530 -0.640 25943 1871 1 5 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.214 0.139 25943 1872 1 5 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.482 -0.104 25943 1873 1 5 . 1 1 39 39 LEU H H 39 7.503 7.503 8.237 -0.734 25943 1874 1 5 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.519 -0.169 25943 1875 1 5 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.501 -0.200 25943 1876 1 5 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.540 -0.292 25943 1877 1 5 . 1 1 41 41 ARG N N 41 127.030 127.030 123.569 3.461 25943 1878 1 5 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.015 -0.187 25943 1879 1 5 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.100 1.604 25943 1880 1 5 . 1 1 41 41 ARG CB C 41 30.281 30.281 29.659 0.622 25943 1881 1 5 . 1 1 41 41 ARG H H 41 8.997 8.997 8.593 0.404 25943 1882 1 5 . 1 1 42 42 GLY N N 42 106.770 106.770 106.578 0.192 25943 1883 1 5 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.246 1.258 25943 1884 1 5 . 1 1 42 42 GLY H H 42 8.820 8.820 8.615 0.205 25943 1885 1 5 . 1 1 43 43 GLN N N 43 118.070 118.070 119.699 -1.629 25943 1886 1 5 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.124 -0.110 25943 1887 1 5 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.858 -0.161 25943 1888 1 5 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.679 1.141 25943 1889 1 5 . 1 1 43 43 GLN H H 43 7.724 7.724 7.708 0.016 25943 1890 1 5 . 1 1 44 44 THR N N 44 115.670 115.670 113.840 1.830 25943 1891 1 5 . 1 1 44 44 THR HA H 44 4.220 4.220 4.079 0.141 25943 1892 1 5 . 1 1 44 44 THR CA C 44 67.781 67.781 65.701 2.080 25943 1893 1 5 . 1 1 44 44 THR CB C 44 67.781 67.781 68.448 -0.667 25943 1894 1 5 . 1 1 44 44 THR H H 44 7.641 7.641 7.456 0.185 25943 1895 1 5 . 1 1 45 45 GLU N N 45 119.340 119.340 121.255 -1.915 25943 1896 1 5 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.040 -0.290 25943 1897 1 5 . 1 1 45 45 GLU CA C 45 59.829 59.829 59.016 0.813 25943 1898 1 5 . 1 1 45 45 GLU CB C 45 29.325 29.325 28.742 0.583 25943 1899 1 5 . 1 1 45 45 GLU H H 45 8.412 8.412 7.776 0.636 25943 1900 1 5 . 1 1 46 46 LYS N N 46 115.700 115.700 117.828 -2.128 25943 1901 1 5 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.125 0.047 25943 1902 1 5 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.916 -0.079 25943 1903 1 5 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.626 0.655 25943 1904 1 5 . 1 1 46 46 LYS H H 46 7.289 7.289 7.536 -0.247 25943 1905 1 5 . 1 1 47 47 ALA N N 47 121.880 121.880 122.497 -0.617 25943 1906 1 5 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.268 0.019 25943 1907 1 5 . 1 1 47 47 ALA CA C 47 53.101 53.101 51.656 1.445 25943 1908 1 5 . 1 1 47 47 ALA CB C 47 19.676 19.676 20.297 -0.620 25943 1909 1 5 . 1 1 47 47 ALA H H 47 7.072 7.072 7.450 -0.378 25943 1910 1 5 . 1 1 48 48 ASP N N 48 121.440 121.440 122.243 -0.803 25943 1911 1 5 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.436 0.227 25943 1912 1 5 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.554 -1.508 25943 1913 1 5 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.377 -2.675 25943 1914 1 5 . 1 1 48 48 ASP H H 48 8.654 8.654 8.325 0.329 25943 1915 1 5 . 1 1 49 49 HIS N N 49 112.540 112.540 118.466 -5.926 25943 1916 1 5 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.231 -0.259 25943 1917 1 5 . 1 1 49 49 HIS CA C 49 60.276 60.276 60.016 0.260 25943 1918 1 5 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.863 -1.122 25943 1919 1 5 . 1 1 49 49 HIS H H 49 8.316 8.316 8.531 -0.215 25943 1920 1 5 . 1 1 50 50 VAL N N 50 117.460 117.460 120.072 -2.612 25943 1921 1 5 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.737 -0.060 25943 1922 1 5 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.544 -0.721 25943 1923 1 5 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.726 0.077 25943 1924 1 5 . 1 1 50 50 VAL H H 50 7.610 7.610 8.203 -0.593 25943 1925 1 5 . 1 1 51 51 ASP N N 51 121.430 121.430 119.464 1.966 25943 1926 1 5 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.376 0.059 25943 1927 1 5 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.343 -0.751 25943 1928 1 5 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.045 -0.630 25943 1929 1 5 . 1 1 51 51 ASP H H 51 8.490 8.490 8.344 0.146 25943 1930 1 5 . 1 1 52 52 LEU N N 52 121.030 121.030 121.606 -0.576 25943 1931 1 5 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.934 0.033 25943 1932 1 5 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.352 -0.675 25943 1933 1 5 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.649 0.059 25943 1934 1 5 . 1 1 52 52 LEU H H 52 8.649 8.649 8.387 0.262 25943 1935 1 5 . 1 1 53 53 ALA N N 53 120.440 120.440 119.335 1.105 25943 1936 1 5 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.008 -0.073 25943 1937 1 5 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.393 0.205 25943 1938 1 5 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.034 0.060 25943 1939 1 5 . 1 1 53 53 ALA H H 53 7.423 7.423 7.685 -0.262 25943 1940 1 5 . 1 1 54 54 THR N N 54 113.210 113.210 115.790 -2.580 25943 1941 1 5 . 1 1 54 54 THR HA H 54 3.712 3.712 4.093 -0.381 25943 1942 1 5 . 1 1 54 54 THR CA C 54 66.864 66.864 66.564 0.300 25943 1943 1 5 . 1 1 54 54 THR CB C 54 68.868 68.868 68.890 -0.022 25943 1944 1 5 . 1 1 54 54 THR H H 54 7.683 7.683 7.243 0.440 25943 1945 1 5 . 1 1 55 55 LEU N N 55 122.800 122.800 122.282 0.518 25943 1946 1 5 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.135 0.039 25943 1947 1 5 . 1 1 55 55 LEU CA C 55 58.403 58.403 57.946 0.457 25943 1948 1 5 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.691 1.347 25943 1949 1 5 . 1 1 55 55 LEU H H 55 8.314 8.314 8.148 0.166 25943 1950 1 5 . 1 1 56 56 MET N N 56 115.790 115.790 119.206 -3.416 25943 1951 1 5 . 1 1 56 56 MET HA H 56 3.831 3.831 4.106 -0.275 25943 1952 1 5 . 1 1 56 56 MET CA C 56 60.849 60.849 59.276 1.573 25943 1953 1 5 . 1 1 56 56 MET CB C 56 34.668 34.668 32.978 1.690 25943 1954 1 5 . 1 1 56 56 MET H H 56 8.379 8.379 7.873 0.506 25943 1955 1 5 . 1 1 57 57 ILE N N 57 120.370 120.370 119.322 1.048 25943 1956 1 5 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.740 -0.303 25943 1957 1 5 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.790 0.060 25943 1958 1 5 . 1 1 57 57 ILE CB C 57 38.352 38.352 38.166 0.186 25943 1959 1 5 . 1 1 57 57 ILE H H 57 8.007 8.007 7.789 0.218 25943 1960 1 5 . 1 1 58 58 ASP N N 58 122.569 122.569 119.596 2.973 25943 1961 1 5 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.447 -0.100 25943 1962 1 5 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.488 -0.826 25943 1963 1 5 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.137 -3.227 25943 1964 1 5 . 1 1 58 58 ASP H H 58 9.271 9.271 8.170 1.101 25943 1965 1 5 . 1 1 59 59 PHE N N 59 114.340 114.340 118.841 -4.501 25943 1966 1 5 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.431 -0.207 25943 1967 1 5 . 1 1 59 59 PHE CA C 59 61.376 61.376 59.913 1.463 25943 1968 1 5 . 1 1 59 59 PHE CB C 59 40.530 40.530 40.100 0.430 25943 1969 1 5 . 1 1 59 59 PHE H H 59 8.025 8.025 8.140 -0.115 25943 1970 1 5 . 1 1 60 60 ASN N N 60 112.830 112.830 115.304 -2.474 25943 1971 1 5 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.784 -0.652 25943 1972 1 5 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.210 1.404 25943 1973 1 5 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.083 2.877 25943 1974 1 5 . 1 1 60 60 ASN H H 60 7.601 7.601 7.869 -0.268 25943 1975 1 5 . 1 1 61 61 GLY N N 61 110.840 110.840 106.795 4.045 25943 1976 1 5 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.573 0.169 25943 1977 1 5 . 1 1 61 61 GLY H H 61 8.626 8.626 7.204 1.422 25943 1978 1 5 . 1 1 62 62 GLU N N 62 117.990 117.990 122.427 -4.437 25943 1979 1 5 . 1 1 62 62 GLU HA H 62 3.932 3.932 4.117 -0.185 25943 1980 1 5 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.476 2.263 25943 1981 1 5 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.613 0.635 25943 1982 1 5 . 1 1 62 62 GLU H H 62 8.841 8.841 8.928 -0.087 25943 1983 1 5 . 1 1 63 63 GLU N N 63 118.090 118.090 120.035 -1.945 25943 1984 1 5 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.132 -0.104 25943 1985 1 5 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.483 1.269 25943 1986 1 5 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.306 -0.982 25943 1987 1 5 . 1 1 63 63 GLU H H 63 8.535 8.535 8.760 -0.225 25943 1988 1 5 . 1 1 64 64 LYS N N 64 119.720 119.720 119.675 0.045 25943 1989 1 5 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.164 -0.082 25943 1990 1 5 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.846 0.338 25943 1991 1 5 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.435 -0.677 25943 1992 1 5 . 1 1 64 64 LYS H H 64 9.107 9.107 8.206 0.901 25943 1993 1 5 . 1 1 65 65 ALA N N 65 120.030 120.030 122.945 -2.915 25943 1994 1 5 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.111 -0.193 25943 1995 1 5 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.204 0.730 25943 1996 1 5 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.321 1.268 25943 1997 1 5 . 1 1 65 65 ALA H H 65 8.179 8.179 8.171 0.008 25943 1998 1 5 . 1 1 66 66 TRP N N 66 116.210 116.210 119.269 -3.059 25943 1999 1 5 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.171 -0.197 25943 2000 1 5 . 1 1 66 66 TRP CA C 66 61.302 61.302 62.035 -0.733 25943 2001 1 5 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.053 -0.098 25943 2002 1 5 . 1 1 66 66 TRP H H 66 7.900 7.900 7.738 0.162 25943 2003 1 5 . 1 1 67 67 ALA N N 67 119.640 119.640 121.439 -1.799 25943 2004 1 5 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.022 0.009 25943 2005 1 5 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.145 0.467 25943 2006 1 5 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.182 -0.076 25943 2007 1 5 . 1 1 67 67 ALA H H 67 7.754 7.754 7.795 -0.041 25943 2008 1 5 . 1 1 68 68 MET N N 68 118.260 118.260 117.299 0.961 25943 2009 1 5 . 1 1 68 68 MET HA H 68 4.262 4.262 4.270 -0.008 25943 2010 1 5 . 1 1 68 68 MET CA C 68 58.647 58.647 58.813 -0.166 25943 2011 1 5 . 1 1 68 68 MET CB C 68 34.369 34.369 32.780 1.589 25943 2012 1 5 . 1 1 68 68 MET H H 68 8.500 8.500 8.317 0.183 25943 2013 1 5 . 1 1 69 69 ALA N N 69 120.358 120.358 122.972 -2.614 25943 2014 1 5 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.141 -0.568 25943 2015 1 5 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.333 0.296 25943 2016 1 5 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.150 -0.437 25943 2017 1 5 . 1 1 69 69 ALA H H 69 7.922 7.922 8.386 -0.464 25943 2018 1 5 . 1 1 70 70 VAL N N 70 114.916 114.916 115.282 -0.366 25943 2019 1 5 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.704 -0.301 25943 2020 1 5 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.183 2.751 25943 2021 1 5 . 1 1 70 70 VAL CB C 70 32.288 32.288 30.927 1.361 25943 2022 1 5 . 1 1 70 70 VAL H H 70 8.202 8.202 8.195 0.007 25943 2023 1 5 . 1 1 71 71 TRP N N 71 118.400 118.400 123.226 -4.826 25943 2024 1 5 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.374 -0.237 25943 2025 1 5 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.704 0.558 25943 2026 1 5 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.963 -0.721 25943 2027 1 5 . 1 1 71 71 TRP H H 71 7.806 7.806 7.918 -0.112 25943 2028 1 5 . 1 1 72 72 ILE N N 72 119.430 119.430 119.398 0.032 25943 2029 1 5 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.517 -0.395 25943 2030 1 5 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.972 0.891 25943 2031 1 5 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.887 -1.217 25943 2032 1 5 . 1 1 72 72 ILE H H 72 8.654 8.654 8.234 0.420 25943 2033 1 5 . 1 1 73 73 PHE N N 73 118.760 118.760 119.556 -0.796 25943 2034 1 5 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.076 0.438 25943 2035 1 5 . 1 1 73 73 PHE CA C 73 59.154 59.154 60.507 -1.353 25943 2036 1 5 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.926 -0.605 25943 2037 1 5 . 1 1 73 73 PHE H H 73 9.015 9.015 7.773 1.242 25943 2038 1 5 . 1 1 74 74 ALA N N 74 118.190 118.190 119.879 -1.689 25943 2039 1 5 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.931 -0.270 25943 2040 1 5 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.824 0.338 25943 2041 1 5 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.687 -0.536 25943 2042 1 5 . 1 1 74 74 ALA H H 74 7.363 7.363 7.634 -0.271 25943 2043 1 5 . 1 1 75 75 ALA N N 75 122.920 122.920 122.585 0.335 25943 2044 1 5 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.901 -0.166 25943 2045 1 5 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.358 0.268 25943 2046 1 5 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.159 -0.582 25943 2047 1 5 . 1 1 75 75 ALA H H 75 7.640 7.640 7.139 0.501 25943 2048 1 5 . 1 1 76 76 ILE N N 76 108.850 108.850 114.735 -5.885 25943 2049 1 5 . 1 1 76 76 ILE HA H 76 4.496 4.496 3.888 0.608 25943 2050 1 5 . 1 1 76 76 ILE CA C 76 60.678 60.678 61.429 -0.751 25943 2051 1 5 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.769 0.623 25943 2052 1 5 . 1 1 76 76 ILE H H 76 7.901 7.901 7.389 0.512 25943 2053 1 5 . 1 1 77 77 ASN N N 77 116.232 116.232 114.206 2.026 25943 2054 1 5 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.346 -0.088 25943 2055 1 5 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.871 0.199 25943 2056 1 5 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.272 -0.354 25943 2057 1 5 . 1 1 77 77 ASN H H 77 7.865 7.865 7.884 -0.019 25943 2058 1 5 . 1 1 78 78 ARG N N 78 118.810 118.810 119.643 -0.833 25943 2059 1 5 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.392 0.576 25943 2060 1 5 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.569 -4.646 25943 2061 1 5 . 1 1 78 78 ARG CB C 78 26.617 26.617 28.787 -2.170 25943 2062 1 5 . 1 1 78 78 ARG H H 78 8.325 8.325 7.707 0.618 25943 2063 1 5 . 1 1 79 79 ARG N N 79 122.270 122.270 121.881 0.389 25943 2064 1 5 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.954 -0.043 25943 2065 1 5 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.357 -0.163 25943 2066 1 5 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.946 -0.388 25943 2067 1 5 . 1 1 79 79 ARG H H 79 8.171 8.171 8.214 -0.043 25943 2068 1 5 . 1 1 80 80 ASP N N 80 117.180 117.180 118.637 -1.457 25943 2069 1 5 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.383 -0.524 25943 2070 1 5 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.663 -0.497 25943 2071 1 5 . 1 1 80 80 ASP CB C 80 38.372 38.372 39.873 -1.501 25943 2072 1 5 . 1 1 80 80 ASP H H 80 9.124 9.124 8.526 0.598 25943 2073 1 5 . 1 1 81 81 LEU N N 81 120.540 120.540 120.270 0.270 25943 2074 1 5 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.135 -0.296 25943 2075 1 5 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.166 -0.403 25943 2076 1 5 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.891 -1.601 25943 2077 1 5 . 1 1 81 81 LEU H H 81 7.267 7.267 7.826 -0.559 25943 2078 1 5 . 1 1 82 82 TYR N N 82 119.140 119.140 119.295 -0.155 25943 2079 1 5 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.308 -0.149 25943 2080 1 5 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.932 0.307 25943 2081 1 5 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.454 0.237 25943 2082 1 5 . 1 1 82 82 TYR H H 82 8.041 8.041 7.944 0.097 25943 2083 1 5 . 1 1 83 83 GLU N N 83 115.620 115.620 119.513 -3.893 25943 2084 1 5 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.957 -0.261 25943 2085 1 5 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.358 -0.278 25943 2086 1 5 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.234 -0.097 25943 2087 1 5 . 1 1 83 83 GLU H H 83 8.194 8.194 7.913 0.281 25943 2088 1 5 . 1 1 84 84 LYS N N 84 118.080 118.080 118.785 -0.705 25943 2089 1 5 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.164 -0.247 25943 2090 1 5 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.850 0.914 25943 2091 1 5 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.583 0.791 25943 2092 1 5 . 1 1 84 84 LYS H H 84 7.446 7.446 7.515 -0.069 25943 2093 1 5 . 1 1 85 85 ALA N N 85 120.470 120.470 122.667 -2.197 25943 2094 1 5 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.032 0.091 25943 2095 1 5 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.852 0.258 25943 2096 1 5 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.126 0.256 25943 2097 1 5 . 1 1 85 85 ALA H H 85 8.651 8.651 8.457 0.194 25943 2098 1 5 . 1 1 86 86 LYS N N 86 117.610 117.610 117.395 0.215 25943 2099 1 5 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.919 0.091 25943 2100 1 5 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.202 0.967 25943 2101 1 5 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.087 -0.297 25943 2102 1 5 . 1 1 86 86 LYS H H 86 8.059 8.059 7.816 0.243 25943 2103 1 5 . 1 1 87 87 ARG N N 87 116.900 116.900 117.848 -0.948 25943 2104 1 5 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.192 -0.027 25943 2105 1 5 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.026 -0.327 25943 2106 1 5 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.378 -0.062 25943 2107 1 5 . 1 1 87 87 ARG H H 87 7.196 7.196 7.707 -0.511 25943 2108 1 5 . 1 1 88 88 ASP N N 88 119.290 119.290 117.222 2.068 25943 2109 1 5 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.682 0.012 25943 2110 1 5 . 1 1 88 88 ASP CA C 88 53.669 53.669 53.924 -0.255 25943 2111 1 5 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.491 0.928 25943 2112 1 5 . 1 1 88 88 ASP H H 88 7.507 7.507 7.598 -0.091 25943 2113 1 5 . 1 1 89 89 GLU N N 89 119.970 119.970 121.000 -1.030 25943 2114 1 5 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.278 -0.874 25943 2115 1 5 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.860 -0.425 25943 2116 1 5 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.204 -0.983 25943 2117 1 5 . 1 1 89 89 GLU H H 89 7.337 7.337 7.413 -0.076 25943 2118 1 5 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.352 -0.146 25943 2119 1 5 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.885 0.371 25943 2120 1 5 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.158 -0.365 25943 2121 1 6 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.467 -0.311 25943 2122 1 6 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.783 -0.080 25943 2123 1 6 . 1 1 2 2 ALA CB C 2 19.641 19.641 18.533 1.108 25943 2124 1 6 . 1 1 3 3 SER N N 3 115.850 115.850 118.310 -2.460 25943 2125 1 6 . 1 1 3 3 SER HA H 3 4.696 4.696 4.467 0.229 25943 2126 1 6 . 1 1 3 3 SER CA C 3 57.756 57.756 58.226 -0.470 25943 2127 1 6 . 1 1 3 3 SER CB C 3 64.325 64.325 64.323 0.002 25943 2128 1 6 . 1 1 3 3 SER H H 3 8.757 8.757 8.143 0.614 25943 2129 1 6 . 1 1 4 4 THR N N 4 118.590 118.590 121.268 -2.678 25943 2130 1 6 . 1 1 4 4 THR HA H 4 4.213 4.213 4.137 0.076 25943 2131 1 6 . 1 1 4 4 THR CA C 4 64.714 64.714 65.624 -0.910 25943 2132 1 6 . 1 1 4 4 THR CB C 4 68.864 68.864 68.977 -0.113 25943 2133 1 6 . 1 1 4 4 THR H H 4 8.854 8.854 8.666 0.188 25943 2134 1 6 . 1 1 5 5 ARG N N 5 122.240 122.240 121.162 1.078 25943 2135 1 6 . 1 1 5 5 ARG HA H 5 3.969 3.969 3.938 0.031 25943 2136 1 6 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.746 -0.487 25943 2137 1 6 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.660 0.611 25943 2138 1 6 . 1 1 5 5 ARG H H 5 8.535 8.535 8.603 -0.068 25943 2139 1 6 . 1 1 6 6 CYS N N 6 118.400 118.400 116.840 1.560 25943 2140 1 6 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.205 0.042 25943 2141 1 6 . 1 1 6 6 CYS CA C 6 61.224 61.224 61.690 -0.466 25943 2142 1 6 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.759 0.444 25943 2143 1 6 . 1 1 6 6 CYS H H 6 8.174 8.174 7.991 0.183 25943 2144 1 6 . 1 1 7 7 LYS N N 7 123.084 123.084 120.625 2.459 25943 2145 1 6 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.150 -0.082 25943 2146 1 6 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.312 0.372 25943 2147 1 6 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.175 0.662 25943 2148 1 6 . 1 1 7 7 LYS H H 7 8.395 8.395 7.378 1.017 25943 2149 1 6 . 1 1 8 8 LEU N N 8 120.110 120.110 119.502 0.608 25943 2150 1 6 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.147 -0.173 25943 2151 1 6 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.910 0.328 25943 2152 1 6 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.368 0.085 25943 2153 1 6 . 1 1 8 8 LEU H H 8 8.546 8.546 7.882 0.664 25943 2154 1 6 . 1 1 9 9 ALA N N 9 118.910 118.910 121.138 -2.228 25943 2155 1 6 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.009 -0.133 25943 2156 1 6 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.353 0.283 25943 2157 1 6 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.221 0.354 25943 2158 1 6 . 1 1 9 9 ALA H H 9 8.076 8.076 7.931 0.145 25943 2159 1 6 . 1 1 10 10 ARG N N 10 116.760 116.760 117.960 -1.200 25943 2160 1 6 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.036 -0.084 25943 2161 1 6 . 1 1 10 10 ARG CA C 10 58.710 58.710 58.437 0.273 25943 2162 1 6 . 1 1 10 10 ARG CB C 10 29.724 29.724 29.811 -0.087 25943 2163 1 6 . 1 1 10 10 ARG H H 10 7.556 7.556 7.743 -0.187 25943 2164 1 6 . 1 1 11 11 TYR N N 11 117.102 117.102 119.423 -2.321 25943 2165 1 6 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.329 0.018 25943 2166 1 6 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.390 0.308 25943 2167 1 6 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.317 -0.009 25943 2168 1 6 . 1 1 11 11 TYR H H 11 7.510 7.510 7.276 0.234 25943 2169 1 6 . 1 1 12 12 LEU N N 12 116.791 116.791 118.826 -2.035 25943 2170 1 6 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.871 0.026 25943 2171 1 6 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.673 -0.097 25943 2172 1 6 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.152 -0.206 25943 2173 1 6 . 1 1 12 12 LEU H H 12 7.893 7.893 8.631 -0.738 25943 2174 1 6 . 1 1 13 13 GLU N N 13 117.866 117.866 116.722 1.144 25943 2175 1 6 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.148 -0.900 25943 2176 1 6 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.849 -0.182 25943 2177 1 6 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.469 -1.216 25943 2178 1 6 . 1 1 13 13 GLU H H 13 7.975 7.975 7.675 0.300 25943 2179 1 6 . 1 1 14 14 ASP N N 14 116.190 116.190 117.358 -1.168 25943 2180 1 6 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.439 0.198 25943 2181 1 6 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.924 -0.789 25943 2182 1 6 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.987 -2.333 25943 2183 1 6 . 1 1 14 14 ASP H H 14 7.293 7.293 7.780 -0.487 25943 2184 1 6 . 1 1 15 15 LEU N N 15 119.530 119.530 118.949 0.581 25943 2185 1 6 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.436 -0.127 25943 2186 1 6 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.701 0.988 25943 2187 1 6 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.899 -0.969 25943 2188 1 6 . 1 1 15 15 LEU H H 15 7.301 7.301 7.143 0.158 25943 2189 1 6 . 1 1 16 16 GLU N N 16 121.840 121.840 120.732 1.108 25943 2190 1 6 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.161 0.355 25943 2191 1 6 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.400 -0.594 25943 2192 1 6 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.951 -1.719 25943 2193 1 6 . 1 1 16 16 GLU H H 16 8.837 8.837 8.449 0.388 25943 2194 1 6 . 1 1 17 17 ASP N N 17 122.070 122.070 124.764 -2.694 25943 2195 1 6 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.314 0.035 25943 2196 1 6 . 1 1 17 17 ASP CA C 17 58.768 58.768 58.140 0.628 25943 2197 1 6 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.466 -0.108 25943 2198 1 6 . 1 1 17 17 ASP H H 17 8.951 8.951 8.729 0.222 25943 2199 1 6 . 1 1 18 18 VAL N N 18 118.150 118.150 119.558 -1.408 25943 2200 1 6 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.852 0.007 25943 2201 1 6 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.490 0.496 25943 2202 1 6 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.529 0.014 25943 2203 1 6 . 1 1 18 18 VAL H H 18 8.613 8.613 7.870 0.743 25943 2204 1 6 . 1 1 19 19 ASP N N 19 120.600 120.600 119.510 1.090 25943 2205 1 6 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.462 0.244 25943 2206 1 6 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.898 -0.078 25943 2207 1 6 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.557 1.301 25943 2208 1 6 . 1 1 19 19 ASP H H 19 7.358 7.358 8.306 -0.948 25943 2209 1 6 . 1 1 20 20 LEU N N 20 123.020 123.020 120.819 2.201 25943 2210 1 6 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.051 0.096 25943 2211 1 6 . 1 1 20 20 LEU CA C 20 58.115 58.115 58.512 -0.397 25943 2212 1 6 . 1 1 20 20 LEU CB C 20 40.919 40.919 42.068 -1.149 25943 2213 1 6 . 1 1 20 20 LEU H H 20 8.635 8.635 8.131 0.504 25943 2214 1 6 . 1 1 21 21 LYS N N 21 119.120 119.120 118.411 0.709 25943 2215 1 6 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.980 0.052 25943 2216 1 6 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.532 0.808 25943 2217 1 6 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.077 0.214 25943 2218 1 6 . 1 1 21 21 LYS H H 21 7.914 7.914 7.477 0.437 25943 2219 1 6 . 1 1 22 22 LYS N N 22 118.660 118.660 118.862 -0.202 25943 2220 1 6 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.063 0.117 25943 2221 1 6 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.244 0.935 25943 2222 1 6 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.153 1.462 25943 2223 1 6 . 1 1 22 22 LYS H H 22 7.715 7.715 7.438 0.277 25943 2224 1 6 . 1 1 23 23 PHE N N 23 123.360 123.360 120.692 2.668 25943 2225 1 6 . 1 1 23 23 PHE HA H 23 3.971 3.971 3.979 -0.008 25943 2226 1 6 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.619 -0.229 25943 2227 1 6 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.211 1.242 25943 2228 1 6 . 1 1 23 23 PHE H H 23 9.148 9.148 7.860 1.288 25943 2229 1 6 . 1 1 24 24 LYS N N 24 117.660 117.660 119.088 -1.428 25943 2230 1 6 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.018 -0.243 25943 2231 1 6 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.448 1.767 25943 2232 1 6 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.431 0.875 25943 2233 1 6 . 1 1 24 24 LYS H H 24 8.750 8.750 7.598 1.152 25943 2234 1 6 . 1 1 25 25 MET N N 25 118.140 118.140 119.199 -1.059 25943 2235 1 6 . 1 1 25 25 MET HA H 25 3.955 3.955 4.299 -0.344 25943 2236 1 6 . 1 1 25 25 MET CA C 25 59.261 59.261 58.558 0.703 25943 2237 1 6 . 1 1 25 25 MET CB C 25 32.276 32.276 32.794 -0.518 25943 2238 1 6 . 1 1 25 25 MET H H 25 8.005 8.005 7.870 0.135 25943 2239 1 6 . 1 1 26 26 HIS N N 26 114.610 114.610 116.443 -1.833 25943 2240 1 6 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.383 -0.062 25943 2241 1 6 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.432 0.776 25943 2242 1 6 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.178 0.394 25943 2243 1 6 . 1 1 26 26 HIS H H 26 7.779 7.779 7.888 -0.109 25943 2244 1 6 . 1 1 27 27 LEU N N 27 119.460 119.460 120.900 -1.440 25943 2245 1 6 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.078 -0.077 25943 2246 1 6 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.545 0.201 25943 2247 1 6 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.783 1.123 25943 2248 1 6 . 1 1 27 27 LEU H H 27 7.954 7.954 7.537 0.417 25943 2249 1 6 . 1 1 28 28 GLU N N 28 116.810 116.810 116.800 0.010 25943 2250 1 6 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.157 0.146 25943 2251 1 6 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.299 -1.059 25943 2252 1 6 . 1 1 28 28 GLU CB C 28 28.501 28.501 30.034 -1.533 25943 2253 1 6 . 1 1 28 28 GLU H H 28 7.870 7.870 7.666 0.204 25943 2254 1 6 . 1 1 29 29 ASP N N 29 116.732 116.732 118.581 -1.849 25943 2255 1 6 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.739 0.129 25943 2256 1 6 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.419 -1.292 25943 2257 1 6 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.889 -1.959 25943 2258 1 6 . 1 1 29 29 ASP H H 29 7.548 7.548 7.539 0.009 25943 2259 1 6 . 1 1 30 30 TYR N N 30 125.460 125.460 122.868 2.592 25943 2260 1 6 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.435 -0.101 25943 2261 1 6 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.477 2.273 25943 2262 1 6 . 1 1 30 30 TYR CB C 30 39.049 39.049 39.267 -0.218 25943 2263 1 6 . 1 1 30 30 TYR H H 30 6.837 6.837 7.617 -0.780 25943 2264 1 6 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.589 -0.056 25943 2265 1 6 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.848 0.474 25943 2266 1 6 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.147 -0.818 25943 2267 1 6 . 1 1 33 33 GLN N N 33 120.060 120.060 124.149 -4.089 25943 2268 1 6 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.251 0.036 25943 2269 1 6 . 1 1 33 33 GLN CA C 33 56.012 56.012 57.099 -1.087 25943 2270 1 6 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.497 0.233 25943 2271 1 6 . 1 1 33 33 GLN H H 33 8.453 8.453 9.033 -0.580 25943 2272 1 6 . 1 1 34 34 LYS N N 34 121.020 121.020 116.754 4.266 25943 2273 1 6 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.486 -0.359 25943 2274 1 6 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.371 0.877 25943 2275 1 6 . 1 1 34 34 LYS CB C 34 31.837 31.837 32.616 -0.779 25943 2276 1 6 . 1 1 34 34 LYS H H 34 8.376 8.376 7.929 0.447 25943 2277 1 6 . 1 1 35 35 GLY N N 35 110.370 110.370 110.917 -0.547 25943 2278 1 6 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.000 0.999 25943 2279 1 6 . 1 1 35 35 GLY H H 35 8.630 8.630 8.265 0.365 25943 2280 1 6 . 1 1 36 36 CYS N N 36 117.850 117.850 121.634 -3.784 25943 2281 1 6 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.513 0.171 25943 2282 1 6 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.194 -0.702 25943 2283 1 6 . 1 1 36 36 CYS CB C 36 29.919 29.919 27.074 2.845 25943 2284 1 6 . 1 1 36 36 CYS H H 36 7.855 7.855 8.382 -0.527 25943 2285 1 6 . 1 1 37 37 ILE N N 37 125.540 125.540 125.109 0.431 25943 2286 1 6 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.512 0.092 25943 2287 1 6 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.074 0.169 25943 2288 1 6 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.748 0.580 25943 2289 1 6 . 1 1 37 37 ILE H H 37 9.362 9.362 8.223 1.139 25943 2290 1 6 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.512 -0.162 25943 2291 1 6 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.472 -0.227 25943 2292 1 6 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.408 0.052 25943 2293 1 6 . 1 1 39 39 LEU N N 39 120.950 120.950 125.571 -4.621 25943 2294 1 6 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.406 -0.516 25943 2295 1 6 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.161 0.192 25943 2296 1 6 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.767 -0.389 25943 2297 1 6 . 1 1 39 39 LEU H H 39 7.503 7.503 8.107 -0.604 25943 2298 1 6 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.405 -0.055 25943 2299 1 6 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.608 -0.307 25943 2300 1 6 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.640 -0.392 25943 2301 1 6 . 1 1 41 41 ARG N N 41 127.030 127.030 125.901 1.129 25943 2302 1 6 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.968 -0.140 25943 2303 1 6 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.910 0.794 25943 2304 1 6 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.215 0.066 25943 2305 1 6 . 1 1 41 41 ARG H H 41 8.997 8.997 8.706 0.291 25943 2306 1 6 . 1 1 42 42 GLY N N 42 106.770 106.770 106.969 -0.199 25943 2307 1 6 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.850 0.655 25943 2308 1 6 . 1 1 42 42 GLY H H 42 8.820 8.820 8.636 0.184 25943 2309 1 6 . 1 1 43 43 GLN N N 43 118.070 118.070 120.313 -2.243 25943 2310 1 6 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.186 -0.172 25943 2311 1 6 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.914 -0.217 25943 2312 1 6 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.213 1.607 25943 2313 1 6 . 1 1 43 43 GLN H H 43 7.724 7.724 8.408 -0.684 25943 2314 1 6 . 1 1 44 44 THR N N 44 115.670 115.670 115.891 -0.221 25943 2315 1 6 . 1 1 44 44 THR HA H 44 4.220 4.220 4.060 0.160 25943 2316 1 6 . 1 1 44 44 THR CA C 44 67.781 67.781 66.109 1.672 25943 2317 1 6 . 1 1 44 44 THR CB C 44 67.781 67.781 68.832 -1.051 25943 2318 1 6 . 1 1 44 44 THR H H 44 7.641 7.641 7.836 -0.195 25943 2319 1 6 . 1 1 45 45 GLU N N 45 119.340 119.340 119.764 -0.424 25943 2320 1 6 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.189 -0.440 25943 2321 1 6 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.436 1.393 25943 2322 1 6 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.498 -0.173 25943 2323 1 6 . 1 1 45 45 GLU H H 45 8.412 8.412 8.115 0.297 25943 2324 1 6 . 1 1 46 46 LYS N N 46 115.700 115.700 118.378 -2.678 25943 2325 1 6 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.111 0.061 25943 2326 1 6 . 1 1 46 46 LYS CA C 46 56.837 56.837 57.070 -0.233 25943 2327 1 6 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.764 0.517 25943 2328 1 6 . 1 1 46 46 LYS H H 46 7.289 7.289 7.789 -0.500 25943 2329 1 6 . 1 1 47 47 ALA N N 47 121.880 121.880 123.295 -1.415 25943 2330 1 6 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.255 0.032 25943 2331 1 6 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.179 0.922 25943 2332 1 6 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.576 0.100 25943 2333 1 6 . 1 1 47 47 ALA H H 47 7.072 7.072 7.381 -0.309 25943 2334 1 6 . 1 1 48 48 ASP N N 48 121.440 121.440 123.725 -2.285 25943 2335 1 6 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.708 -0.045 25943 2336 1 6 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.768 -1.722 25943 2337 1 6 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.654 -2.951 25943 2338 1 6 . 1 1 48 48 ASP H H 48 8.654 8.654 8.391 0.263 25943 2339 1 6 . 1 1 49 49 HIS N N 49 112.540 112.540 119.863 -7.323 25943 2340 1 6 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.203 -0.231 25943 2341 1 6 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.537 0.739 25943 2342 1 6 . 1 1 49 49 HIS CB C 49 28.741 28.741 28.794 -0.053 25943 2343 1 6 . 1 1 49 49 HIS H H 49 8.316 8.316 9.231 -0.915 25943 2344 1 6 . 1 1 50 50 VAL N N 50 117.460 117.460 119.555 -2.095 25943 2345 1 6 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.617 0.060 25943 2346 1 6 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.139 -0.316 25943 2347 1 6 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.162 0.641 25943 2348 1 6 . 1 1 50 50 VAL H H 50 7.610 7.610 7.099 0.511 25943 2349 1 6 . 1 1 51 51 ASP N N 51 121.430 121.430 119.575 1.855 25943 2350 1 6 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.307 0.128 25943 2351 1 6 . 1 1 51 51 ASP CA C 51 56.592 56.592 56.826 -0.234 25943 2352 1 6 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.764 -1.349 25943 2353 1 6 . 1 1 51 51 ASP H H 51 8.490 8.490 7.950 0.540 25943 2354 1 6 . 1 1 52 52 LEU N N 52 121.030 121.030 121.213 -0.183 25943 2355 1 6 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.858 0.109 25943 2356 1 6 . 1 1 52 52 LEU CA C 52 57.677 57.677 57.998 -0.321 25943 2357 1 6 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.811 -0.103 25943 2358 1 6 . 1 1 52 52 LEU H H 52 8.649 8.649 8.685 -0.036 25943 2359 1 6 . 1 1 53 53 ALA N N 53 120.440 120.440 119.259 1.181 25943 2360 1 6 . 1 1 53 53 ALA HA H 53 3.935 3.935 3.909 0.026 25943 2361 1 6 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.964 0.634 25943 2362 1 6 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.149 -0.055 25943 2363 1 6 . 1 1 53 53 ALA H H 53 7.423 7.423 7.599 -0.176 25943 2364 1 6 . 1 1 54 54 THR N N 54 113.210 113.210 116.352 -3.142 25943 2365 1 6 . 1 1 54 54 THR HA H 54 3.712 3.712 4.029 -0.317 25943 2366 1 6 . 1 1 54 54 THR CA C 54 66.864 66.864 66.504 0.360 25943 2367 1 6 . 1 1 54 54 THR CB C 54 68.868 68.868 68.954 -0.086 25943 2368 1 6 . 1 1 54 54 THR H H 54 7.683 7.683 7.420 0.263 25943 2369 1 6 . 1 1 55 55 LEU N N 55 122.800 122.800 123.459 -0.659 25943 2370 1 6 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.172 0.002 25943 2371 1 6 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.126 0.277 25943 2372 1 6 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.890 1.148 25943 2373 1 6 . 1 1 55 55 LEU H H 55 8.314 8.314 7.974 0.340 25943 2374 1 6 . 1 1 56 56 MET N N 56 115.790 115.790 118.373 -2.583 25943 2375 1 6 . 1 1 56 56 MET HA H 56 3.831 3.831 4.227 -0.396 25943 2376 1 6 . 1 1 56 56 MET CA C 56 60.849 60.849 58.094 2.755 25943 2377 1 6 . 1 1 56 56 MET CB C 56 34.668 34.668 32.003 2.665 25943 2378 1 6 . 1 1 56 56 MET H H 56 8.379 8.379 7.778 0.601 25943 2379 1 6 . 1 1 57 57 ILE N N 57 120.370 120.370 120.320 0.050 25943 2380 1 6 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.728 -0.291 25943 2381 1 6 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.538 0.312 25943 2382 1 6 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.954 0.398 25943 2383 1 6 . 1 1 57 57 ILE H H 57 8.007 8.007 7.661 0.346 25943 2384 1 6 . 1 1 58 58 ASP N N 58 122.569 122.569 119.706 2.863 25943 2385 1 6 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.416 -0.069 25943 2386 1 6 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.140 -0.478 25943 2387 1 6 . 1 1 58 58 ASP CB C 58 37.910 37.910 40.860 -2.950 25943 2388 1 6 . 1 1 58 58 ASP H H 58 9.271 9.271 8.263 1.008 25943 2389 1 6 . 1 1 59 59 PHE N N 59 114.340 114.340 118.827 -4.487 25943 2390 1 6 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.358 -0.134 25943 2391 1 6 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.300 1.076 25943 2392 1 6 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.910 0.620 25943 2393 1 6 . 1 1 59 59 PHE H H 59 8.025 8.025 8.223 -0.198 25943 2394 1 6 . 1 1 60 60 ASN N N 60 112.830 112.830 114.746 -1.916 25943 2395 1 6 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.767 -0.635 25943 2396 1 6 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.735 0.879 25943 2397 1 6 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.140 2.820 25943 2398 1 6 . 1 1 60 60 ASN H H 60 7.601 7.601 7.789 -0.188 25943 2399 1 6 . 1 1 61 61 GLY N N 61 110.840 110.840 106.466 4.374 25943 2400 1 6 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.620 0.122 25943 2401 1 6 . 1 1 61 61 GLY H H 61 8.626 8.626 7.194 1.432 25943 2402 1 6 . 1 1 62 62 GLU N N 62 117.990 117.990 121.184 -3.194 25943 2403 1 6 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.951 -0.019 25943 2404 1 6 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.342 2.397 25943 2405 1 6 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.753 0.495 25943 2406 1 6 . 1 1 62 62 GLU H H 62 8.841 8.841 8.812 0.029 25943 2407 1 6 . 1 1 63 63 GLU N N 63 118.090 118.090 119.477 -1.387 25943 2408 1 6 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.208 -0.180 25943 2409 1 6 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.453 1.298 25943 2410 1 6 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.336 -1.012 25943 2411 1 6 . 1 1 63 63 GLU H H 63 8.535 8.535 8.860 -0.325 25943 2412 1 6 . 1 1 64 64 LYS N N 64 119.720 119.720 119.831 -0.111 25943 2413 1 6 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.055 0.027 25943 2414 1 6 . 1 1 64 64 LYS CA C 64 59.184 59.184 59.105 0.079 25943 2415 1 6 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.250 -0.492 25943 2416 1 6 . 1 1 64 64 LYS H H 64 9.107 9.107 8.270 0.837 25943 2417 1 6 . 1 1 65 65 ALA N N 65 120.030 120.030 122.595 -2.565 25943 2418 1 6 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.033 -0.115 25943 2419 1 6 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.168 0.766 25943 2420 1 6 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.112 1.477 25943 2421 1 6 . 1 1 65 65 ALA H H 65 8.179 8.179 7.926 0.253 25943 2422 1 6 . 1 1 66 66 TRP N N 66 116.210 116.210 119.512 -3.302 25943 2423 1 6 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.197 -0.223 25943 2424 1 6 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.631 0.671 25943 2425 1 6 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.335 -0.380 25943 2426 1 6 . 1 1 66 66 TRP H H 66 7.900 7.900 7.599 0.301 25943 2427 1 6 . 1 1 67 67 ALA N N 67 119.640 119.640 121.493 -1.853 25943 2428 1 6 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.030 0.001 25943 2429 1 6 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.159 0.453 25943 2430 1 6 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.205 -0.099 25943 2431 1 6 . 1 1 67 67 ALA H H 67 7.754 7.754 7.845 -0.091 25943 2432 1 6 . 1 1 68 68 MET N N 68 118.260 118.260 117.016 1.244 25943 2433 1 6 . 1 1 68 68 MET HA H 68 4.262 4.262 4.302 -0.040 25943 2434 1 6 . 1 1 68 68 MET CA C 68 58.647 58.647 59.030 -0.383 25943 2435 1 6 . 1 1 68 68 MET CB C 68 34.369 34.369 32.829 1.540 25943 2436 1 6 . 1 1 68 68 MET H H 68 8.500 8.500 8.316 0.184 25943 2437 1 6 . 1 1 69 69 ALA N N 69 120.358 120.358 122.404 -2.046 25943 2438 1 6 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.054 -0.481 25943 2439 1 6 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.094 0.535 25943 2440 1 6 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.367 -0.655 25943 2441 1 6 . 1 1 69 69 ALA H H 69 7.922 7.922 8.312 -0.390 25943 2442 1 6 . 1 1 70 70 VAL N N 70 114.916 114.916 115.879 -0.963 25943 2443 1 6 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.940 -0.537 25943 2444 1 6 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.326 2.608 25943 2445 1 6 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.449 0.839 25943 2446 1 6 . 1 1 70 70 VAL H H 70 8.202 8.202 8.358 -0.156 25943 2447 1 6 . 1 1 71 71 TRP N N 71 118.400 118.400 122.045 -3.645 25943 2448 1 6 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.308 -0.171 25943 2449 1 6 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.472 0.790 25943 2450 1 6 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.937 -0.695 25943 2451 1 6 . 1 1 71 71 TRP H H 71 7.806 7.806 7.621 0.185 25943 2452 1 6 . 1 1 72 72 ILE N N 72 119.430 119.430 119.387 0.043 25943 2453 1 6 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.541 -0.419 25943 2454 1 6 . 1 1 72 72 ILE CA C 72 65.863 65.863 65.031 0.831 25943 2455 1 6 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.896 -1.226 25943 2456 1 6 . 1 1 72 72 ILE H H 72 8.654 8.654 7.495 1.159 25943 2457 1 6 . 1 1 73 73 PHE N N 73 118.760 118.760 118.669 0.091 25943 2458 1 6 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.156 0.358 25943 2459 1 6 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.999 -0.845 25943 2460 1 6 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.281 0.041 25943 2461 1 6 . 1 1 73 73 PHE H H 73 9.015 9.015 7.053 1.962 25943 2462 1 6 . 1 1 74 74 ALA N N 74 118.190 118.190 120.071 -1.881 25943 2463 1 6 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.925 -0.264 25943 2464 1 6 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.726 0.436 25943 2465 1 6 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.499 -0.348 25943 2466 1 6 . 1 1 74 74 ALA H H 74 7.363 7.363 7.695 -0.332 25943 2467 1 6 . 1 1 75 75 ALA N N 75 122.920 122.920 121.775 1.145 25943 2468 1 6 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.804 -0.069 25943 2469 1 6 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.117 0.509 25943 2470 1 6 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.376 -0.799 25943 2471 1 6 . 1 1 75 75 ALA H H 75 7.640 7.640 6.999 0.641 25943 2472 1 6 . 1 1 76 76 ILE N N 76 108.850 108.850 113.670 -4.820 25943 2473 1 6 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.032 0.464 25943 2474 1 6 . 1 1 76 76 ILE CA C 76 60.678 60.678 61.136 -0.458 25943 2475 1 6 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.701 0.691 25943 2476 1 6 . 1 1 76 76 ILE H H 76 7.901 7.901 7.482 0.419 25943 2477 1 6 . 1 1 77 77 ASN N N 77 116.232 116.232 114.219 2.013 25943 2478 1 6 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.386 -0.128 25943 2479 1 6 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.914 0.156 25943 2480 1 6 . 1 1 77 77 ASN CB C 77 36.918 36.918 36.640 0.278 25943 2481 1 6 . 1 1 77 77 ASN H H 77 7.865 7.865 7.738 0.127 25943 2482 1 6 . 1 1 78 78 ARG N N 78 118.810 118.810 120.202 -1.392 25943 2483 1 6 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.303 0.665 25943 2484 1 6 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.311 -4.388 25943 2485 1 6 . 1 1 78 78 ARG CB C 78 26.617 26.617 28.074 -1.457 25943 2486 1 6 . 1 1 78 78 ARG H H 78 8.325 8.325 7.977 0.348 25943 2487 1 6 . 1 1 79 79 ARG N N 79 122.270 122.270 120.324 1.946 25943 2488 1 6 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.945 -0.034 25943 2489 1 6 . 1 1 79 79 ARG CA C 79 59.194 59.194 60.572 -1.378 25943 2490 1 6 . 1 1 79 79 ARG CB C 79 29.558 29.558 30.045 -0.487 25943 2491 1 6 . 1 1 79 79 ARG H H 79 8.171 8.171 8.322 -0.151 25943 2492 1 6 . 1 1 80 80 ASP N N 80 117.180 117.180 118.533 -1.353 25943 2493 1 6 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.433 -0.574 25943 2494 1 6 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.067 -0.902 25943 2495 1 6 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.508 -2.136 25943 2496 1 6 . 1 1 80 80 ASP H H 80 9.124 9.124 8.505 0.619 25943 2497 1 6 . 1 1 81 81 LEU N N 81 120.540 120.540 120.673 -0.133 25943 2498 1 6 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.043 -0.204 25943 2499 1 6 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.154 -0.391 25943 2500 1 6 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.114 -0.825 25943 2501 1 6 . 1 1 81 81 LEU H H 81 7.267 7.267 8.073 -0.806 25943 2502 1 6 . 1 1 82 82 TYR N N 82 119.140 119.140 119.543 -0.403 25943 2503 1 6 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.299 -0.140 25943 2504 1 6 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.299 0.940 25943 2505 1 6 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.473 0.218 25943 2506 1 6 . 1 1 82 82 TYR H H 82 8.041 8.041 7.933 0.108 25943 2507 1 6 . 1 1 83 83 GLU N N 83 115.620 115.620 119.671 -4.051 25943 2508 1 6 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.658 0.038 25943 2509 1 6 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.360 -0.280 25943 2510 1 6 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.313 -0.176 25943 2511 1 6 . 1 1 83 83 GLU H H 83 8.194 8.194 7.873 0.321 25943 2512 1 6 . 1 1 84 84 LYS N N 84 118.080 118.080 118.917 -0.837 25943 2513 1 6 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.091 -0.174 25943 2514 1 6 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.726 1.038 25943 2515 1 6 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.544 0.830 25943 2516 1 6 . 1 1 84 84 LYS H H 84 7.446 7.446 7.430 0.016 25943 2517 1 6 . 1 1 85 85 ALA N N 85 120.470 120.470 121.711 -1.241 25943 2518 1 6 . 1 1 85 85 ALA HA H 85 4.123 4.123 3.851 0.272 25943 2519 1 6 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.189 -0.079 25943 2520 1 6 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.378 0.004 25943 2521 1 6 . 1 1 85 85 ALA H H 85 8.651 8.651 7.681 0.970 25943 2522 1 6 . 1 1 86 86 LYS N N 86 117.610 117.610 115.658 1.952 25943 2523 1 6 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.118 -0.108 25943 2524 1 6 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.164 1.005 25943 2525 1 6 . 1 1 86 86 LYS CB C 86 31.791 31.791 31.866 -0.075 25943 2526 1 6 . 1 1 86 86 LYS H H 86 8.059 8.059 7.428 0.631 25943 2527 1 6 . 1 1 87 87 ARG N N 87 116.900 116.900 119.002 -2.102 25943 2528 1 6 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.068 0.097 25943 2529 1 6 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.432 -0.732 25943 2530 1 6 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.138 0.178 25943 2531 1 6 . 1 1 87 87 ARG H H 87 7.196 7.196 7.331 -0.135 25943 2532 1 6 . 1 1 88 88 ASP N N 88 119.290 119.290 116.526 2.764 25943 2533 1 6 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.709 -0.015 25943 2534 1 6 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.452 -0.783 25943 2535 1 6 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.758 0.661 25943 2536 1 6 . 1 1 88 88 ASP H H 88 7.507 7.507 7.670 -0.163 25943 2537 1 6 . 1 1 89 89 GLU N N 89 119.970 119.970 120.653 -0.683 25943 2538 1 6 . 1 1 89 89 GLU HA H 89 3.404 3.404 3.998 -0.594 25943 2539 1 6 . 1 1 89 89 GLU CA C 89 54.435 54.435 55.082 -0.647 25943 2540 1 6 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.536 -1.315 25943 2541 1 6 . 1 1 89 89 GLU H H 89 7.337 7.337 7.201 0.136 25943 2542 1 6 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.425 -0.219 25943 2543 1 6 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.510 0.746 25943 2544 1 6 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.441 -0.647 25943 2545 1 7 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.432 -0.276 25943 2546 1 7 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.086 -0.383 25943 2547 1 7 . 1 1 2 2 ALA CB C 2 19.641 19.641 18.353 1.288 25943 2548 1 7 . 1 1 3 3 SER N N 3 115.850 115.850 120.188 -4.338 25943 2549 1 7 . 1 1 3 3 SER HA H 3 4.696 4.696 4.535 0.161 25943 2550 1 7 . 1 1 3 3 SER CA C 3 57.756 57.756 58.583 -0.827 25943 2551 1 7 . 1 1 3 3 SER CB C 3 64.325 64.325 64.686 -0.361 25943 2552 1 7 . 1 1 3 3 SER H H 3 8.757 8.757 8.184 0.573 25943 2553 1 7 . 1 1 4 4 THR N N 4 118.590 118.590 121.661 -3.071 25943 2554 1 7 . 1 1 4 4 THR HA H 4 4.213 4.213 4.213 0.000 25943 2555 1 7 . 1 1 4 4 THR CA C 4 64.714 64.714 65.593 -0.879 25943 2556 1 7 . 1 1 4 4 THR CB C 4 68.864 68.864 69.218 -0.353 25943 2557 1 7 . 1 1 4 4 THR H H 4 8.854 8.854 8.854 -0.000 25943 2558 1 7 . 1 1 5 5 ARG N N 5 122.240 122.240 122.747 -0.507 25943 2559 1 7 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.038 -0.069 25943 2560 1 7 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.082 -0.823 25943 2561 1 7 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.941 0.330 25943 2562 1 7 . 1 1 5 5 ARG H H 5 8.535 8.535 8.622 -0.087 25943 2563 1 7 . 1 1 6 6 CYS N N 6 118.400 118.400 116.964 1.436 25943 2564 1 7 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.206 0.041 25943 2565 1 7 . 1 1 6 6 CYS CA C 6 61.224 61.224 62.247 -1.023 25943 2566 1 7 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.497 -0.294 25943 2567 1 7 . 1 1 6 6 CYS H H 6 8.174 8.174 7.938 0.236 25943 2568 1 7 . 1 1 7 7 LYS N N 7 123.084 123.084 121.545 1.539 25943 2569 1 7 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.109 -0.041 25943 2570 1 7 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.170 0.514 25943 2571 1 7 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.258 0.580 25943 2572 1 7 . 1 1 7 7 LYS H H 7 8.395 8.395 7.352 1.043 25943 2573 1 7 . 1 1 8 8 LEU N N 8 120.110 120.110 119.793 0.317 25943 2574 1 7 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.030 -0.056 25943 2575 1 7 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.903 0.335 25943 2576 1 7 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.833 -0.379 25943 2577 1 7 . 1 1 8 8 LEU H H 8 8.546 8.546 8.440 0.106 25943 2578 1 7 . 1 1 9 9 ALA N N 9 118.910 118.910 120.526 -1.616 25943 2579 1 7 . 1 1 9 9 ALA HA H 9 3.876 3.876 3.957 -0.081 25943 2580 1 7 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.935 0.701 25943 2581 1 7 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.234 0.341 25943 2582 1 7 . 1 1 9 9 ALA H H 9 8.076 8.076 7.787 0.289 25943 2583 1 7 . 1 1 10 10 ARG N N 10 116.760 116.760 118.642 -1.882 25943 2584 1 7 . 1 1 10 10 ARG HA H 10 3.952 3.952 3.962 -0.010 25943 2585 1 7 . 1 1 10 10 ARG CA C 10 58.710 58.710 58.869 -0.159 25943 2586 1 7 . 1 1 10 10 ARG CB C 10 29.724 29.724 29.870 -0.146 25943 2587 1 7 . 1 1 10 10 ARG H H 10 7.556 7.556 8.068 -0.512 25943 2588 1 7 . 1 1 11 11 TYR N N 11 117.102 117.102 118.221 -1.119 25943 2589 1 7 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.221 0.126 25943 2590 1 7 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.621 0.077 25943 2591 1 7 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.662 -0.354 25943 2592 1 7 . 1 1 11 11 TYR H H 11 7.510 7.510 7.544 -0.034 25943 2593 1 7 . 1 1 12 12 LEU N N 12 116.791 116.791 118.755 -1.964 25943 2594 1 7 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.836 0.061 25943 2595 1 7 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.438 0.138 25943 2596 1 7 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.051 -0.105 25943 2597 1 7 . 1 1 12 12 LEU H H 12 7.893 7.893 7.748 0.145 25943 2598 1 7 . 1 1 13 13 GLU N N 13 117.866 117.866 118.127 -0.261 25943 2599 1 7 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.098 -0.850 25943 2600 1 7 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.991 -0.325 25943 2601 1 7 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.840 -1.587 25943 2602 1 7 . 1 1 13 13 GLU H H 13 7.975 7.975 8.189 -0.214 25943 2603 1 7 . 1 1 14 14 ASP N N 14 116.190 116.190 118.491 -2.301 25943 2604 1 7 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.568 0.069 25943 2605 1 7 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.454 -0.319 25943 2606 1 7 . 1 1 14 14 ASP CB C 14 38.654 38.654 41.312 -2.658 25943 2607 1 7 . 1 1 14 14 ASP H H 14 7.293 7.293 7.730 -0.437 25943 2608 1 7 . 1 1 15 15 LEU N N 15 119.530 119.530 119.801 -0.271 25943 2609 1 7 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.434 -0.125 25943 2610 1 7 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.874 0.815 25943 2611 1 7 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.816 -0.886 25943 2612 1 7 . 1 1 15 15 LEU H H 15 7.301 7.301 6.994 0.307 25943 2613 1 7 . 1 1 16 16 GLU N N 16 121.840 121.840 120.177 1.663 25943 2614 1 7 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.212 0.304 25943 2615 1 7 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.480 -0.674 25943 2616 1 7 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.736 -1.504 25943 2617 1 7 . 1 1 16 16 GLU H H 16 8.837 8.837 8.436 0.401 25943 2618 1 7 . 1 1 17 17 ASP N N 17 122.070 122.070 124.715 -2.645 25943 2619 1 7 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.315 0.034 25943 2620 1 7 . 1 1 17 17 ASP CA C 17 58.768 58.768 58.113 0.655 25943 2621 1 7 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.524 -0.166 25943 2622 1 7 . 1 1 17 17 ASP H H 17 8.951 8.951 8.746 0.205 25943 2623 1 7 . 1 1 18 18 VAL N N 18 118.150 118.150 118.465 -0.315 25943 2624 1 7 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.782 0.077 25943 2625 1 7 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.673 0.313 25943 2626 1 7 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.421 0.122 25943 2627 1 7 . 1 1 18 18 VAL H H 18 8.613 8.613 8.025 0.588 25943 2628 1 7 . 1 1 19 19 ASP N N 19 120.600 120.600 120.317 0.283 25943 2629 1 7 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.441 0.265 25943 2630 1 7 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.019 -0.199 25943 2631 1 7 . 1 1 19 19 ASP CB C 19 41.858 41.858 41.158 0.700 25943 2632 1 7 . 1 1 19 19 ASP H H 19 7.358 7.358 7.484 -0.126 25943 2633 1 7 . 1 1 20 20 LEU N N 20 123.020 123.020 121.819 1.201 25943 2634 1 7 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.009 0.138 25943 2635 1 7 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.622 0.493 25943 2636 1 7 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.324 -0.405 25943 2637 1 7 . 1 1 20 20 LEU H H 20 8.635 8.635 7.700 0.935 25943 2638 1 7 . 1 1 21 21 LYS N N 21 119.120 119.120 119.072 0.048 25943 2639 1 7 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.917 0.115 25943 2640 1 7 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.828 0.512 25943 2641 1 7 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.260 0.031 25943 2642 1 7 . 1 1 21 21 LYS H H 21 7.914 7.914 7.683 0.231 25943 2643 1 7 . 1 1 22 22 LYS N N 22 118.660 118.660 118.418 0.242 25943 2644 1 7 . 1 1 22 22 LYS HA H 22 4.180 4.180 3.940 0.240 25943 2645 1 7 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.977 1.202 25943 2646 1 7 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.179 1.436 25943 2647 1 7 . 1 1 22 22 LYS H H 22 7.715 7.715 7.429 0.286 25943 2648 1 7 . 1 1 23 23 PHE N N 23 123.360 123.360 120.413 2.947 25943 2649 1 7 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.001 -0.030 25943 2650 1 7 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.645 -0.255 25943 2651 1 7 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.289 1.163 25943 2652 1 7 . 1 1 23 23 PHE H H 23 9.148 9.148 7.671 1.477 25943 2653 1 7 . 1 1 24 24 LYS N N 24 117.660 117.660 118.728 -1.068 25943 2654 1 7 . 1 1 24 24 LYS HA H 24 3.775 3.775 3.993 -0.218 25943 2655 1 7 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.423 1.792 25943 2656 1 7 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.254 1.053 25943 2657 1 7 . 1 1 24 24 LYS H H 24 8.750 8.750 7.528 1.222 25943 2658 1 7 . 1 1 25 25 MET N N 25 118.140 118.140 119.290 -1.150 25943 2659 1 7 . 1 1 25 25 MET HA H 25 3.955 3.955 4.147 -0.192 25943 2660 1 7 . 1 1 25 25 MET CA C 25 59.261 59.261 58.122 1.139 25943 2661 1 7 . 1 1 25 25 MET CB C 25 32.276 32.276 32.142 0.134 25943 2662 1 7 . 1 1 25 25 MET H H 25 8.005 8.005 7.759 0.246 25943 2663 1 7 . 1 1 26 26 HIS N N 26 114.610 114.610 117.233 -2.623 25943 2664 1 7 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.520 -0.199 25943 2665 1 7 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.505 0.703 25943 2666 1 7 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.034 0.538 25943 2667 1 7 . 1 1 26 26 HIS H H 26 7.779 7.779 7.558 0.221 25943 2668 1 7 . 1 1 27 27 LEU N N 27 119.460 119.460 119.163 0.297 25943 2669 1 7 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.201 -0.200 25943 2670 1 7 . 1 1 27 27 LEU CA C 27 57.746 57.746 56.901 0.845 25943 2671 1 7 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.669 1.237 25943 2672 1 7 . 1 1 27 27 LEU H H 27 7.954 7.954 7.467 0.487 25943 2673 1 7 . 1 1 28 28 GLU N N 28 116.810 116.810 117.770 -0.960 25943 2674 1 7 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.107 0.196 25943 2675 1 7 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.164 -0.924 25943 2676 1 7 . 1 1 28 28 GLU CB C 28 28.501 28.501 30.391 -1.890 25943 2677 1 7 . 1 1 28 28 GLU H H 28 7.870 7.870 8.298 -0.428 25943 2678 1 7 . 1 1 29 29 ASP N N 29 116.732 116.732 116.569 0.163 25943 2679 1 7 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.709 0.159 25943 2680 1 7 . 1 1 29 29 ASP CA C 29 52.127 52.127 52.381 -0.254 25943 2681 1 7 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.137 -1.207 25943 2682 1 7 . 1 1 29 29 ASP H H 29 7.548 7.548 7.519 0.029 25943 2683 1 7 . 1 1 30 30 TYR N N 30 125.460 125.460 123.128 2.332 25943 2684 1 7 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.439 -0.105 25943 2685 1 7 . 1 1 30 30 TYR CA C 30 58.750 58.750 57.392 1.358 25943 2686 1 7 . 1 1 30 30 TYR CB C 30 39.049 39.049 39.276 -0.227 25943 2687 1 7 . 1 1 30 30 TYR H H 30 6.837 6.837 7.538 -0.701 25943 2688 1 7 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.528 0.005 25943 2689 1 7 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.761 0.561 25943 2690 1 7 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.559 -1.230 25943 2691 1 7 . 1 1 33 33 GLN N N 33 120.060 120.060 123.282 -3.222 25943 2692 1 7 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.244 0.043 25943 2693 1 7 . 1 1 33 33 GLN CA C 33 56.012 56.012 57.381 -1.369 25943 2694 1 7 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.264 0.466 25943 2695 1 7 . 1 1 33 33 GLN H H 33 8.453 8.453 8.668 -0.215 25943 2696 1 7 . 1 1 34 34 LYS N N 34 121.020 121.020 118.008 3.012 25943 2697 1 7 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.367 -0.240 25943 2698 1 7 . 1 1 34 34 LYS CA C 34 57.248 57.248 55.985 1.263 25943 2699 1 7 . 1 1 34 34 LYS CB C 34 31.837 31.837 32.937 -1.100 25943 2700 1 7 . 1 1 34 34 LYS H H 34 8.376 8.376 7.962 0.414 25943 2701 1 7 . 1 1 35 35 GLY N N 35 110.370 110.370 112.159 -1.789 25943 2702 1 7 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.153 0.846 25943 2703 1 7 . 1 1 35 35 GLY H H 35 8.630 8.630 8.555 0.075 25943 2704 1 7 . 1 1 36 36 CYS N N 36 117.850 117.850 118.211 -0.361 25943 2705 1 7 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.346 0.338 25943 2706 1 7 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.792 -0.300 25943 2707 1 7 . 1 1 36 36 CYS CB C 36 29.919 29.919 29.001 0.918 25943 2708 1 7 . 1 1 36 36 CYS H H 36 7.855 7.855 7.893 -0.038 25943 2709 1 7 . 1 1 37 37 ILE N N 37 125.540 125.540 127.299 -1.759 25943 2710 1 7 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.375 0.229 25943 2711 1 7 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.930 -0.687 25943 2712 1 7 . 1 1 37 37 ILE CB C 37 39.328 39.328 39.090 0.238 25943 2713 1 7 . 1 1 37 37 ILE H H 37 9.362 9.362 8.357 1.005 25943 2714 1 7 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.515 -0.165 25943 2715 1 7 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.328 -0.083 25943 2716 1 7 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.120 0.340 25943 2717 1 7 . 1 1 39 39 LEU N N 39 120.950 120.950 124.697 -3.747 25943 2718 1 7 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.384 -0.494 25943 2719 1 7 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.388 -0.035 25943 2720 1 7 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.389 -0.011 25943 2721 1 7 . 1 1 39 39 LEU H H 39 7.503 7.503 8.236 -0.733 25943 2722 1 7 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.399 -0.049 25943 2723 1 7 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.629 -0.328 25943 2724 1 7 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.607 -0.359 25943 2725 1 7 . 1 1 41 41 ARG N N 41 127.030 127.030 125.967 1.063 25943 2726 1 7 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.969 -0.141 25943 2727 1 7 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.152 1.552 25943 2728 1 7 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.111 0.170 25943 2729 1 7 . 1 1 41 41 ARG H H 41 8.997 8.997 8.663 0.334 25943 2730 1 7 . 1 1 42 42 GLY N N 42 106.770 106.770 105.932 0.838 25943 2731 1 7 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.822 0.684 25943 2732 1 7 . 1 1 42 42 GLY H H 42 8.820 8.820 8.691 0.129 25943 2733 1 7 . 1 1 43 43 GLN N N 43 118.070 118.070 120.368 -2.298 25943 2734 1 7 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.069 -0.055 25943 2735 1 7 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.299 0.398 25943 2736 1 7 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.270 1.550 25943 2737 1 7 . 1 1 43 43 GLN H H 43 7.724 7.724 7.670 0.054 25943 2738 1 7 . 1 1 44 44 THR N N 44 115.670 115.670 114.437 1.233 25943 2739 1 7 . 1 1 44 44 THR HA H 44 4.220 4.220 3.962 0.258 25943 2740 1 7 . 1 1 44 44 THR CA C 44 67.781 67.781 65.603 2.178 25943 2741 1 7 . 1 1 44 44 THR CB C 44 67.781 67.781 68.676 -0.895 25943 2742 1 7 . 1 1 44 44 THR H H 44 7.641 7.641 7.525 0.116 25943 2743 1 7 . 1 1 45 45 GLU N N 45 119.340 119.340 119.825 -0.485 25943 2744 1 7 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.083 -0.333 25943 2745 1 7 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.768 1.061 25943 2746 1 7 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.205 0.120 25943 2747 1 7 . 1 1 45 45 GLU H H 45 8.412 8.412 7.862 0.550 25943 2748 1 7 . 1 1 46 46 LYS N N 46 115.700 115.700 119.123 -3.423 25943 2749 1 7 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.190 -0.018 25943 2750 1 7 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.610 0.227 25943 2751 1 7 . 1 1 46 46 LYS CB C 46 33.281 33.281 33.096 0.185 25943 2752 1 7 . 1 1 46 46 LYS H H 46 7.289 7.289 7.510 -0.221 25943 2753 1 7 . 1 1 47 47 ALA N N 47 121.880 121.880 122.986 -1.106 25943 2754 1 7 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.376 -0.089 25943 2755 1 7 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.185 0.916 25943 2756 1 7 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.432 0.244 25943 2757 1 7 . 1 1 47 47 ALA H H 47 7.072 7.072 7.717 -0.645 25943 2758 1 7 . 1 1 48 48 ASP N N 48 121.440 121.440 124.496 -3.056 25943 2759 1 7 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.632 0.031 25943 2760 1 7 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.429 -1.383 25943 2761 1 7 . 1 1 48 48 ASP CB C 48 39.703 39.703 41.958 -2.255 25943 2762 1 7 . 1 1 48 48 ASP H H 48 8.654 8.654 8.412 0.242 25943 2763 1 7 . 1 1 49 49 HIS N N 49 112.540 112.540 118.827 -6.287 25943 2764 1 7 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.122 -0.150 25943 2765 1 7 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.512 0.764 25943 2766 1 7 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.732 -0.991 25943 2767 1 7 . 1 1 49 49 HIS H H 49 8.316 8.316 8.442 -0.126 25943 2768 1 7 . 1 1 50 50 VAL N N 50 117.460 117.460 120.001 -2.541 25943 2769 1 7 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.763 -0.086 25943 2770 1 7 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.569 -0.745 25943 2771 1 7 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.427 0.376 25943 2772 1 7 . 1 1 50 50 VAL H H 50 7.610 7.610 8.051 -0.441 25943 2773 1 7 . 1 1 51 51 ASP N N 51 121.430 121.430 119.274 2.156 25943 2774 1 7 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.375 0.060 25943 2775 1 7 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.153 -0.561 25943 2776 1 7 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.717 -1.302 25943 2777 1 7 . 1 1 51 51 ASP H H 51 8.490 8.490 8.298 0.192 25943 2778 1 7 . 1 1 52 52 LEU N N 52 121.030 121.030 121.011 0.019 25943 2779 1 7 . 1 1 52 52 LEU HA H 52 3.967 3.967 4.018 -0.051 25943 2780 1 7 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.348 -0.671 25943 2781 1 7 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.440 0.268 25943 2782 1 7 . 1 1 52 52 LEU H H 52 8.649 8.649 8.503 0.146 25943 2783 1 7 . 1 1 53 53 ALA N N 53 120.440 120.440 118.926 1.514 25943 2784 1 7 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.013 -0.078 25943 2785 1 7 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.959 0.639 25943 2786 1 7 . 1 1 53 53 ALA CB C 53 18.094 18.094 17.985 0.109 25943 2787 1 7 . 1 1 53 53 ALA H H 53 7.423 7.423 7.728 -0.305 25943 2788 1 7 . 1 1 54 54 THR N N 54 113.210 113.210 116.308 -3.098 25943 2789 1 7 . 1 1 54 54 THR HA H 54 3.712 3.712 4.088 -0.376 25943 2790 1 7 . 1 1 54 54 THR CA C 54 66.864 66.864 67.016 -0.153 25943 2791 1 7 . 1 1 54 54 THR CB C 54 68.868 68.868 68.584 0.284 25943 2792 1 7 . 1 1 54 54 THR H H 54 7.683 7.683 7.554 0.129 25943 2793 1 7 . 1 1 55 55 LEU N N 55 122.800 122.800 122.065 0.735 25943 2794 1 7 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.094 0.080 25943 2795 1 7 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.051 0.352 25943 2796 1 7 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.322 1.716 25943 2797 1 7 . 1 1 55 55 LEU H H 55 8.314 8.314 8.263 0.051 25943 2798 1 7 . 1 1 56 56 MET N N 56 115.790 115.790 119.625 -3.835 25943 2799 1 7 . 1 1 56 56 MET HA H 56 3.831 3.831 4.125 -0.294 25943 2800 1 7 . 1 1 56 56 MET CA C 56 60.849 60.849 59.399 1.450 25943 2801 1 7 . 1 1 56 56 MET CB C 56 34.668 34.668 32.937 1.731 25943 2802 1 7 . 1 1 56 56 MET H H 56 8.379 8.379 7.760 0.619 25943 2803 1 7 . 1 1 57 57 ILE N N 57 120.370 120.370 119.508 0.862 25943 2804 1 7 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.763 -0.326 25943 2805 1 7 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.820 0.029 25943 2806 1 7 . 1 1 57 57 ILE CB C 57 38.352 38.352 38.138 0.214 25943 2807 1 7 . 1 1 57 57 ILE H H 57 8.007 8.007 8.019 -0.012 25943 2808 1 7 . 1 1 58 58 ASP N N 58 122.569 122.569 119.753 2.816 25943 2809 1 7 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.424 -0.077 25943 2810 1 7 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.353 -0.691 25943 2811 1 7 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.410 -3.501 25943 2812 1 7 . 1 1 58 58 ASP H H 58 9.271 9.271 8.144 1.127 25943 2813 1 7 . 1 1 59 59 PHE N N 59 114.340 114.340 119.030 -4.690 25943 2814 1 7 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.425 -0.201 25943 2815 1 7 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.511 0.865 25943 2816 1 7 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.893 0.637 25943 2817 1 7 . 1 1 59 59 PHE H H 59 8.025 8.025 8.010 0.015 25943 2818 1 7 . 1 1 60 60 ASN N N 60 112.830 112.830 115.381 -2.551 25943 2819 1 7 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.818 -0.686 25943 2820 1 7 . 1 1 60 60 ASN CA C 60 54.614 54.614 54.225 0.389 25943 2821 1 7 . 1 1 60 60 ASN CB C 60 42.960 42.960 41.009 1.951 25943 2822 1 7 . 1 1 60 60 ASN H H 60 7.601 7.601 7.882 -0.281 25943 2823 1 7 . 1 1 61 61 GLY N N 61 110.840 110.840 107.454 3.386 25943 2824 1 7 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.554 0.188 25943 2825 1 7 . 1 1 61 61 GLY H H 61 8.626 8.626 7.225 1.401 25943 2826 1 7 . 1 1 62 62 GLU N N 62 117.990 117.990 122.233 -4.243 25943 2827 1 7 . 1 1 62 62 GLU HA H 62 3.932 3.932 4.074 -0.142 25943 2828 1 7 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.511 2.228 25943 2829 1 7 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.615 0.633 25943 2830 1 7 . 1 1 62 62 GLU H H 62 8.841 8.841 8.929 -0.088 25943 2831 1 7 . 1 1 63 63 GLU N N 63 118.090 118.090 119.843 -1.753 25943 2832 1 7 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.149 -0.121 25943 2833 1 7 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.330 1.422 25943 2834 1 7 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.402 -1.078 25943 2835 1 7 . 1 1 63 63 GLU H H 63 8.535 8.535 8.589 -0.054 25943 2836 1 7 . 1 1 64 64 LYS N N 64 119.720 119.720 119.965 -0.245 25943 2837 1 7 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.155 -0.073 25943 2838 1 7 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.746 0.438 25943 2839 1 7 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.468 -0.709 25943 2840 1 7 . 1 1 64 64 LYS H H 64 9.107 9.107 8.137 0.970 25943 2841 1 7 . 1 1 65 65 ALA N N 65 120.030 120.030 122.362 -2.332 25943 2842 1 7 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.053 -0.135 25943 2843 1 7 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.252 0.682 25943 2844 1 7 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.140 1.449 25943 2845 1 7 . 1 1 65 65 ALA H H 65 8.179 8.179 8.082 0.097 25943 2846 1 7 . 1 1 66 66 TRP N N 66 116.210 116.210 118.865 -2.655 25943 2847 1 7 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.234 -0.260 25943 2848 1 7 . 1 1 66 66 TRP CA C 66 61.302 61.302 61.535 -0.233 25943 2849 1 7 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.173 -0.218 25943 2850 1 7 . 1 1 66 66 TRP H H 66 7.900 7.900 7.702 0.198 25943 2851 1 7 . 1 1 67 67 ALA N N 67 119.640 119.640 121.562 -1.922 25943 2852 1 7 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.002 0.029 25943 2853 1 7 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.028 0.584 25943 2854 1 7 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.179 -0.073 25943 2855 1 7 . 1 1 67 67 ALA H H 67 7.754 7.754 7.613 0.141 25943 2856 1 7 . 1 1 68 68 MET N N 68 118.260 118.260 117.481 0.779 25943 2857 1 7 . 1 1 68 68 MET HA H 68 4.262 4.262 4.128 0.135 25943 2858 1 7 . 1 1 68 68 MET CA C 68 58.647 58.647 58.978 -0.331 25943 2859 1 7 . 1 1 68 68 MET CB C 68 34.369 34.369 32.729 1.640 25943 2860 1 7 . 1 1 68 68 MET H H 68 8.500 8.500 8.185 0.315 25943 2861 1 7 . 1 1 69 69 ALA N N 69 120.358 120.358 122.828 -2.470 25943 2862 1 7 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.890 -0.317 25943 2863 1 7 . 1 1 69 69 ALA CA C 69 55.629 55.629 54.959 0.670 25943 2864 1 7 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.084 -0.371 25943 2865 1 7 . 1 1 69 69 ALA H H 69 7.922 7.922 8.343 -0.421 25943 2866 1 7 . 1 1 70 70 VAL N N 70 114.916 114.916 117.566 -2.650 25943 2867 1 7 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.536 -0.133 25943 2868 1 7 . 1 1 70 70 VAL CA C 70 67.934 67.934 66.067 1.867 25943 2869 1 7 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.553 0.735 25943 2870 1 7 . 1 1 70 70 VAL H H 70 8.202 8.202 7.457 0.745 25943 2871 1 7 . 1 1 71 71 TRP N N 71 118.400 118.400 121.427 -3.027 25943 2872 1 7 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.188 -0.051 25943 2873 1 7 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.373 0.889 25943 2874 1 7 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.573 -0.331 25943 2875 1 7 . 1 1 71 71 TRP H H 71 7.806 7.806 7.421 0.385 25943 2876 1 7 . 1 1 72 72 ILE N N 72 119.430 119.430 118.833 0.597 25943 2877 1 7 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.477 -0.355 25943 2878 1 7 . 1 1 72 72 ILE CA C 72 65.863 65.863 65.157 0.706 25943 2879 1 7 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.625 -0.955 25943 2880 1 7 . 1 1 72 72 ILE H H 72 8.654 8.654 7.883 0.771 25943 2881 1 7 . 1 1 73 73 PHE N N 73 118.760 118.760 119.307 -0.547 25943 2882 1 7 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.133 0.381 25943 2883 1 7 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.492 -0.338 25943 2884 1 7 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.194 0.127 25943 2885 1 7 . 1 1 73 73 PHE H H 73 9.015 9.015 6.913 2.102 25943 2886 1 7 . 1 1 74 74 ALA N N 74 118.190 118.190 120.049 -1.859 25943 2887 1 7 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.987 -0.326 25943 2888 1 7 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.539 0.623 25943 2889 1 7 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.607 -0.456 25943 2890 1 7 . 1 1 74 74 ALA H H 74 7.363 7.363 7.673 -0.310 25943 2891 1 7 . 1 1 75 75 ALA N N 75 122.920 122.920 122.882 0.038 25943 2892 1 7 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.819 -0.084 25943 2893 1 7 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.268 0.358 25943 2894 1 7 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.293 -0.716 25943 2895 1 7 . 1 1 75 75 ALA H H 75 7.640 7.640 7.137 0.503 25943 2896 1 7 . 1 1 76 76 ILE N N 76 108.850 108.850 113.657 -4.807 25943 2897 1 7 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.217 0.279 25943 2898 1 7 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.430 0.248 25943 2899 1 7 . 1 1 76 76 ILE CB C 76 37.392 37.392 37.642 -0.250 25943 2900 1 7 . 1 1 76 76 ILE H H 76 7.901 7.901 7.654 0.247 25943 2901 1 7 . 1 1 77 77 ASN N N 77 116.232 116.232 120.437 -4.205 25943 2902 1 7 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.292 -0.034 25943 2903 1 7 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.601 0.469 25943 2904 1 7 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.525 -0.607 25943 2905 1 7 . 1 1 77 77 ASN H H 77 7.865 7.865 7.642 0.223 25943 2906 1 7 . 1 1 78 78 ARG N N 78 118.810 118.810 121.495 -2.685 25943 2907 1 7 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.470 0.498 25943 2908 1 7 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.740 -4.817 25943 2909 1 7 . 1 1 78 78 ARG CB C 78 26.617 26.617 31.468 -4.851 25943 2910 1 7 . 1 1 78 78 ARG H H 78 8.325 8.325 8.119 0.206 25943 2911 1 7 . 1 1 79 79 ARG N N 79 122.270 122.270 120.325 1.945 25943 2912 1 7 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.043 -0.132 25943 2913 1 7 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.588 -0.394 25943 2914 1 7 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.545 0.013 25943 2915 1 7 . 1 1 79 79 ARG H H 79 8.171 8.171 8.325 -0.154 25943 2916 1 7 . 1 1 80 80 ASP N N 80 117.180 117.180 120.386 -3.206 25943 2917 1 7 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.440 -0.581 25943 2918 1 7 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.556 -0.391 25943 2919 1 7 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.564 -2.192 25943 2920 1 7 . 1 1 80 80 ASP H H 80 9.124 9.124 7.908 1.216 25943 2921 1 7 . 1 1 81 81 LEU N N 81 120.540 120.540 120.006 0.534 25943 2922 1 7 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.080 -0.241 25943 2923 1 7 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.098 -0.335 25943 2924 1 7 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.607 -1.318 25943 2925 1 7 . 1 1 81 81 LEU H H 81 7.267 7.267 8.283 -1.016 25943 2926 1 7 . 1 1 82 82 TYR N N 82 119.140 119.140 120.304 -1.164 25943 2927 1 7 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.354 -0.195 25943 2928 1 7 . 1 1 82 82 TYR CA C 82 62.239 62.239 60.801 1.438 25943 2929 1 7 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.221 0.470 25943 2930 1 7 . 1 1 82 82 TYR H H 82 8.041 8.041 8.138 -0.097 25943 2931 1 7 . 1 1 83 83 GLU N N 83 115.620 115.620 118.708 -3.088 25943 2932 1 7 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.659 0.037 25943 2933 1 7 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.332 -0.252 25943 2934 1 7 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.020 0.117 25943 2935 1 7 . 1 1 83 83 GLU H H 83 8.194 8.194 7.705 0.489 25943 2936 1 7 . 1 1 84 84 LYS N N 84 118.080 118.080 119.169 -1.089 25943 2937 1 7 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.167 -0.250 25943 2938 1 7 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.747 1.017 25943 2939 1 7 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.477 0.897 25943 2940 1 7 . 1 1 84 84 LYS H H 84 7.446 7.446 7.504 -0.058 25943 2941 1 7 . 1 1 85 85 ALA N N 85 120.470 120.470 122.972 -2.502 25943 2942 1 7 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.097 0.026 25943 2943 1 7 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.328 -0.218 25943 2944 1 7 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.626 -0.244 25943 2945 1 7 . 1 1 85 85 ALA H H 85 8.651 8.651 8.288 0.363 25943 2946 1 7 . 1 1 86 86 LYS N N 86 117.610 117.610 116.294 1.316 25943 2947 1 7 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.016 -0.006 25943 2948 1 7 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.780 0.389 25943 2949 1 7 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.247 -0.456 25943 2950 1 7 . 1 1 86 86 LYS H H 86 8.059 8.059 7.792 0.267 25943 2951 1 7 . 1 1 87 87 ARG N N 87 116.900 116.900 117.977 -1.077 25943 2952 1 7 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.171 -0.006 25943 2953 1 7 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.108 -0.408 25943 2954 1 7 . 1 1 87 87 ARG CB C 87 30.316 30.316 29.906 0.410 25943 2955 1 7 . 1 1 87 87 ARG H H 87 7.196 7.196 7.334 -0.138 25943 2956 1 7 . 1 1 88 88 ASP N N 88 119.290 119.290 117.704 1.586 25943 2957 1 7 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.684 0.010 25943 2958 1 7 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.492 -0.823 25943 2959 1 7 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.940 0.479 25943 2960 1 7 . 1 1 88 88 ASP H H 88 7.507 7.507 7.852 -0.345 25943 2961 1 7 . 1 1 89 89 GLU N N 89 119.970 119.970 122.582 -2.612 25943 2962 1 7 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.168 -0.764 25943 2963 1 7 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.787 -0.352 25943 2964 1 7 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.644 -1.423 25943 2965 1 7 . 1 1 89 89 GLU H H 89 7.337 7.337 7.611 -0.274 25943 2966 1 7 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.380 -0.174 25943 2967 1 7 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.792 0.464 25943 2968 1 7 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.312 -0.519 25943 2969 1 8 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.483 -0.327 25943 2970 1 8 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.884 -0.181 25943 2971 1 8 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.031 0.610 25943 2972 1 8 . 1 1 3 3 SER N N 3 115.850 115.850 117.483 -1.633 25943 2973 1 8 . 1 1 3 3 SER HA H 3 4.696 4.696 4.459 0.237 25943 2974 1 8 . 1 1 3 3 SER CA C 3 57.756 57.756 58.365 -0.609 25943 2975 1 8 . 1 1 3 3 SER CB C 3 64.325 64.325 64.769 -0.444 25943 2976 1 8 . 1 1 3 3 SER H H 3 8.757 8.757 8.551 0.206 25943 2977 1 8 . 1 1 4 4 THR N N 4 118.590 118.590 123.636 -5.046 25943 2978 1 8 . 1 1 4 4 THR HA H 4 4.213 4.213 4.375 -0.162 25943 2979 1 8 . 1 1 4 4 THR CA C 4 64.714 64.714 64.662 0.052 25943 2980 1 8 . 1 1 4 4 THR CB C 4 68.864 68.864 69.150 -0.286 25943 2981 1 8 . 1 1 4 4 THR H H 4 8.854 8.854 8.782 0.072 25943 2982 1 8 . 1 1 5 5 ARG N N 5 122.240 122.240 122.028 0.212 25943 2983 1 8 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.228 -0.259 25943 2984 1 8 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.666 -0.407 25943 2985 1 8 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.029 0.242 25943 2986 1 8 . 1 1 5 5 ARG H H 5 8.535 8.535 8.013 0.522 25943 2987 1 8 . 1 1 6 6 CYS N N 6 118.400 118.400 116.943 1.457 25943 2988 1 8 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.180 0.067 25943 2989 1 8 . 1 1 6 6 CYS CA C 6 61.224 61.224 63.593 -2.369 25943 2990 1 8 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.800 -0.597 25943 2991 1 8 . 1 1 6 6 CYS H H 6 8.174 8.174 8.070 0.104 25943 2992 1 8 . 1 1 7 7 LYS N N 7 123.084 123.084 120.429 2.655 25943 2993 1 8 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.087 -0.019 25943 2994 1 8 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.414 0.270 25943 2995 1 8 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.445 0.392 25943 2996 1 8 . 1 1 7 7 LYS H H 7 8.395 8.395 7.409 0.986 25943 2997 1 8 . 1 1 8 8 LEU N N 8 120.110 120.110 120.009 0.101 25943 2998 1 8 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.157 -0.183 25943 2999 1 8 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.802 0.436 25943 3000 1 8 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.978 -0.524 25943 3001 1 8 . 1 1 8 8 LEU H H 8 8.546 8.546 8.246 0.300 25943 3002 1 8 . 1 1 9 9 ALA N N 9 118.910 118.910 120.179 -1.269 25943 3003 1 8 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.050 -0.174 25943 3004 1 8 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.029 0.608 25943 3005 1 8 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.343 0.232 25943 3006 1 8 . 1 1 9 9 ALA H H 9 8.076 8.076 7.897 0.179 25943 3007 1 8 . 1 1 10 10 ARG N N 10 116.760 116.760 117.832 -1.072 25943 3008 1 8 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.074 -0.122 25943 3009 1 8 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.048 -0.338 25943 3010 1 8 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.004 -0.280 25943 3011 1 8 . 1 1 10 10 ARG H H 10 7.556 7.556 7.651 -0.095 25943 3012 1 8 . 1 1 11 11 TYR N N 11 117.102 117.102 119.072 -1.970 25943 3013 1 8 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.260 0.087 25943 3014 1 8 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.493 0.205 25943 3015 1 8 . 1 1 11 11 TYR CB C 11 38.308 38.308 37.978 0.330 25943 3016 1 8 . 1 1 11 11 TYR H H 11 7.510 7.510 7.353 0.157 25943 3017 1 8 . 1 1 12 12 LEU N N 12 116.791 116.791 117.668 -0.877 25943 3018 1 8 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.948 -0.051 25943 3019 1 8 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.534 0.042 25943 3020 1 8 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.999 -1.053 25943 3021 1 8 . 1 1 12 12 LEU H H 12 7.893 7.893 7.567 0.326 25943 3022 1 8 . 1 1 13 13 GLU N N 13 117.866 117.866 117.751 0.115 25943 3023 1 8 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.022 -0.774 25943 3024 1 8 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.300 -0.634 25943 3025 1 8 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.748 -1.495 25943 3026 1 8 . 1 1 13 13 GLU H H 13 7.975 7.975 7.664 0.311 25943 3027 1 8 . 1 1 14 14 ASP N N 14 116.190 116.190 117.277 -1.087 25943 3028 1 8 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.398 0.239 25943 3029 1 8 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.996 -0.861 25943 3030 1 8 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.790 -2.136 25943 3031 1 8 . 1 1 14 14 ASP H H 14 7.293 7.293 7.916 -0.623 25943 3032 1 8 . 1 1 15 15 LEU N N 15 119.530 119.530 119.059 0.471 25943 3033 1 8 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.337 -0.028 25943 3034 1 8 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.014 0.675 25943 3035 1 8 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.703 -0.773 25943 3036 1 8 . 1 1 15 15 LEU H H 15 7.301 7.301 7.092 0.209 25943 3037 1 8 . 1 1 16 16 GLU N N 16 121.840 121.840 119.664 2.176 25943 3038 1 8 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.209 0.307 25943 3039 1 8 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.311 -0.505 25943 3040 1 8 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.453 -1.221 25943 3041 1 8 . 1 1 16 16 GLU H H 16 8.837 8.837 8.344 0.493 25943 3042 1 8 . 1 1 17 17 ASP N N 17 122.070 122.070 121.886 0.184 25943 3043 1 8 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.302 0.047 25943 3044 1 8 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.857 0.911 25943 3045 1 8 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.807 -0.449 25943 3046 1 8 . 1 1 17 17 ASP H H 17 8.951 8.951 8.680 0.271 25943 3047 1 8 . 1 1 18 18 VAL N N 18 118.150 118.150 116.132 2.018 25943 3048 1 8 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.920 -0.061 25943 3049 1 8 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.471 0.516 25943 3050 1 8 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.412 0.131 25943 3051 1 8 . 1 1 18 18 VAL H H 18 8.613 8.613 7.685 0.928 25943 3052 1 8 . 1 1 19 19 ASP N N 19 120.600 120.600 119.411 1.189 25943 3053 1 8 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.542 0.164 25943 3054 1 8 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.759 0.061 25943 3055 1 8 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.511 1.347 25943 3056 1 8 . 1 1 19 19 ASP H H 19 7.358 7.358 8.117 -0.759 25943 3057 1 8 . 1 1 20 20 LEU N N 20 123.020 123.020 121.376 1.644 25943 3058 1 8 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.066 0.081 25943 3059 1 8 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.811 0.304 25943 3060 1 8 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.843 -0.924 25943 3061 1 8 . 1 1 20 20 LEU H H 20 8.635 8.635 8.204 0.431 25943 3062 1 8 . 1 1 21 21 LYS N N 21 119.120 119.120 118.841 0.279 25943 3063 1 8 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.996 0.036 25943 3064 1 8 . 1 1 21 21 LYS CA C 21 60.340 60.340 60.201 0.139 25943 3065 1 8 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.209 0.082 25943 3066 1 8 . 1 1 21 21 LYS H H 21 7.914 7.914 7.694 0.220 25943 3067 1 8 . 1 1 22 22 LYS N N 22 118.660 118.660 119.737 -1.077 25943 3068 1 8 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.068 0.112 25943 3069 1 8 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.855 1.324 25943 3070 1 8 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.033 1.582 25943 3071 1 8 . 1 1 22 22 LYS H H 22 7.715 7.715 7.570 0.145 25943 3072 1 8 . 1 1 23 23 PHE N N 23 123.360 123.360 121.651 1.709 25943 3073 1 8 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.424 -0.453 25943 3074 1 8 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.589 -0.199 25943 3075 1 8 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.363 1.090 25943 3076 1 8 . 1 1 23 23 PHE H H 23 9.148 9.148 8.249 0.899 25943 3077 1 8 . 1 1 24 24 LYS N N 24 117.660 117.660 119.513 -1.853 25943 3078 1 8 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.048 -0.273 25943 3079 1 8 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.691 1.524 25943 3080 1 8 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.400 0.907 25943 3081 1 8 . 1 1 24 24 LYS H H 24 8.750 8.750 7.715 1.035 25943 3082 1 8 . 1 1 25 25 MET N N 25 118.140 118.140 120.004 -1.864 25943 3083 1 8 . 1 1 25 25 MET HA H 25 3.955 3.955 4.045 -0.090 25943 3084 1 8 . 1 1 25 25 MET CA C 25 59.261 59.261 58.933 0.328 25943 3085 1 8 . 1 1 25 25 MET CB C 25 32.276 32.276 32.539 -0.263 25943 3086 1 8 . 1 1 25 25 MET H H 25 8.005 8.005 7.908 0.097 25943 3087 1 8 . 1 1 26 26 HIS N N 26 114.610 114.610 118.062 -3.452 25943 3088 1 8 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.563 -0.242 25943 3089 1 8 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.387 -0.179 25943 3090 1 8 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.823 -0.251 25943 3091 1 8 . 1 1 26 26 HIS H H 26 7.779 7.779 7.976 -0.197 25943 3092 1 8 . 1 1 27 27 LEU N N 27 119.460 119.460 118.809 0.651 25943 3093 1 8 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.107 -0.106 25943 3094 1 8 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.174 0.572 25943 3095 1 8 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.024 0.882 25943 3096 1 8 . 1 1 27 27 LEU H H 27 7.954 7.954 7.855 0.099 25943 3097 1 8 . 1 1 28 28 GLU N N 28 116.810 116.810 118.924 -2.114 25943 3098 1 8 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.129 0.174 25943 3099 1 8 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.583 -1.343 25943 3100 1 8 . 1 1 28 28 GLU CB C 28 28.501 28.501 30.022 -1.521 25943 3101 1 8 . 1 1 28 28 GLU H H 28 7.870 7.870 8.009 -0.139 25943 3102 1 8 . 1 1 29 29 ASP N N 29 116.732 116.732 119.626 -2.894 25943 3103 1 8 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.699 0.169 25943 3104 1 8 . 1 1 29 29 ASP CA C 29 52.127 52.127 52.225 -0.098 25943 3105 1 8 . 1 1 29 29 ASP CB C 29 38.930 38.930 38.975 -0.045 25943 3106 1 8 . 1 1 29 29 ASP H H 29 7.548 7.548 7.796 -0.248 25943 3107 1 8 . 1 1 30 30 TYR N N 30 125.460 125.460 122.726 2.734 25943 3108 1 8 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.360 -0.026 25943 3109 1 8 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.817 1.933 25943 3110 1 8 . 1 1 30 30 TYR CB C 30 39.049 39.049 39.050 -0.001 25943 3111 1 8 . 1 1 30 30 TYR H H 30 6.837 6.837 7.439 -0.602 25943 3112 1 8 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.624 -0.091 25943 3113 1 8 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.889 0.433 25943 3114 1 8 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.518 -1.189 25943 3115 1 8 . 1 1 33 33 GLN N N 33 120.060 120.060 121.381 -1.321 25943 3116 1 8 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.267 0.020 25943 3117 1 8 . 1 1 33 33 GLN CA C 33 56.012 56.012 57.328 -1.315 25943 3118 1 8 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.132 0.598 25943 3119 1 8 . 1 1 33 33 GLN H H 33 8.453 8.453 8.858 -0.405 25943 3120 1 8 . 1 1 34 34 LYS N N 34 121.020 121.020 115.959 5.061 25943 3121 1 8 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.502 -0.375 25943 3122 1 8 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.368 0.880 25943 3123 1 8 . 1 1 34 34 LYS CB C 34 31.837 31.837 33.299 -1.462 25943 3124 1 8 . 1 1 34 34 LYS H H 34 8.376 8.376 8.288 0.088 25943 3125 1 8 . 1 1 35 35 GLY N N 35 110.370 110.370 109.178 1.192 25943 3126 1 8 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.015 0.984 25943 3127 1 8 . 1 1 35 35 GLY H H 35 8.630 8.630 8.835 -0.205 25943 3128 1 8 . 1 1 36 36 CYS N N 36 117.850 117.850 118.839 -0.989 25943 3129 1 8 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.698 -0.014 25943 3130 1 8 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.494 -0.002 25943 3131 1 8 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.716 1.202 25943 3132 1 8 . 1 1 36 36 CYS H H 36 7.855 7.855 8.258 -0.403 25943 3133 1 8 . 1 1 37 37 ILE N N 37 125.540 125.540 128.120 -2.580 25943 3134 1 8 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.238 0.366 25943 3135 1 8 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.707 -1.464 25943 3136 1 8 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.361 0.967 25943 3137 1 8 . 1 1 37 37 ILE H H 37 9.362 9.362 8.417 0.945 25943 3138 1 8 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.500 -0.150 25943 3139 1 8 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.565 -0.320 25943 3140 1 8 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.217 0.243 25943 3141 1 8 . 1 1 39 39 LEU N N 39 120.950 120.950 125.032 -4.082 25943 3142 1 8 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.469 -0.579 25943 3143 1 8 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.263 0.090 25943 3144 1 8 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.920 -0.543 25943 3145 1 8 . 1 1 39 39 LEU H H 39 7.503 7.503 8.159 -0.656 25943 3146 1 8 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.442 -0.092 25943 3147 1 8 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.500 -0.199 25943 3148 1 8 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.540 -0.292 25943 3149 1 8 . 1 1 41 41 ARG N N 41 127.030 127.030 123.671 3.359 25943 3150 1 8 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.136 -0.308 25943 3151 1 8 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.095 1.609 25943 3152 1 8 . 1 1 41 41 ARG CB C 41 30.281 30.281 29.778 0.503 25943 3153 1 8 . 1 1 41 41 ARG H H 41 8.997 8.997 8.635 0.362 25943 3154 1 8 . 1 1 42 42 GLY N N 42 106.770 106.770 106.242 0.528 25943 3155 1 8 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.643 0.862 25943 3156 1 8 . 1 1 42 42 GLY H H 42 8.820 8.820 8.766 0.054 25943 3157 1 8 . 1 1 43 43 GLN N N 43 118.070 118.070 120.446 -2.376 25943 3158 1 8 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.190 -0.176 25943 3159 1 8 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.540 0.157 25943 3160 1 8 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.338 1.482 25943 3161 1 8 . 1 1 43 43 GLN H H 43 7.724 7.724 7.651 0.073 25943 3162 1 8 . 1 1 44 44 THR N N 44 115.670 115.670 113.511 2.159 25943 3163 1 8 . 1 1 44 44 THR HA H 44 4.220 4.220 4.055 0.165 25943 3164 1 8 . 1 1 44 44 THR CA C 44 67.781 67.781 65.858 1.923 25943 3165 1 8 . 1 1 44 44 THR CB C 44 67.781 67.781 68.438 -0.657 25943 3166 1 8 . 1 1 44 44 THR H H 44 7.641 7.641 7.523 0.118 25943 3167 1 8 . 1 1 45 45 GLU N N 45 119.340 119.340 119.856 -0.516 25943 3168 1 8 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.147 -0.397 25943 3169 1 8 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.476 1.353 25943 3170 1 8 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.243 0.082 25943 3171 1 8 . 1 1 45 45 GLU H H 45 8.412 8.412 8.064 0.348 25943 3172 1 8 . 1 1 46 46 LYS N N 46 115.700 115.700 117.998 -2.298 25943 3173 1 8 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.226 -0.054 25943 3174 1 8 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.594 0.243 25943 3175 1 8 . 1 1 46 46 LYS CB C 46 33.281 33.281 33.158 0.123 25943 3176 1 8 . 1 1 46 46 LYS H H 46 7.289 7.289 7.668 -0.379 25943 3177 1 8 . 1 1 47 47 ALA N N 47 121.880 121.880 123.272 -1.392 25943 3178 1 8 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.291 -0.004 25943 3179 1 8 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.498 0.603 25943 3180 1 8 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.680 -0.004 25943 3181 1 8 . 1 1 47 47 ALA H H 47 7.072 7.072 7.559 -0.487 25943 3182 1 8 . 1 1 48 48 ASP N N 48 121.440 121.440 123.728 -2.288 25943 3183 1 8 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.583 0.080 25943 3184 1 8 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.868 -1.822 25943 3185 1 8 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.672 -2.969 25943 3186 1 8 . 1 1 48 48 ASP H H 48 8.654 8.654 8.410 0.244 25943 3187 1 8 . 1 1 49 49 HIS N N 49 112.540 112.540 119.311 -6.771 25943 3188 1 8 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.210 -0.238 25943 3189 1 8 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.923 0.353 25943 3190 1 8 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.366 -0.625 25943 3191 1 8 . 1 1 49 49 HIS H H 49 8.316 8.316 8.622 -0.306 25943 3192 1 8 . 1 1 50 50 VAL N N 50 117.460 117.460 119.490 -2.030 25943 3193 1 8 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.756 -0.079 25943 3194 1 8 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.136 -0.313 25943 3195 1 8 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.848 -0.045 25943 3196 1 8 . 1 1 50 50 VAL H H 50 7.610 7.610 8.033 -0.423 25943 3197 1 8 . 1 1 51 51 ASP N N 51 121.430 121.430 119.443 1.987 25943 3198 1 8 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.388 0.047 25943 3199 1 8 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.137 -0.545 25943 3200 1 8 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.675 -1.260 25943 3201 1 8 . 1 1 51 51 ASP H H 51 8.490 8.490 8.230 0.260 25943 3202 1 8 . 1 1 52 52 LEU N N 52 121.030 121.030 120.393 0.637 25943 3203 1 8 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.977 -0.010 25943 3204 1 8 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.052 -0.375 25943 3205 1 8 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.946 -0.238 25943 3206 1 8 . 1 1 52 52 LEU H H 52 8.649 8.649 8.629 0.020 25943 3207 1 8 . 1 1 53 53 ALA N N 53 120.440 120.440 119.526 0.914 25943 3208 1 8 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.044 -0.109 25943 3209 1 8 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.172 0.426 25943 3210 1 8 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.260 -0.166 25943 3211 1 8 . 1 1 53 53 ALA H H 53 7.423 7.423 7.724 -0.301 25943 3212 1 8 . 1 1 54 54 THR N N 54 113.210 113.210 116.352 -3.142 25943 3213 1 8 . 1 1 54 54 THR HA H 54 3.712 3.712 4.166 -0.454 25943 3214 1 8 . 1 1 54 54 THR CA C 54 66.864 66.864 67.284 -0.420 25943 3215 1 8 . 1 1 54 54 THR CB C 54 68.868 68.868 68.639 0.229 25943 3216 1 8 . 1 1 54 54 THR H H 54 7.683 7.683 7.652 0.031 25943 3217 1 8 . 1 1 55 55 LEU N N 55 122.800 122.800 122.264 0.536 25943 3218 1 8 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.153 0.021 25943 3219 1 8 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.172 0.231 25943 3220 1 8 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.586 1.452 25943 3221 1 8 . 1 1 55 55 LEU H H 55 8.314 8.314 8.183 0.131 25943 3222 1 8 . 1 1 56 56 MET N N 56 115.790 115.790 118.106 -2.316 25943 3223 1 8 . 1 1 56 56 MET HA H 56 3.831 3.831 4.249 -0.418 25943 3224 1 8 . 1 1 56 56 MET CA C 56 60.849 60.849 58.023 2.826 25943 3225 1 8 . 1 1 56 56 MET CB C 56 34.668 34.668 32.143 2.525 25943 3226 1 8 . 1 1 56 56 MET H H 56 8.379 8.379 7.780 0.599 25943 3227 1 8 . 1 1 57 57 ILE N N 57 120.370 120.370 120.364 0.006 25943 3228 1 8 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.812 -0.375 25943 3229 1 8 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.604 0.246 25943 3230 1 8 . 1 1 57 57 ILE CB C 57 38.352 38.352 38.016 0.336 25943 3231 1 8 . 1 1 57 57 ILE H H 57 8.007 8.007 7.835 0.172 25943 3232 1 8 . 1 1 58 58 ASP N N 58 122.569 122.569 119.800 2.769 25943 3233 1 8 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.460 -0.113 25943 3234 1 8 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.513 -0.851 25943 3235 1 8 . 1 1 58 58 ASP CB C 58 37.910 37.910 40.834 -2.924 25943 3236 1 8 . 1 1 58 58 ASP H H 58 9.271 9.271 8.022 1.249 25943 3237 1 8 . 1 1 59 59 PHE N N 59 114.340 114.340 118.655 -4.315 25943 3238 1 8 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.403 -0.179 25943 3239 1 8 . 1 1 59 59 PHE CA C 59 61.376 61.376 61.188 0.188 25943 3240 1 8 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.777 0.753 25943 3241 1 8 . 1 1 59 59 PHE H H 59 8.025 8.025 8.166 -0.141 25943 3242 1 8 . 1 1 60 60 ASN N N 60 112.830 112.830 115.234 -2.404 25943 3243 1 8 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.824 -0.692 25943 3244 1 8 . 1 1 60 60 ASN CA C 60 54.614 54.614 54.096 0.518 25943 3245 1 8 . 1 1 60 60 ASN CB C 60 42.960 42.960 41.665 1.295 25943 3246 1 8 . 1 1 60 60 ASN H H 60 7.601 7.601 7.821 -0.220 25943 3247 1 8 . 1 1 61 61 GLY N N 61 110.840 110.840 107.317 3.523 25943 3248 1 8 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.438 0.305 25943 3249 1 8 . 1 1 61 61 GLY H H 61 8.626 8.626 7.258 1.368 25943 3250 1 8 . 1 1 62 62 GLU N N 62 117.990 117.990 120.915 -2.925 25943 3251 1 8 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.854 0.078 25943 3252 1 8 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.118 2.621 25943 3253 1 8 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.517 0.731 25943 3254 1 8 . 1 1 62 62 GLU H H 62 8.841 8.841 8.798 0.043 25943 3255 1 8 . 1 1 63 63 GLU N N 63 118.090 118.090 119.420 -1.330 25943 3256 1 8 . 1 1 63 63 GLU HA H 63 4.028 4.028 3.786 0.242 25943 3257 1 8 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.141 1.611 25943 3258 1 8 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.187 -0.863 25943 3259 1 8 . 1 1 63 63 GLU H H 63 8.535 8.535 8.357 0.178 25943 3260 1 8 . 1 1 64 64 LYS N N 64 119.720 119.720 119.774 -0.054 25943 3261 1 8 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.128 -0.046 25943 3262 1 8 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.870 0.314 25943 3263 1 8 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.361 -0.603 25943 3264 1 8 . 1 1 64 64 LYS H H 64 9.107 9.107 8.174 0.933 25943 3265 1 8 . 1 1 65 65 ALA N N 65 120.030 120.030 122.077 -2.047 25943 3266 1 8 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.192 -0.274 25943 3267 1 8 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.240 0.694 25943 3268 1 8 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.295 1.294 25943 3269 1 8 . 1 1 65 65 ALA H H 65 8.179 8.179 8.015 0.164 25943 3270 1 8 . 1 1 66 66 TRP N N 66 116.210 116.210 119.463 -3.253 25943 3271 1 8 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.323 -0.349 25943 3272 1 8 . 1 1 66 66 TRP CA C 66 61.302 61.302 59.540 1.762 25943 3273 1 8 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.458 0.497 25943 3274 1 8 . 1 1 66 66 TRP H H 66 7.900 7.900 7.764 0.136 25943 3275 1 8 . 1 1 67 67 ALA N N 67 119.640 119.640 122.251 -2.611 25943 3276 1 8 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.082 -0.051 25943 3277 1 8 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.074 0.538 25943 3278 1 8 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.170 -0.064 25943 3279 1 8 . 1 1 67 67 ALA H H 67 7.754 7.754 7.633 0.121 25943 3280 1 8 . 1 1 68 68 MET N N 68 118.260 118.260 117.894 0.366 25943 3281 1 8 . 1 1 68 68 MET HA H 68 4.262 4.262 4.286 -0.024 25943 3282 1 8 . 1 1 68 68 MET CA C 68 58.647 58.647 59.093 -0.446 25943 3283 1 8 . 1 1 68 68 MET CB C 68 34.369 34.369 32.858 1.512 25943 3284 1 8 . 1 1 68 68 MET H H 68 8.500 8.500 8.228 0.272 25943 3285 1 8 . 1 1 69 69 ALA N N 69 120.358 120.358 122.920 -2.562 25943 3286 1 8 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.228 -0.655 25943 3287 1 8 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.337 0.292 25943 3288 1 8 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.104 -0.391 25943 3289 1 8 . 1 1 69 69 ALA H H 69 7.922 7.922 8.551 -0.629 25943 3290 1 8 . 1 1 70 70 VAL N N 70 114.916 114.916 117.464 -2.548 25943 3291 1 8 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.397 0.006 25943 3292 1 8 . 1 1 70 70 VAL CA C 70 67.934 67.934 66.050 1.884 25943 3293 1 8 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.462 0.826 25943 3294 1 8 . 1 1 70 70 VAL H H 70 8.202 8.202 7.807 0.395 25943 3295 1 8 . 1 1 71 71 TRP N N 71 118.400 118.400 121.765 -3.365 25943 3296 1 8 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.282 -0.145 25943 3297 1 8 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.579 0.683 25943 3298 1 8 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.878 -0.636 25943 3299 1 8 . 1 1 71 71 TRP H H 71 7.806 7.806 7.992 -0.186 25943 3300 1 8 . 1 1 72 72 ILE N N 72 119.430 119.430 119.285 0.145 25943 3301 1 8 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.675 -0.553 25943 3302 1 8 . 1 1 72 72 ILE CA C 72 65.863 65.863 65.106 0.757 25943 3303 1 8 . 1 1 72 72 ILE CB C 72 36.670 36.670 38.070 -1.400 25943 3304 1 8 . 1 1 72 72 ILE H H 72 8.654 8.654 8.438 0.216 25943 3305 1 8 . 1 1 73 73 PHE N N 73 118.760 118.760 119.606 -0.846 25943 3306 1 8 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.082 0.432 25943 3307 1 8 . 1 1 73 73 PHE CA C 73 59.154 59.154 60.255 -1.101 25943 3308 1 8 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.946 -0.625 25943 3309 1 8 . 1 1 73 73 PHE H H 73 9.015 9.015 7.766 1.249 25943 3310 1 8 . 1 1 74 74 ALA N N 74 118.190 118.190 119.355 -1.165 25943 3311 1 8 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.968 -0.307 25943 3312 1 8 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.358 0.804 25943 3313 1 8 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.981 -0.830 25943 3314 1 8 . 1 1 74 74 ALA H H 74 7.363 7.363 7.601 -0.238 25943 3315 1 8 . 1 1 75 75 ALA N N 75 122.920 122.920 122.887 0.033 25943 3316 1 8 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.876 -0.141 25943 3317 1 8 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.338 0.288 25943 3318 1 8 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.335 -0.759 25943 3319 1 8 . 1 1 75 75 ALA H H 75 7.640 7.640 7.172 0.468 25943 3320 1 8 . 1 1 76 76 ILE N N 76 108.850 108.850 111.682 -2.832 25943 3321 1 8 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.133 0.363 25943 3322 1 8 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.622 0.056 25943 3323 1 8 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.800 0.592 25943 3324 1 8 . 1 1 76 76 ILE H H 76 7.901 7.901 7.334 0.567 25943 3325 1 8 . 1 1 77 77 ASN N N 77 116.232 116.232 118.720 -2.488 25943 3326 1 8 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.359 -0.101 25943 3327 1 8 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.267 0.803 25943 3328 1 8 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.239 -0.321 25943 3329 1 8 . 1 1 77 77 ASN H H 77 7.865 7.865 7.606 0.259 25943 3330 1 8 . 1 1 78 78 ARG N N 78 118.810 118.810 120.784 -1.974 25943 3331 1 8 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.416 0.552 25943 3332 1 8 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.377 -4.454 25943 3333 1 8 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.956 -4.339 25943 3334 1 8 . 1 1 78 78 ARG H H 78 8.325 8.325 8.107 0.218 25943 3335 1 8 . 1 1 79 79 ARG N N 79 122.270 122.270 121.715 0.555 25943 3336 1 8 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.055 -0.144 25943 3337 1 8 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.121 0.073 25943 3338 1 8 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.090 0.468 25943 3339 1 8 . 1 1 79 79 ARG H H 79 8.171 8.171 8.539 -0.368 25943 3340 1 8 . 1 1 80 80 ASP N N 80 117.180 117.180 119.068 -1.888 25943 3341 1 8 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.484 -0.625 25943 3342 1 8 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.869 -0.704 25943 3343 1 8 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.737 -2.365 25943 3344 1 8 . 1 1 80 80 ASP H H 80 9.124 9.124 8.555 0.569 25943 3345 1 8 . 1 1 81 81 LEU N N 81 120.540 120.540 120.732 -0.192 25943 3346 1 8 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.053 -0.214 25943 3347 1 8 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.114 -0.351 25943 3348 1 8 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.766 -1.477 25943 3349 1 8 . 1 1 81 81 LEU H H 81 7.267 7.267 7.912 -0.645 25943 3350 1 8 . 1 1 82 82 TYR N N 82 119.140 119.140 119.626 -0.486 25943 3351 1 8 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.238 -0.079 25943 3352 1 8 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.017 1.222 25943 3353 1 8 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.106 0.585 25943 3354 1 8 . 1 1 82 82 TYR H H 82 8.041 8.041 8.937 -0.896 25943 3355 1 8 . 1 1 83 83 GLU N N 83 115.620 115.620 119.471 -3.851 25943 3356 1 8 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.510 0.186 25943 3357 1 8 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.388 -0.308 25943 3358 1 8 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.220 -0.083 25943 3359 1 8 . 1 1 83 83 GLU H H 83 8.194 8.194 7.884 0.310 25943 3360 1 8 . 1 1 84 84 LYS N N 84 118.080 118.080 118.437 -0.357 25943 3361 1 8 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.075 -0.159 25943 3362 1 8 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.831 0.933 25943 3363 1 8 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.501 0.873 25943 3364 1 8 . 1 1 84 84 LYS H H 84 7.446 7.446 7.421 0.025 25943 3365 1 8 . 1 1 85 85 ALA N N 85 120.470 120.470 122.332 -1.862 25943 3366 1 8 . 1 1 85 85 ALA HA H 85 4.123 4.123 3.892 0.231 25943 3367 1 8 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.972 0.138 25943 3368 1 8 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.166 0.215 25943 3369 1 8 . 1 1 85 85 ALA H H 85 8.651 8.651 8.146 0.505 25943 3370 1 8 . 1 1 86 86 LYS N N 86 117.610 117.610 117.882 -0.272 25943 3371 1 8 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.932 0.078 25943 3372 1 8 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.571 0.598 25943 3373 1 8 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.414 -0.623 25943 3374 1 8 . 1 1 86 86 LYS H H 86 8.059 8.059 7.919 0.140 25943 3375 1 8 . 1 1 87 87 ARG N N 87 116.900 116.900 117.676 -0.776 25943 3376 1 8 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.137 0.028 25943 3377 1 8 . 1 1 87 87 ARG CA C 87 57.700 57.700 57.909 -0.209 25943 3378 1 8 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.111 0.205 25943 3379 1 8 . 1 1 87 87 ARG H H 87 7.196 7.196 7.537 -0.341 25943 3380 1 8 . 1 1 88 88 ASP N N 88 119.290 119.290 117.764 1.526 25943 3381 1 8 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.586 0.108 25943 3382 1 8 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.203 -0.534 25943 3383 1 8 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.608 0.811 25943 3384 1 8 . 1 1 88 88 ASP H H 88 7.507 7.507 7.392 0.115 25943 3385 1 8 . 1 1 89 89 GLU N N 89 119.970 119.970 121.460 -1.490 25943 3386 1 8 . 1 1 89 89 GLU HA H 89 3.404 3.404 3.938 -0.534 25943 3387 1 8 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.641 -0.205 25943 3388 1 8 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.843 -1.622 25943 3389 1 8 . 1 1 89 89 GLU H H 89 7.337 7.337 7.362 -0.025 25943 3390 1 8 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.469 -0.263 25943 3391 1 8 . 1 1 90 90 PRO CA C 90 63.256 63.256 63.108 0.148 25943 3392 1 8 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.346 -0.553 25943 3393 1 9 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.615 -0.459 25943 3394 1 9 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.778 -0.075 25943 3395 1 9 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.982 -0.341 25943 3396 1 9 . 1 1 3 3 SER N N 3 115.850 115.850 117.634 -1.784 25943 3397 1 9 . 1 1 3 3 SER HA H 3 4.696 4.696 4.507 0.189 25943 3398 1 9 . 1 1 3 3 SER CA C 3 57.756 57.756 58.099 -0.343 25943 3399 1 9 . 1 1 3 3 SER CB C 3 64.325 64.325 64.405 -0.080 25943 3400 1 9 . 1 1 3 3 SER H H 3 8.757 8.757 8.309 0.448 25943 3401 1 9 . 1 1 4 4 THR N N 4 118.590 118.590 123.168 -4.578 25943 3402 1 9 . 1 1 4 4 THR HA H 4 4.213 4.213 4.259 -0.046 25943 3403 1 9 . 1 1 4 4 THR CA C 4 64.714 64.714 64.155 0.559 25943 3404 1 9 . 1 1 4 4 THR CB C 4 68.864 68.864 69.094 -0.230 25943 3405 1 9 . 1 1 4 4 THR H H 4 8.854 8.854 8.783 0.071 25943 3406 1 9 . 1 1 5 5 ARG N N 5 122.240 122.240 123.007 -0.767 25943 3407 1 9 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.123 -0.154 25943 3408 1 9 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.021 -0.762 25943 3409 1 9 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.159 0.112 25943 3410 1 9 . 1 1 5 5 ARG H H 5 8.535 8.535 8.017 0.518 25943 3411 1 9 . 1 1 6 6 CYS N N 6 118.400 118.400 115.197 3.203 25943 3412 1 9 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.354 -0.107 25943 3413 1 9 . 1 1 6 6 CYS CA C 6 61.224 61.224 61.242 -0.019 25943 3414 1 9 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.401 0.802 25943 3415 1 9 . 1 1 6 6 CYS H H 6 8.174 8.174 8.532 -0.358 25943 3416 1 9 . 1 1 7 7 LYS N N 7 123.084 123.084 122.173 0.911 25943 3417 1 9 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.164 -0.096 25943 3418 1 9 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.106 0.577 25943 3419 1 9 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.256 0.581 25943 3420 1 9 . 1 1 7 7 LYS H H 7 8.395 8.395 7.315 1.080 25943 3421 1 9 . 1 1 8 8 LEU N N 8 120.110 120.110 119.606 0.504 25943 3422 1 9 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.204 -0.230 25943 3423 1 9 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.922 0.316 25943 3424 1 9 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.986 -0.532 25943 3425 1 9 . 1 1 8 8 LEU H H 8 8.546 8.546 8.409 0.137 25943 3426 1 9 . 1 1 9 9 ALA N N 9 118.910 118.910 121.046 -2.136 25943 3427 1 9 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.018 -0.142 25943 3428 1 9 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.099 0.538 25943 3429 1 9 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.301 0.274 25943 3430 1 9 . 1 1 9 9 ALA H H 9 8.076 8.076 7.689 0.387 25943 3431 1 9 . 1 1 10 10 ARG N N 10 116.760 116.760 118.720 -1.960 25943 3432 1 9 . 1 1 10 10 ARG HA H 10 3.952 3.952 3.925 0.027 25943 3433 1 9 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.632 -0.922 25943 3434 1 9 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.135 -0.411 25943 3435 1 9 . 1 1 10 10 ARG H H 10 7.556 7.556 7.740 -0.184 25943 3436 1 9 . 1 1 11 11 TYR N N 11 117.102 117.102 117.867 -0.765 25943 3437 1 9 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.206 0.141 25943 3438 1 9 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.436 0.262 25943 3439 1 9 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.415 -0.107 25943 3440 1 9 . 1 1 11 11 TYR H H 11 7.510 7.510 7.340 0.170 25943 3441 1 9 . 1 1 12 12 LEU N N 12 116.791 116.791 117.115 -0.324 25943 3442 1 9 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.862 0.035 25943 3443 1 9 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.230 0.346 25943 3444 1 9 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.287 -0.341 25943 3445 1 9 . 1 1 12 12 LEU H H 12 7.893 7.893 7.478 0.415 25943 3446 1 9 . 1 1 13 13 GLU N N 13 117.866 117.866 117.231 0.635 25943 3447 1 9 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.067 -0.819 25943 3448 1 9 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.874 -0.208 25943 3449 1 9 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.290 -1.037 25943 3450 1 9 . 1 1 13 13 GLU H H 13 7.975 7.975 8.035 -0.060 25943 3451 1 9 . 1 1 14 14 ASP N N 14 116.190 116.190 117.209 -1.019 25943 3452 1 9 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.453 0.184 25943 3453 1 9 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.817 -0.682 25943 3454 1 9 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.878 -2.224 25943 3455 1 9 . 1 1 14 14 ASP H H 14 7.293 7.293 7.750 -0.457 25943 3456 1 9 . 1 1 15 15 LEU N N 15 119.530 119.530 118.527 1.003 25943 3457 1 9 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.407 -0.098 25943 3458 1 9 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.593 1.096 25943 3459 1 9 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.914 -0.984 25943 3460 1 9 . 1 1 15 15 LEU H H 15 7.301 7.301 7.147 0.154 25943 3461 1 9 . 1 1 16 16 GLU N N 16 121.840 121.840 120.585 1.255 25943 3462 1 9 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.079 0.437 25943 3463 1 9 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.312 -0.506 25943 3464 1 9 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.103 -1.871 25943 3465 1 9 . 1 1 16 16 GLU H H 16 8.837 8.837 8.340 0.497 25943 3466 1 9 . 1 1 17 17 ASP N N 17 122.070 122.070 122.900 -0.830 25943 3467 1 9 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.339 0.010 25943 3468 1 9 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.816 0.952 25943 3469 1 9 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.360 -0.002 25943 3470 1 9 . 1 1 17 17 ASP H H 17 8.951 8.951 8.714 0.237 25943 3471 1 9 . 1 1 18 18 VAL N N 18 118.150 118.150 119.438 -1.288 25943 3472 1 9 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.848 0.011 25943 3473 1 9 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.781 0.205 25943 3474 1 9 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.518 0.025 25943 3475 1 9 . 1 1 18 18 VAL H H 18 8.613 8.613 7.903 0.710 25943 3476 1 9 . 1 1 19 19 ASP N N 19 120.600 120.600 119.398 1.202 25943 3477 1 9 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.430 0.276 25943 3478 1 9 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.150 -0.330 25943 3479 1 9 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.128 1.730 25943 3480 1 9 . 1 1 19 19 ASP H H 19 7.358 7.358 8.208 -0.850 25943 3481 1 9 . 1 1 20 20 LEU N N 20 123.020 123.020 121.125 1.895 25943 3482 1 9 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.092 0.055 25943 3483 1 9 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.607 0.508 25943 3484 1 9 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.941 -1.022 25943 3485 1 9 . 1 1 20 20 LEU H H 20 8.635 8.635 8.135 0.500 25943 3486 1 9 . 1 1 21 21 LYS N N 21 119.120 119.120 119.337 -0.217 25943 3487 1 9 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.024 0.008 25943 3488 1 9 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.561 0.779 25943 3489 1 9 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.151 0.140 25943 3490 1 9 . 1 1 21 21 LYS H H 21 7.914 7.914 7.541 0.373 25943 3491 1 9 . 1 1 22 22 LYS N N 22 118.660 118.660 118.117 0.543 25943 3492 1 9 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.095 0.085 25943 3493 1 9 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.467 1.712 25943 3494 1 9 . 1 1 22 22 LYS CB C 22 33.615 33.615 31.845 1.770 25943 3495 1 9 . 1 1 22 22 LYS H H 22 7.715 7.715 7.433 0.282 25943 3496 1 9 . 1 1 23 23 PHE N N 23 123.360 123.360 121.081 2.279 25943 3497 1 9 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.142 -0.171 25943 3498 1 9 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.313 0.077 25943 3499 1 9 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.245 1.208 25943 3500 1 9 . 1 1 23 23 PHE H H 23 9.148 9.148 7.650 1.498 25943 3501 1 9 . 1 1 24 24 LYS N N 24 117.660 117.660 120.202 -2.542 25943 3502 1 9 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.101 -0.326 25943 3503 1 9 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.714 1.501 25943 3504 1 9 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.488 0.819 25943 3505 1 9 . 1 1 24 24 LYS H H 24 8.750 8.750 7.725 1.025 25943 3506 1 9 . 1 1 25 25 MET N N 25 118.140 118.140 119.016 -0.876 25943 3507 1 9 . 1 1 25 25 MET HA H 25 3.955 3.955 4.141 -0.186 25943 3508 1 9 . 1 1 25 25 MET CA C 25 59.261 59.261 59.395 -0.134 25943 3509 1 9 . 1 1 25 25 MET CB C 25 32.276 32.276 32.749 -0.473 25943 3510 1 9 . 1 1 25 25 MET H H 25 8.005 8.005 7.750 0.255 25943 3511 1 9 . 1 1 26 26 HIS N N 26 114.610 114.610 116.684 -2.074 25943 3512 1 9 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.366 -0.045 25943 3513 1 9 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.625 0.583 25943 3514 1 9 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.410 0.162 25943 3515 1 9 . 1 1 26 26 HIS H H 26 7.779 7.779 7.902 -0.123 25943 3516 1 9 . 1 1 27 27 LEU N N 27 119.460 119.460 119.365 0.095 25943 3517 1 9 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.103 -0.102 25943 3518 1 9 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.524 0.222 25943 3519 1 9 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.267 0.639 25943 3520 1 9 . 1 1 27 27 LEU H H 27 7.954 7.954 7.679 0.275 25943 3521 1 9 . 1 1 28 28 GLU N N 28 116.810 116.810 117.328 -0.518 25943 3522 1 9 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.109 0.194 25943 3523 1 9 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.794 -1.554 25943 3524 1 9 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.309 -0.808 25943 3525 1 9 . 1 1 28 28 GLU H H 28 7.870 7.870 8.168 -0.298 25943 3526 1 9 . 1 1 29 29 ASP N N 29 116.732 116.732 121.036 -4.304 25943 3527 1 9 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.623 0.245 25943 3528 1 9 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.696 -1.569 25943 3529 1 9 . 1 1 29 29 ASP CB C 29 38.930 38.930 39.158 -0.228 25943 3530 1 9 . 1 1 29 29 ASP H H 29 7.548 7.548 7.882 -0.334 25943 3531 1 9 . 1 1 30 30 TYR N N 30 125.460 125.460 123.161 2.299 25943 3532 1 9 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.410 -0.076 25943 3533 1 9 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.658 2.092 25943 3534 1 9 . 1 1 30 30 TYR CB C 30 39.049 39.049 39.036 0.013 25943 3535 1 9 . 1 1 30 30 TYR H H 30 6.837 6.837 7.682 -0.845 25943 3536 1 9 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.616 -0.083 25943 3537 1 9 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.823 0.499 25943 3538 1 9 . 1 1 32 32 PRO CB C 32 31.329 31.329 33.296 -1.967 25943 3539 1 9 . 1 1 33 33 GLN N N 33 120.060 120.060 120.880 -0.820 25943 3540 1 9 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.358 -0.071 25943 3541 1 9 . 1 1 33 33 GLN CA C 33 56.012 56.012 56.209 -0.197 25943 3542 1 9 . 1 1 33 33 GLN CB C 33 29.730 29.730 30.043 -0.313 25943 3543 1 9 . 1 1 33 33 GLN H H 33 8.453 8.453 8.829 -0.376 25943 3544 1 9 . 1 1 34 34 LYS N N 34 121.020 121.020 119.354 1.666 25943 3545 1 9 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.392 -0.265 25943 3546 1 9 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.304 0.944 25943 3547 1 9 . 1 1 34 34 LYS CB C 34 31.837 31.837 33.065 -1.228 25943 3548 1 9 . 1 1 34 34 LYS H H 34 8.376 8.376 7.766 0.610 25943 3549 1 9 . 1 1 35 35 GLY N N 35 110.370 110.370 112.578 -2.208 25943 3550 1 9 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.340 0.659 25943 3551 1 9 . 1 1 35 35 GLY H H 35 8.630 8.630 8.510 0.120 25943 3552 1 9 . 1 1 36 36 CYS N N 36 117.850 117.850 118.110 -0.260 25943 3553 1 9 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.279 0.405 25943 3554 1 9 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.843 -1.351 25943 3555 1 9 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.421 1.498 25943 3556 1 9 . 1 1 36 36 CYS H H 36 7.855 7.855 7.915 -0.060 25943 3557 1 9 . 1 1 37 37 ILE N N 37 125.540 125.540 127.960 -2.420 25943 3558 1 9 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.338 0.266 25943 3559 1 9 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.914 -0.672 25943 3560 1 9 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.940 0.388 25943 3561 1 9 . 1 1 37 37 ILE H H 37 9.362 9.362 8.160 1.202 25943 3562 1 9 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.506 -0.156 25943 3563 1 9 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.208 0.037 25943 3564 1 9 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.230 0.230 25943 3565 1 9 . 1 1 39 39 LEU N N 39 120.950 120.950 124.811 -3.861 25943 3566 1 9 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.387 -0.497 25943 3567 1 9 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.907 -0.554 25943 3568 1 9 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.723 0.655 25943 3569 1 9 . 1 1 39 39 LEU H H 39 7.503 7.503 8.194 -0.691 25943 3570 1 9 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.444 -0.094 25943 3571 1 9 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.559 -0.258 25943 3572 1 9 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.595 -0.347 25943 3573 1 9 . 1 1 41 41 ARG N N 41 127.030 127.030 125.440 1.590 25943 3574 1 9 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.991 -0.163 25943 3575 1 9 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.730 0.974 25943 3576 1 9 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.205 0.076 25943 3577 1 9 . 1 1 41 41 ARG H H 41 8.997 8.997 8.794 0.203 25943 3578 1 9 . 1 1 42 42 GLY N N 42 106.770 106.770 107.193 -0.423 25943 3579 1 9 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.636 0.869 25943 3580 1 9 . 1 1 42 42 GLY H H 42 8.820 8.820 8.578 0.242 25943 3581 1 9 . 1 1 43 43 GLN N N 43 118.070 118.070 120.410 -2.340 25943 3582 1 9 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.200 -0.186 25943 3583 1 9 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.828 -0.131 25943 3584 1 9 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.267 1.553 25943 3585 1 9 . 1 1 43 43 GLN H H 43 7.724 7.724 8.386 -0.662 25943 3586 1 9 . 1 1 44 44 THR N N 44 115.670 115.670 117.027 -1.357 25943 3587 1 9 . 1 1 44 44 THR HA H 44 4.220 4.220 3.974 0.246 25943 3588 1 9 . 1 1 44 44 THR CA C 44 67.781 67.781 67.085 0.696 25943 3589 1 9 . 1 1 44 44 THR CB C 44 67.781 67.781 68.712 -0.931 25943 3590 1 9 . 1 1 44 44 THR H H 44 7.641 7.641 8.259 -0.618 25943 3591 1 9 . 1 1 45 45 GLU N N 45 119.340 119.340 120.064 -0.724 25943 3592 1 9 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.101 -0.351 25943 3593 1 9 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.563 1.266 25943 3594 1 9 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.113 0.213 25943 3595 1 9 . 1 1 45 45 GLU H H 45 8.412 8.412 7.977 0.435 25943 3596 1 9 . 1 1 46 46 LYS N N 46 115.700 115.700 115.956 -0.256 25943 3597 1 9 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.190 -0.018 25943 3598 1 9 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.222 0.615 25943 3599 1 9 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.453 0.828 25943 3600 1 9 . 1 1 46 46 LYS H H 46 7.289 7.289 7.719 -0.430 25943 3601 1 9 . 1 1 47 47 ALA N N 47 121.880 121.880 123.260 -1.380 25943 3602 1 9 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.215 0.072 25943 3603 1 9 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.068 1.033 25943 3604 1 9 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.825 -0.149 25943 3605 1 9 . 1 1 47 47 ALA H H 47 7.072 7.072 7.339 -0.267 25943 3606 1 9 . 1 1 48 48 ASP N N 48 121.440 121.440 122.172 -0.732 25943 3607 1 9 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.374 0.289 25943 3608 1 9 . 1 1 48 48 ASP CA C 48 52.046 52.046 52.596 -0.550 25943 3609 1 9 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.620 -2.917 25943 3610 1 9 . 1 1 48 48 ASP H H 48 8.654 8.654 8.316 0.338 25943 3611 1 9 . 1 1 49 49 HIS N N 49 112.540 112.540 118.361 -5.821 25943 3612 1 9 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.339 -0.367 25943 3613 1 9 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.082 1.194 25943 3614 1 9 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.844 -1.103 25943 3615 1 9 . 1 1 49 49 HIS H H 49 8.316 8.316 8.327 -0.011 25943 3616 1 9 . 1 1 50 50 VAL N N 50 117.460 117.460 119.406 -1.946 25943 3617 1 9 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.824 -0.147 25943 3618 1 9 . 1 1 50 50 VAL CA C 50 65.823 65.823 67.081 -1.258 25943 3619 1 9 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.193 0.610 25943 3620 1 9 . 1 1 50 50 VAL H H 50 7.610 7.610 7.636 -0.026 25943 3621 1 9 . 1 1 51 51 ASP N N 51 121.430 121.430 119.177 2.253 25943 3622 1 9 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.413 0.022 25943 3623 1 9 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.263 -0.671 25943 3624 1 9 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.767 -1.352 25943 3625 1 9 . 1 1 51 51 ASP H H 51 8.490 8.490 8.345 0.145 25943 3626 1 9 . 1 1 52 52 LEU N N 52 121.030 121.030 121.747 -0.717 25943 3627 1 9 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.960 0.007 25943 3628 1 9 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.198 -0.521 25943 3629 1 9 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.668 0.040 25943 3630 1 9 . 1 1 52 52 LEU H H 52 8.649 8.649 8.389 0.260 25943 3631 1 9 . 1 1 53 53 ALA N N 53 120.440 120.440 118.635 1.805 25943 3632 1 9 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.162 -0.227 25943 3633 1 9 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.868 0.730 25943 3634 1 9 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.265 -0.171 25943 3635 1 9 . 1 1 53 53 ALA H H 53 7.423 7.423 7.701 -0.278 25943 3636 1 9 . 1 1 54 54 THR N N 54 113.210 113.210 116.691 -3.481 25943 3637 1 9 . 1 1 54 54 THR HA H 54 3.712 3.712 4.129 -0.417 25943 3638 1 9 . 1 1 54 54 THR CA C 54 66.864 66.864 67.201 -0.337 25943 3639 1 9 . 1 1 54 54 THR CB C 54 68.868 68.868 68.828 0.040 25943 3640 1 9 . 1 1 54 54 THR H H 54 7.683 7.683 7.642 0.041 25943 3641 1 9 . 1 1 55 55 LEU N N 55 122.800 122.800 123.206 -0.406 25943 3642 1 9 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.242 -0.068 25943 3643 1 9 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.129 0.274 25943 3644 1 9 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.870 1.168 25943 3645 1 9 . 1 1 55 55 LEU H H 55 8.314 8.314 8.255 0.059 25943 3646 1 9 . 1 1 56 56 MET N N 56 115.790 115.790 118.422 -2.632 25943 3647 1 9 . 1 1 56 56 MET HA H 56 3.831 3.831 4.103 -0.272 25943 3648 1 9 . 1 1 56 56 MET CA C 56 60.849 60.849 60.074 0.775 25943 3649 1 9 . 1 1 56 56 MET CB C 56 34.668 34.668 32.917 1.751 25943 3650 1 9 . 1 1 56 56 MET H H 56 8.379 8.379 7.693 0.686 25943 3651 1 9 . 1 1 57 57 ILE N N 57 120.370 120.370 120.168 0.202 25943 3652 1 9 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.776 -0.339 25943 3653 1 9 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.513 0.337 25943 3654 1 9 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.927 0.425 25943 3655 1 9 . 1 1 57 57 ILE H H 57 8.007 8.007 7.986 0.021 25943 3656 1 9 . 1 1 58 58 ASP N N 58 122.569 122.569 120.124 2.445 25943 3657 1 9 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.455 -0.108 25943 3658 1 9 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.515 -0.853 25943 3659 1 9 . 1 1 58 58 ASP CB C 58 37.910 37.910 40.808 -2.898 25943 3660 1 9 . 1 1 58 58 ASP H H 58 9.271 9.271 8.112 1.159 25943 3661 1 9 . 1 1 59 59 PHE N N 59 114.340 114.340 118.765 -4.425 25943 3662 1 9 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.478 -0.254 25943 3663 1 9 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.574 0.802 25943 3664 1 9 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.867 0.663 25943 3665 1 9 . 1 1 59 59 PHE H H 59 8.025 8.025 8.137 -0.112 25943 3666 1 9 . 1 1 60 60 ASN N N 60 112.830 112.830 114.835 -2.005 25943 3667 1 9 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.881 -0.749 25943 3668 1 9 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.827 0.787 25943 3669 1 9 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.767 2.193 25943 3670 1 9 . 1 1 60 60 ASN H H 60 7.601 7.601 7.833 -0.232 25943 3671 1 9 . 1 1 61 61 GLY N N 61 110.840 110.840 107.951 2.889 25943 3672 1 9 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.474 0.269 25943 3673 1 9 . 1 1 61 61 GLY H H 61 8.626 8.626 7.425 1.201 25943 3674 1 9 . 1 1 62 62 GLU N N 62 117.990 117.990 121.648 -3.658 25943 3675 1 9 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.763 0.169 25943 3676 1 9 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.120 2.619 25943 3677 1 9 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.240 1.008 25943 3678 1 9 . 1 1 62 62 GLU H H 62 8.841 8.841 8.784 0.057 25943 3679 1 9 . 1 1 63 63 GLU N N 63 118.090 118.090 119.516 -1.426 25943 3680 1 9 . 1 1 63 63 GLU HA H 63 4.028 4.028 3.929 0.099 25943 3681 1 9 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.257 1.495 25943 3682 1 9 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.158 -0.834 25943 3683 1 9 . 1 1 63 63 GLU H H 63 8.535 8.535 8.515 0.020 25943 3684 1 9 . 1 1 64 64 LYS N N 64 119.720 119.720 119.022 0.698 25943 3685 1 9 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.169 -0.087 25943 3686 1 9 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.462 0.722 25943 3687 1 9 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.267 -0.509 25943 3688 1 9 . 1 1 64 64 LYS H H 64 9.107 9.107 7.989 1.118 25943 3689 1 9 . 1 1 65 65 ALA N N 65 120.030 120.030 122.482 -2.452 25943 3690 1 9 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.176 -0.258 25943 3691 1 9 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.367 0.567 25943 3692 1 9 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.306 1.283 25943 3693 1 9 . 1 1 65 65 ALA H H 65 8.179 8.179 8.077 0.102 25943 3694 1 9 . 1 1 66 66 TRP N N 66 116.210 116.210 119.698 -3.488 25943 3695 1 9 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.229 -0.255 25943 3696 1 9 . 1 1 66 66 TRP CA C 66 61.302 61.302 59.730 1.572 25943 3697 1 9 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.484 0.471 25943 3698 1 9 . 1 1 66 66 TRP H H 66 7.900 7.900 7.797 0.103 25943 3699 1 9 . 1 1 67 67 ALA N N 67 119.640 119.640 121.558 -1.918 25943 3700 1 9 . 1 1 67 67 ALA HA H 67 4.031 4.031 3.961 0.070 25943 3701 1 9 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.121 0.491 25943 3702 1 9 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.117 -0.011 25943 3703 1 9 . 1 1 67 67 ALA H H 67 7.754 7.754 7.752 0.002 25943 3704 1 9 . 1 1 68 68 MET N N 68 118.260 118.260 117.258 1.002 25943 3705 1 9 . 1 1 68 68 MET HA H 68 4.262 4.262 4.287 -0.025 25943 3706 1 9 . 1 1 68 68 MET CA C 68 58.647 58.647 58.877 -0.230 25943 3707 1 9 . 1 1 68 68 MET CB C 68 34.369 34.369 32.846 1.523 25943 3708 1 9 . 1 1 68 68 MET H H 68 8.500 8.500 8.124 0.376 25943 3709 1 9 . 1 1 69 69 ALA N N 69 120.358 120.358 123.042 -2.684 25943 3710 1 9 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.196 -0.623 25943 3711 1 9 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.112 0.517 25943 3712 1 9 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.174 -0.461 25943 3713 1 9 . 1 1 69 69 ALA H H 69 7.922 7.922 8.413 -0.491 25943 3714 1 9 . 1 1 70 70 VAL N N 70 114.916 114.916 117.703 -2.787 25943 3715 1 9 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.241 0.162 25943 3716 1 9 . 1 1 70 70 VAL CA C 70 67.934 67.934 66.198 1.736 25943 3717 1 9 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.590 0.698 25943 3718 1 9 . 1 1 70 70 VAL H H 70 8.202 8.202 7.962 0.240 25943 3719 1 9 . 1 1 71 71 TRP N N 71 118.400 118.400 121.433 -3.033 25943 3720 1 9 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.265 -0.128 25943 3721 1 9 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.629 0.633 25943 3722 1 9 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.827 -0.585 25943 3723 1 9 . 1 1 71 71 TRP H H 71 7.806 7.806 7.733 0.073 25943 3724 1 9 . 1 1 72 72 ILE N N 72 119.430 119.430 119.165 0.265 25943 3725 1 9 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.669 -0.547 25943 3726 1 9 . 1 1 72 72 ILE CA C 72 65.863 65.863 65.050 0.813 25943 3727 1 9 . 1 1 72 72 ILE CB C 72 36.670 36.670 38.000 -1.330 25943 3728 1 9 . 1 1 72 72 ILE H H 72 8.654 8.654 8.039 0.615 25943 3729 1 9 . 1 1 73 73 PHE N N 73 118.760 118.760 119.702 -0.942 25943 3730 1 9 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.105 0.409 25943 3731 1 9 . 1 1 73 73 PHE CA C 73 59.154 59.154 60.387 -1.233 25943 3732 1 9 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.914 -0.593 25943 3733 1 9 . 1 1 73 73 PHE H H 73 9.015 9.015 7.721 1.294 25943 3734 1 9 . 1 1 74 74 ALA N N 74 118.190 118.190 119.484 -1.294 25943 3735 1 9 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.901 -0.240 25943 3736 1 9 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.279 0.883 25943 3737 1 9 . 1 1 74 74 ALA CB C 74 17.151 17.151 18.060 -0.909 25943 3738 1 9 . 1 1 74 74 ALA H H 74 7.363 7.363 7.585 -0.222 25943 3739 1 9 . 1 1 75 75 ALA N N 75 122.920 122.920 122.929 -0.009 25943 3740 1 9 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.901 -0.166 25943 3741 1 9 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.438 0.188 25943 3742 1 9 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.578 -1.001 25943 3743 1 9 . 1 1 75 75 ALA H H 75 7.640 7.640 7.264 0.376 25943 3744 1 9 . 1 1 76 76 ILE N N 76 108.850 108.850 112.469 -3.619 25943 3745 1 9 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.152 0.344 25943 3746 1 9 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.303 0.375 25943 3747 1 9 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.743 0.649 25943 3748 1 9 . 1 1 76 76 ILE H H 76 7.901 7.901 7.311 0.590 25943 3749 1 9 . 1 1 77 77 ASN N N 77 116.232 116.232 119.538 -3.306 25943 3750 1 9 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.329 -0.071 25943 3751 1 9 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.197 0.873 25943 3752 1 9 . 1 1 77 77 ASN CB C 77 36.918 36.918 38.044 -1.126 25943 3753 1 9 . 1 1 77 77 ASN H H 77 7.865 7.865 7.611 0.254 25943 3754 1 9 . 1 1 78 78 ARG N N 78 118.810 118.810 122.660 -3.850 25943 3755 1 9 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.501 0.467 25943 3756 1 9 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.819 -4.896 25943 3757 1 9 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.394 -3.777 25943 3758 1 9 . 1 1 78 78 ARG H H 78 8.325 8.325 8.004 0.321 25943 3759 1 9 . 1 1 79 79 ARG N N 79 122.270 122.270 120.987 1.283 25943 3760 1 9 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.045 -0.134 25943 3761 1 9 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.260 -0.066 25943 3762 1 9 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.356 0.202 25943 3763 1 9 . 1 1 79 79 ARG H H 79 8.171 8.171 8.719 -0.548 25943 3764 1 9 . 1 1 80 80 ASP N N 80 117.180 117.180 118.779 -1.599 25943 3765 1 9 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.596 -0.737 25943 3766 1 9 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.675 -0.510 25943 3767 1 9 . 1 1 80 80 ASP CB C 80 38.372 38.372 39.998 -1.626 25943 3768 1 9 . 1 1 80 80 ASP H H 80 9.124 9.124 8.578 0.546 25943 3769 1 9 . 1 1 81 81 LEU N N 81 120.540 120.540 120.353 0.187 25943 3770 1 9 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.159 -0.320 25943 3771 1 9 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.172 -0.409 25943 3772 1 9 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.868 -1.579 25943 3773 1 9 . 1 1 81 81 LEU H H 81 7.267 7.267 7.867 -0.600 25943 3774 1 9 . 1 1 82 82 TYR N N 82 119.140 119.140 119.827 -0.687 25943 3775 1 9 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.199 -0.040 25943 3776 1 9 . 1 1 82 82 TYR CA C 82 62.239 62.239 60.991 1.248 25943 3777 1 9 . 1 1 82 82 TYR CB C 82 38.691 38.691 37.867 0.824 25943 3778 1 9 . 1 1 82 82 TYR H H 82 8.041 8.041 7.940 0.101 25943 3779 1 9 . 1 1 83 83 GLU N N 83 115.620 115.620 118.941 -3.321 25943 3780 1 9 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.557 0.139 25943 3781 1 9 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.523 -0.443 25943 3782 1 9 . 1 1 83 83 GLU CB C 83 29.137 29.137 28.816 0.321 25943 3783 1 9 . 1 1 83 83 GLU H H 83 8.194 8.194 7.794 0.400 25943 3784 1 9 . 1 1 84 84 LYS N N 84 118.080 118.080 119.997 -1.917 25943 3785 1 9 . 1 1 84 84 LYS HA H 84 3.917 3.917 3.994 -0.077 25943 3786 1 9 . 1 1 84 84 LYS CA C 84 59.764 59.764 59.318 0.446 25943 3787 1 9 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.504 0.870 25943 3788 1 9 . 1 1 84 84 LYS H H 84 7.446 7.446 7.452 -0.006 25943 3789 1 9 . 1 1 85 85 ALA N N 85 120.470 120.470 121.237 -0.767 25943 3790 1 9 . 1 1 85 85 ALA HA H 85 4.123 4.123 3.936 0.187 25943 3791 1 9 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.899 0.211 25943 3792 1 9 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.221 0.161 25943 3793 1 9 . 1 1 85 85 ALA H H 85 8.651 8.651 8.265 0.386 25943 3794 1 9 . 1 1 86 86 LYS N N 86 117.610 117.610 116.634 0.976 25943 3795 1 9 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.018 -0.008 25943 3796 1 9 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.273 0.896 25943 3797 1 9 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.421 -0.630 25943 3798 1 9 . 1 1 86 86 LYS H H 86 8.059 8.059 7.477 0.582 25943 3799 1 9 . 1 1 87 87 ARG N N 87 116.900 116.900 116.557 0.343 25943 3800 1 9 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.258 -0.093 25943 3801 1 9 . 1 1 87 87 ARG CA C 87 57.700 57.700 57.174 0.526 25943 3802 1 9 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.301 0.015 25943 3803 1 9 . 1 1 87 87 ARG H H 87 7.196 7.196 7.786 -0.590 25943 3804 1 9 . 1 1 88 88 ASP N N 88 119.290 119.290 117.572 1.718 25943 3805 1 9 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.806 -0.112 25943 3806 1 9 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.108 -0.438 25943 3807 1 9 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.676 0.743 25943 3808 1 9 . 1 1 88 88 ASP H H 88 7.507 7.507 7.623 -0.117 25943 3809 1 9 . 1 1 89 89 GLU N N 89 119.970 119.970 121.428 -1.458 25943 3810 1 9 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.131 -0.727 25943 3811 1 9 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.532 -0.097 25943 3812 1 9 . 1 1 89 89 GLU CB C 89 28.221 28.221 30.070 -1.849 25943 3813 1 9 . 1 1 89 89 GLU H H 89 7.337 7.337 7.399 -0.062 25943 3814 1 9 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.465 -0.259 25943 3815 1 9 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.898 0.358 25943 3816 1 9 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.377 -0.584 25943 3817 1 10 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.668 -0.512 25943 3818 1 10 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.941 -0.238 25943 3819 1 10 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.816 -0.175 25943 3820 1 10 . 1 1 3 3 SER N N 3 115.850 115.850 116.891 -1.041 25943 3821 1 10 . 1 1 3 3 SER HA H 3 4.696 4.696 4.511 0.185 25943 3822 1 10 . 1 1 3 3 SER CA C 3 57.756 57.756 57.500 0.256 25943 3823 1 10 . 1 1 3 3 SER CB C 3 64.325 64.325 64.504 -0.179 25943 3824 1 10 . 1 1 3 3 SER H H 3 8.757 8.757 8.442 0.315 25943 3825 1 10 . 1 1 4 4 THR N N 4 118.590 118.590 121.490 -2.900 25943 3826 1 10 . 1 1 4 4 THR HA H 4 4.213 4.213 4.094 0.119 25943 3827 1 10 . 1 1 4 4 THR CA C 4 64.714 64.714 64.943 -0.229 25943 3828 1 10 . 1 1 4 4 THR CB C 4 68.864 68.864 68.785 0.079 25943 3829 1 10 . 1 1 4 4 THR H H 4 8.854 8.854 8.766 0.088 25943 3830 1 10 . 1 1 5 5 ARG N N 5 122.240 122.240 122.692 -0.452 25943 3831 1 10 . 1 1 5 5 ARG HA H 5 3.969 3.969 3.917 0.052 25943 3832 1 10 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.215 -0.956 25943 3833 1 10 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.125 0.146 25943 3834 1 10 . 1 1 5 5 ARG H H 5 8.535 8.535 7.775 0.760 25943 3835 1 10 . 1 1 6 6 CYS N N 6 118.400 118.400 115.018 3.382 25943 3836 1 10 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.340 -0.093 25943 3837 1 10 . 1 1 6 6 CYS CA C 6 61.224 61.224 60.970 0.254 25943 3838 1 10 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.367 -0.164 25943 3839 1 10 . 1 1 6 6 CYS H H 6 8.174 8.174 7.876 0.298 25943 3840 1 10 . 1 1 7 7 LYS N N 7 123.084 123.084 121.955 1.129 25943 3841 1 10 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.099 -0.031 25943 3842 1 10 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.374 0.310 25943 3843 1 10 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.416 0.421 25943 3844 1 10 . 1 1 7 7 LYS H H 7 8.395 8.395 7.284 1.111 25943 3845 1 10 . 1 1 8 8 LEU N N 8 120.110 120.110 119.857 0.253 25943 3846 1 10 . 1 1 8 8 LEU HA H 8 3.974 3.974 3.849 0.125 25943 3847 1 10 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.563 0.675 25943 3848 1 10 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.893 -0.439 25943 3849 1 10 . 1 1 8 8 LEU H H 8 8.546 8.546 8.272 0.274 25943 3850 1 10 . 1 1 9 9 ALA N N 9 118.910 118.910 121.034 -2.124 25943 3851 1 10 . 1 1 9 9 ALA HA H 9 3.876 3.876 3.937 -0.061 25943 3852 1 10 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.028 0.608 25943 3853 1 10 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.165 0.410 25943 3854 1 10 . 1 1 9 9 ALA H H 9 8.076 8.076 7.792 0.284 25943 3855 1 10 . 1 1 10 10 ARG N N 10 116.760 116.760 118.134 -1.374 25943 3856 1 10 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.022 -0.070 25943 3857 1 10 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.537 -0.827 25943 3858 1 10 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.269 -0.545 25943 3859 1 10 . 1 1 10 10 ARG H H 10 7.556 7.556 8.050 -0.494 25943 3860 1 10 . 1 1 11 11 TYR N N 11 117.102 117.102 118.867 -1.765 25943 3861 1 10 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.193 0.154 25943 3862 1 10 . 1 1 11 11 TYR CA C 11 61.698 61.698 60.804 0.894 25943 3863 1 10 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.308 0.000 25943 3864 1 10 . 1 1 11 11 TYR H H 11 7.510 7.510 7.628 -0.118 25943 3865 1 10 . 1 1 12 12 LEU N N 12 116.791 116.791 116.917 -0.126 25943 3866 1 10 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.901 -0.004 25943 3867 1 10 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.210 0.366 25943 3868 1 10 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.410 -0.464 25943 3869 1 10 . 1 1 12 12 LEU H H 12 7.893 7.893 7.514 0.379 25943 3870 1 10 . 1 1 13 13 GLU N N 13 117.866 117.866 119.426 -1.560 25943 3871 1 10 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.142 -0.894 25943 3872 1 10 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.142 -0.476 25943 3873 1 10 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.905 -1.653 25943 3874 1 10 . 1 1 13 13 GLU H H 13 7.975 7.975 8.268 -0.292 25943 3875 1 10 . 1 1 14 14 ASP N N 14 116.190 116.190 117.540 -1.350 25943 3876 1 10 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.460 0.177 25943 3877 1 10 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.972 -0.837 25943 3878 1 10 . 1 1 14 14 ASP CB C 14 38.654 38.654 41.071 -2.417 25943 3879 1 10 . 1 1 14 14 ASP H H 14 7.293 7.293 7.890 -0.597 25943 3880 1 10 . 1 1 15 15 LEU N N 15 119.530 119.530 119.414 0.116 25943 3881 1 10 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.442 -0.133 25943 3882 1 10 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.758 0.931 25943 3883 1 10 . 1 1 15 15 LEU CB C 15 41.930 41.930 43.109 -1.179 25943 3884 1 10 . 1 1 15 15 LEU H H 15 7.301 7.301 7.164 0.137 25943 3885 1 10 . 1 1 16 16 GLU N N 16 121.840 121.840 119.707 2.133 25943 3886 1 10 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.237 0.279 25943 3887 1 10 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.334 -0.528 25943 3888 1 10 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.797 -1.565 25943 3889 1 10 . 1 1 16 16 GLU H H 16 8.837 8.837 8.418 0.418 25943 3890 1 10 . 1 1 17 17 ASP N N 17 122.070 122.070 120.639 1.431 25943 3891 1 10 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.344 0.005 25943 3892 1 10 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.887 0.881 25943 3893 1 10 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.667 -0.309 25943 3894 1 10 . 1 1 17 17 ASP H H 17 8.951 8.951 8.864 0.087 25943 3895 1 10 . 1 1 18 18 VAL N N 18 118.150 118.150 119.152 -1.002 25943 3896 1 10 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.732 0.127 25943 3897 1 10 . 1 1 18 18 VAL CA C 18 65.986 65.986 66.167 -0.181 25943 3898 1 10 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.790 -0.247 25943 3899 1 10 . 1 1 18 18 VAL H H 18 8.613 8.613 7.975 0.638 25943 3900 1 10 . 1 1 19 19 ASP N N 19 120.600 120.600 119.534 1.066 25943 3901 1 10 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.451 0.255 25943 3902 1 10 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.269 -0.449 25943 3903 1 10 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.088 1.770 25943 3904 1 10 . 1 1 19 19 ASP H H 19 7.358 7.358 8.267 -0.909 25943 3905 1 10 . 1 1 20 20 LEU N N 20 123.020 123.020 120.613 2.407 25943 3906 1 10 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.109 0.038 25943 3907 1 10 . 1 1 20 20 LEU CA C 20 58.115 58.115 58.159 -0.044 25943 3908 1 10 . 1 1 20 20 LEU CB C 20 40.919 40.919 42.124 -1.205 25943 3909 1 10 . 1 1 20 20 LEU H H 20 8.635 8.635 7.922 0.713 25943 3910 1 10 . 1 1 21 21 LYS N N 21 119.120 119.120 119.042 0.078 25943 3911 1 10 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.974 0.058 25943 3912 1 10 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.763 0.577 25943 3913 1 10 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.098 0.193 25943 3914 1 10 . 1 1 21 21 LYS H H 21 7.914 7.914 7.374 0.540 25943 3915 1 10 . 1 1 22 22 LYS N N 22 118.660 118.660 118.656 0.004 25943 3916 1 10 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.083 0.097 25943 3917 1 10 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.783 1.396 25943 3918 1 10 . 1 1 22 22 LYS CB C 22 33.615 33.615 31.768 1.847 25943 3919 1 10 . 1 1 22 22 LYS H H 22 7.715 7.715 7.535 0.180 25943 3920 1 10 . 1 1 23 23 PHE N N 23 123.360 123.360 120.555 2.805 25943 3921 1 10 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.162 -0.191 25943 3922 1 10 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.703 -0.313 25943 3923 1 10 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.253 1.200 25943 3924 1 10 . 1 1 23 23 PHE H H 23 9.148 9.148 7.644 1.504 25943 3925 1 10 . 1 1 24 24 LYS N N 24 117.660 117.660 119.394 -1.734 25943 3926 1 10 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.065 -0.290 25943 3927 1 10 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.864 1.351 25943 3928 1 10 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.562 0.744 25943 3929 1 10 . 1 1 24 24 LYS H H 24 8.750 8.750 7.822 0.928 25943 3930 1 10 . 1 1 25 25 MET N N 25 118.140 118.140 119.771 -1.631 25943 3931 1 10 . 1 1 25 25 MET HA H 25 3.955 3.955 4.103 -0.148 25943 3932 1 10 . 1 1 25 25 MET CA C 25 59.261 59.261 59.289 -0.028 25943 3933 1 10 . 1 1 25 25 MET CB C 25 32.276 32.276 32.806 -0.530 25943 3934 1 10 . 1 1 25 25 MET H H 25 8.005 8.005 8.430 -0.425 25943 3935 1 10 . 1 1 26 26 HIS N N 26 114.610 114.610 117.017 -2.407 25943 3936 1 10 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.380 -0.059 25943 3937 1 10 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.242 -0.034 25943 3938 1 10 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.416 0.156 25943 3939 1 10 . 1 1 26 26 HIS H H 26 7.779 7.779 8.070 -0.291 25943 3940 1 10 . 1 1 27 27 LEU N N 27 119.460 119.460 118.864 0.596 25943 3941 1 10 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.065 -0.064 25943 3942 1 10 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.656 0.090 25943 3943 1 10 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.776 1.130 25943 3944 1 10 . 1 1 27 27 LEU H H 27 7.954 7.954 7.362 0.592 25943 3945 1 10 . 1 1 28 28 GLU N N 28 116.810 116.810 118.640 -1.830 25943 3946 1 10 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.177 0.126 25943 3947 1 10 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.474 -1.234 25943 3948 1 10 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.469 -0.968 25943 3949 1 10 . 1 1 28 28 GLU H H 28 7.870 7.870 7.989 -0.119 25943 3950 1 10 . 1 1 29 29 ASP N N 29 116.732 116.732 118.837 -2.105 25943 3951 1 10 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.686 0.182 25943 3952 1 10 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.889 -1.762 25943 3953 1 10 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.181 -1.251 25943 3954 1 10 . 1 1 29 29 ASP H H 29 7.548 7.548 7.540 0.008 25943 3955 1 10 . 1 1 30 30 TYR N N 30 125.460 125.460 124.094 1.366 25943 3956 1 10 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.390 -0.056 25943 3957 1 10 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.491 2.259 25943 3958 1 10 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.556 0.493 25943 3959 1 10 . 1 1 30 30 TYR H H 30 6.837 6.837 7.492 -0.655 25943 3960 1 10 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.552 -0.019 25943 3961 1 10 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.825 0.497 25943 3962 1 10 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.384 -1.055 25943 3963 1 10 . 1 1 33 33 GLN N N 33 120.060 120.060 124.312 -4.252 25943 3964 1 10 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.271 0.016 25943 3965 1 10 . 1 1 33 33 GLN CA C 33 56.012 56.012 56.783 -0.771 25943 3966 1 10 . 1 1 33 33 GLN CB C 33 29.730 29.730 30.301 -0.571 25943 3967 1 10 . 1 1 33 33 GLN H H 33 8.453 8.453 8.546 -0.093 25943 3968 1 10 . 1 1 34 34 LYS N N 34 121.020 121.020 118.791 2.229 25943 3969 1 10 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.405 -0.278 25943 3970 1 10 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.681 0.567 25943 3971 1 10 . 1 1 34 34 LYS CB C 34 31.837 31.837 32.827 -0.990 25943 3972 1 10 . 1 1 34 34 LYS H H 34 8.376 8.376 7.696 0.680 25943 3973 1 10 . 1 1 35 35 GLY N N 35 110.370 110.370 112.557 -2.187 25943 3974 1 10 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.145 0.854 25943 3975 1 10 . 1 1 35 35 GLY H H 35 8.630 8.630 8.464 0.166 25943 3976 1 10 . 1 1 36 36 CYS N N 36 117.850 117.850 117.980 -0.130 25943 3977 1 10 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.277 0.407 25943 3978 1 10 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.788 -1.296 25943 3979 1 10 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.642 1.277 25943 3980 1 10 . 1 1 36 36 CYS H H 36 7.855 7.855 8.010 -0.155 25943 3981 1 10 . 1 1 37 37 ILE N N 37 125.540 125.540 128.378 -2.838 25943 3982 1 10 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.289 0.315 25943 3983 1 10 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.246 -1.003 25943 3984 1 10 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.686 0.642 25943 3985 1 10 . 1 1 37 37 ILE H H 37 9.362 9.362 8.317 1.045 25943 3986 1 10 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.428 -0.078 25943 3987 1 10 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.403 -0.158 25943 3988 1 10 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.171 0.289 25943 3989 1 10 . 1 1 39 39 LEU N N 39 120.950 120.950 124.875 -3.925 25943 3990 1 10 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.307 -0.417 25943 3991 1 10 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.670 -0.317 25943 3992 1 10 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.231 0.147 25943 3993 1 10 . 1 1 39 39 LEU H H 39 7.503 7.503 8.088 -0.585 25943 3994 1 10 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.363 -0.013 25943 3995 1 10 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.739 -0.438 25943 3996 1 10 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.524 -0.276 25943 3997 1 10 . 1 1 41 41 ARG N N 41 127.030 127.030 126.191 0.839 25943 3998 1 10 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.139 -0.311 25943 3999 1 10 . 1 1 41 41 ARG CA C 41 60.704 60.704 60.106 0.598 25943 4000 1 10 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.210 0.071 25943 4001 1 10 . 1 1 41 41 ARG H H 41 8.997 8.997 8.683 0.314 25943 4002 1 10 . 1 1 42 42 GLY N N 42 106.770 106.770 105.561 1.209 25943 4003 1 10 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.818 0.687 25943 4004 1 10 . 1 1 42 42 GLY H H 42 8.820 8.820 8.637 0.183 25943 4005 1 10 . 1 1 43 43 GLN N N 43 118.070 118.070 120.448 -2.378 25943 4006 1 10 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.218 -0.204 25943 4007 1 10 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.565 0.132 25943 4008 1 10 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.326 1.494 25943 4009 1 10 . 1 1 43 43 GLN H H 43 7.724 7.724 7.510 0.214 25943 4010 1 10 . 1 1 44 44 THR N N 44 115.670 115.670 116.572 -0.902 25943 4011 1 10 . 1 1 44 44 THR HA H 44 4.220 4.220 4.003 0.217 25943 4012 1 10 . 1 1 44 44 THR CA C 44 67.781 67.781 66.597 1.184 25943 4013 1 10 . 1 1 44 44 THR CB C 44 67.781 67.781 68.475 -0.694 25943 4014 1 10 . 1 1 44 44 THR H H 44 7.641 7.641 7.731 -0.090 25943 4015 1 10 . 1 1 45 45 GLU N N 45 119.340 119.340 120.538 -1.198 25943 4016 1 10 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.058 -0.308 25943 4017 1 10 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.863 0.966 25943 4018 1 10 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.007 0.318 25943 4019 1 10 . 1 1 45 45 GLU H H 45 8.412 8.412 8.321 0.091 25943 4020 1 10 . 1 1 46 46 LYS N N 46 115.700 115.700 115.695 0.005 25943 4021 1 10 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.253 -0.081 25943 4022 1 10 . 1 1 46 46 LYS CA C 46 56.837 56.837 55.908 0.929 25943 4023 1 10 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.495 0.786 25943 4024 1 10 . 1 1 46 46 LYS H H 46 7.289 7.289 7.652 -0.363 25943 4025 1 10 . 1 1 47 47 ALA N N 47 121.880 121.880 123.319 -1.439 25943 4026 1 10 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.194 0.093 25943 4027 1 10 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.203 0.899 25943 4028 1 10 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.669 0.007 25943 4029 1 10 . 1 1 47 47 ALA H H 47 7.072 7.072 7.409 -0.337 25943 4030 1 10 . 1 1 48 48 ASP N N 48 121.440 121.440 123.315 -1.875 25943 4031 1 10 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.683 -0.020 25943 4032 1 10 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.147 -1.101 25943 4033 1 10 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.155 -2.452 25943 4034 1 10 . 1 1 48 48 ASP H H 48 8.654 8.654 8.333 0.321 25943 4035 1 10 . 1 1 49 49 HIS N N 49 112.540 112.540 119.993 -7.453 25943 4036 1 10 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.179 -0.207 25943 4037 1 10 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.690 0.586 25943 4038 1 10 . 1 1 49 49 HIS CB C 49 28.741 28.741 28.830 -0.089 25943 4039 1 10 . 1 1 49 49 HIS H H 49 8.316 8.316 9.173 -0.857 25943 4040 1 10 . 1 1 50 50 VAL N N 50 117.460 117.460 119.673 -2.213 25943 4041 1 10 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.517 0.160 25943 4042 1 10 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.141 -0.318 25943 4043 1 10 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.151 0.651 25943 4044 1 10 . 1 1 50 50 VAL H H 50 7.610 7.610 7.160 0.450 25943 4045 1 10 . 1 1 51 51 ASP N N 51 121.430 121.430 118.825 2.605 25943 4046 1 10 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.274 0.161 25943 4047 1 10 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.115 -0.523 25943 4048 1 10 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.371 -0.956 25943 4049 1 10 . 1 1 51 51 ASP H H 51 8.490 8.490 8.000 0.490 25943 4050 1 10 . 1 1 52 52 LEU N N 52 121.030 121.030 120.620 0.410 25943 4051 1 10 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.987 -0.020 25943 4052 1 10 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.024 -0.347 25943 4053 1 10 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.102 0.606 25943 4054 1 10 . 1 1 52 52 LEU H H 52 8.649 8.649 8.475 0.174 25943 4055 1 10 . 1 1 53 53 ALA N N 53 120.440 120.440 119.243 1.197 25943 4056 1 10 . 1 1 53 53 ALA HA H 53 3.935 3.935 3.964 -0.029 25943 4057 1 10 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.548 0.050 25943 4058 1 10 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.043 0.051 25943 4059 1 10 . 1 1 53 53 ALA H H 53 7.423 7.423 7.682 -0.259 25943 4060 1 10 . 1 1 54 54 THR N N 54 113.210 113.210 115.794 -2.584 25943 4061 1 10 . 1 1 54 54 THR HA H 54 3.712 3.712 4.076 -0.364 25943 4062 1 10 . 1 1 54 54 THR CA C 54 66.864 66.864 66.468 0.396 25943 4063 1 10 . 1 1 54 54 THR CB C 54 68.868 68.868 68.431 0.437 25943 4064 1 10 . 1 1 54 54 THR H H 54 7.683 7.683 7.224 0.459 25943 4065 1 10 . 1 1 55 55 LEU N N 55 122.800 122.800 122.452 0.348 25943 4066 1 10 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.113 0.061 25943 4067 1 10 . 1 1 55 55 LEU CA C 55 58.403 58.403 57.977 0.426 25943 4068 1 10 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.548 1.490 25943 4069 1 10 . 1 1 55 55 LEU H H 55 8.314 8.314 7.964 0.350 25943 4070 1 10 . 1 1 56 56 MET N N 56 115.790 115.790 118.769 -2.979 25943 4071 1 10 . 1 1 56 56 MET HA H 56 3.831 3.831 4.287 -0.456 25943 4072 1 10 . 1 1 56 56 MET CA C 56 60.849 60.849 57.722 3.127 25943 4073 1 10 . 1 1 56 56 MET CB C 56 34.668 34.668 32.204 2.464 25943 4074 1 10 . 1 1 56 56 MET H H 56 8.379 8.379 7.823 0.556 25943 4075 1 10 . 1 1 57 57 ILE N N 57 120.370 120.370 120.119 0.251 25943 4076 1 10 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.698 -0.261 25943 4077 1 10 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.871 -0.021 25943 4078 1 10 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.881 0.471 25943 4079 1 10 . 1 1 57 57 ILE H H 57 8.007 8.007 7.859 0.148 25943 4080 1 10 . 1 1 58 58 ASP N N 58 122.569 122.569 119.964 2.605 25943 4081 1 10 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.432 -0.085 25943 4082 1 10 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.123 -0.461 25943 4083 1 10 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.429 -3.519 25943 4084 1 10 . 1 1 58 58 ASP H H 58 9.271 9.271 7.975 1.296 25943 4085 1 10 . 1 1 59 59 PHE N N 59 114.340 114.340 118.421 -4.081 25943 4086 1 10 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.441 -0.217 25943 4087 1 10 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.746 0.630 25943 4088 1 10 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.952 0.578 25943 4089 1 10 . 1 1 59 59 PHE H H 59 8.025 8.025 7.930 0.095 25943 4090 1 10 . 1 1 60 60 ASN N N 60 112.830 112.830 115.213 -2.383 25943 4091 1 10 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.831 -0.699 25943 4092 1 10 . 1 1 60 60 ASN CA C 60 54.614 54.614 54.041 0.573 25943 4093 1 10 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.881 2.079 25943 4094 1 10 . 1 1 60 60 ASN H H 60 7.601 7.601 7.769 -0.168 25943 4095 1 10 . 1 1 61 61 GLY N N 61 110.840 110.840 107.456 3.384 25943 4096 1 10 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.751 -0.009 25943 4097 1 10 . 1 1 61 61 GLY H H 61 8.626 8.626 7.426 1.200 25943 4098 1 10 . 1 1 62 62 GLU N N 62 117.990 117.990 121.100 -3.110 25943 4099 1 10 . 1 1 62 62 GLU HA H 62 3.932 3.932 4.050 -0.118 25943 4100 1 10 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.671 2.068 25943 4101 1 10 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.198 1.050 25943 4102 1 10 . 1 1 62 62 GLU H H 62 8.841 8.841 8.872 -0.031 25943 4103 1 10 . 1 1 63 63 GLU N N 63 118.090 118.090 119.223 -1.133 25943 4104 1 10 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.180 -0.152 25943 4105 1 10 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.297 1.455 25943 4106 1 10 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.559 -0.235 25943 4107 1 10 . 1 1 63 63 GLU H H 63 8.535 8.535 9.004 -0.469 25943 4108 1 10 . 1 1 64 64 LYS N N 64 119.720 119.720 120.300 -0.580 25943 4109 1 10 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.214 -0.132 25943 4110 1 10 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.589 0.595 25943 4111 1 10 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.382 -0.624 25943 4112 1 10 . 1 1 64 64 LYS H H 64 9.107 9.107 7.944 1.163 25943 4113 1 10 . 1 1 65 65 ALA N N 65 120.030 120.030 122.871 -2.841 25943 4114 1 10 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.027 -0.109 25943 4115 1 10 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.112 0.822 25943 4116 1 10 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.090 1.499 25943 4117 1 10 . 1 1 65 65 ALA H H 65 8.179 8.179 7.787 0.392 25943 4118 1 10 . 1 1 66 66 TRP N N 66 116.210 116.210 119.108 -2.898 25943 4119 1 10 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.210 -0.236 25943 4120 1 10 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.390 0.912 25943 4121 1 10 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.316 -0.361 25943 4122 1 10 . 1 1 66 66 TRP H H 66 7.900 7.900 7.880 0.020 25943 4123 1 10 . 1 1 67 67 ALA N N 67 119.640 119.640 122.040 -2.400 25943 4124 1 10 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.105 -0.074 25943 4125 1 10 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.057 0.555 25943 4126 1 10 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.229 -0.123 25943 4127 1 10 . 1 1 67 67 ALA H H 67 7.754 7.754 7.644 0.110 25943 4128 1 10 . 1 1 68 68 MET N N 68 118.260 118.260 117.580 0.680 25943 4129 1 10 . 1 1 68 68 MET HA H 68 4.262 4.262 4.279 -0.017 25943 4130 1 10 . 1 1 68 68 MET CA C 68 58.647 58.647 58.815 -0.168 25943 4131 1 10 . 1 1 68 68 MET CB C 68 34.369 34.369 32.818 1.551 25943 4132 1 10 . 1 1 68 68 MET H H 68 8.500 8.500 8.319 0.181 25943 4133 1 10 . 1 1 69 69 ALA N N 69 120.358 120.358 122.854 -2.496 25943 4134 1 10 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.037 -0.464 25943 4135 1 10 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.110 0.519 25943 4136 1 10 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.142 -0.429 25943 4137 1 10 . 1 1 69 69 ALA H H 69 7.922 7.922 8.439 -0.517 25943 4138 1 10 . 1 1 70 70 VAL N N 70 114.916 114.916 117.806 -2.890 25943 4139 1 10 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.556 -0.153 25943 4140 1 10 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.267 2.667 25943 4141 1 10 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.923 0.365 25943 4142 1 10 . 1 1 70 70 VAL H H 70 8.202 8.202 7.777 0.425 25943 4143 1 10 . 1 1 71 71 TRP N N 71 118.400 118.400 121.303 -2.903 25943 4144 1 10 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.389 -0.252 25943 4145 1 10 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.511 0.751 25943 4146 1 10 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.823 -0.581 25943 4147 1 10 . 1 1 71 71 TRP H H 71 7.806 7.806 7.792 0.014 25943 4148 1 10 . 1 1 72 72 ILE N N 72 119.430 119.430 119.459 -0.029 25943 4149 1 10 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.515 -0.393 25943 4150 1 10 . 1 1 72 72 ILE CA C 72 65.863 65.863 65.097 0.766 25943 4151 1 10 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.856 -1.187 25943 4152 1 10 . 1 1 72 72 ILE H H 72 8.654 8.654 7.737 0.917 25943 4153 1 10 . 1 1 73 73 PHE N N 73 118.760 118.760 118.708 0.052 25943 4154 1 10 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.131 0.383 25943 4155 1 10 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.837 -0.684 25943 4156 1 10 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.268 0.053 25943 4157 1 10 . 1 1 73 73 PHE H H 73 9.015 9.015 6.929 2.086 25943 4158 1 10 . 1 1 74 74 ALA N N 74 118.190 118.190 120.079 -1.889 25943 4159 1 10 . 1 1 74 74 ALA HA H 74 3.661 3.661 4.035 -0.374 25943 4160 1 10 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.684 0.478 25943 4161 1 10 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.755 -0.604 25943 4162 1 10 . 1 1 74 74 ALA H H 74 7.363 7.363 7.754 -0.391 25943 4163 1 10 . 1 1 75 75 ALA N N 75 122.920 122.920 122.783 0.137 25943 4164 1 10 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.902 -0.167 25943 4165 1 10 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.240 0.386 25943 4166 1 10 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.334 -0.757 25943 4167 1 10 . 1 1 75 75 ALA H H 75 7.640 7.640 7.145 0.495 25943 4168 1 10 . 1 1 76 76 ILE N N 76 108.850 108.850 112.361 -3.511 25943 4169 1 10 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.164 0.332 25943 4170 1 10 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.560 0.118 25943 4171 1 10 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.776 0.616 25943 4172 1 10 . 1 1 76 76 ILE H H 76 7.901 7.901 7.427 0.474 25943 4173 1 10 . 1 1 77 77 ASN N N 77 116.232 116.232 119.373 -3.141 25943 4174 1 10 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.340 -0.082 25943 4175 1 10 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.308 0.762 25943 4176 1 10 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.811 -0.893 25943 4177 1 10 . 1 1 77 77 ASN H H 77 7.865 7.865 7.592 0.273 25943 4178 1 10 . 1 1 78 78 ARG N N 78 118.810 118.810 123.307 -4.497 25943 4179 1 10 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.567 0.401 25943 4180 1 10 . 1 1 78 78 ARG CA C 78 50.923 50.923 54.941 -4.018 25943 4181 1 10 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.567 -3.950 25943 4182 1 10 . 1 1 78 78 ARG H H 78 8.325 8.325 7.743 0.582 25943 4183 1 10 . 1 1 79 79 ARG N N 79 122.270 122.270 121.313 0.957 25943 4184 1 10 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.947 -0.036 25943 4185 1 10 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.986 -0.792 25943 4186 1 10 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.431 0.127 25943 4187 1 10 . 1 1 79 79 ARG H H 79 8.171 8.171 8.403 -0.232 25943 4188 1 10 . 1 1 80 80 ASP N N 80 117.180 117.180 120.398 -3.218 25943 4189 1 10 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.410 -0.551 25943 4190 1 10 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.057 -0.892 25943 4191 1 10 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.467 -2.095 25943 4192 1 10 . 1 1 80 80 ASP H H 80 9.124 9.124 8.148 0.976 25943 4193 1 10 . 1 1 81 81 LEU N N 81 120.540 120.540 119.188 1.352 25943 4194 1 10 . 1 1 81 81 LEU HA H 81 3.839 3.839 3.925 -0.086 25943 4195 1 10 . 1 1 81 81 LEU CA C 81 56.763 56.763 56.931 -0.168 25943 4196 1 10 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.871 -1.582 25943 4197 1 10 . 1 1 81 81 LEU H H 81 7.267 7.267 8.207 -0.940 25943 4198 1 10 . 1 1 82 82 TYR N N 82 119.140 119.140 119.442 -0.302 25943 4199 1 10 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.229 -0.070 25943 4200 1 10 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.918 0.321 25943 4201 1 10 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.492 0.199 25943 4202 1 10 . 1 1 82 82 TYR H H 82 8.041 8.041 8.239 -0.198 25943 4203 1 10 . 1 1 83 83 GLU N N 83 115.620 115.620 118.894 -3.274 25943 4204 1 10 . 1 1 83 83 GLU HA H 83 3.696 3.696 4.146 -0.450 25943 4205 1 10 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.427 -0.347 25943 4206 1 10 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.629 -0.492 25943 4207 1 10 . 1 1 83 83 GLU H H 83 8.194 8.194 7.853 0.341 25943 4208 1 10 . 1 1 84 84 LYS N N 84 118.080 118.080 119.313 -1.233 25943 4209 1 10 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.164 -0.247 25943 4210 1 10 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.907 0.857 25943 4211 1 10 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.458 0.916 25943 4212 1 10 . 1 1 84 84 LYS H H 84 7.446 7.446 7.567 -0.121 25943 4213 1 10 . 1 1 85 85 ALA N N 85 120.470 120.470 122.351 -1.881 25943 4214 1 10 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.163 -0.040 25943 4215 1 10 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.389 -0.279 25943 4216 1 10 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.439 -0.057 25943 4217 1 10 . 1 1 85 85 ALA H H 85 8.651 8.651 8.448 0.203 25943 4218 1 10 . 1 1 86 86 LYS N N 86 117.610 117.610 116.865 0.745 25943 4219 1 10 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.234 -0.224 25943 4220 1 10 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.246 0.923 25943 4221 1 10 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.500 -0.709 25943 4222 1 10 . 1 1 86 86 LYS H H 86 8.059 8.059 7.499 0.560 25943 4223 1 10 . 1 1 87 87 ARG N N 87 116.900 116.900 117.571 -0.671 25943 4224 1 10 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.259 -0.094 25943 4225 1 10 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.140 -0.440 25943 4226 1 10 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.689 -0.374 25943 4227 1 10 . 1 1 87 87 ARG H H 87 7.196 7.196 7.352 -0.156 25943 4228 1 10 . 1 1 88 88 ASP N N 88 119.290 119.290 118.304 0.986 25943 4229 1 10 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.788 -0.094 25943 4230 1 10 . 1 1 88 88 ASP CA C 88 53.669 53.669 55.339 -1.670 25943 4231 1 10 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.453 0.966 25943 4232 1 10 . 1 1 88 88 ASP H H 88 7.507 7.507 8.038 -0.531 25943 4233 1 10 . 1 1 89 89 GLU N N 89 119.970 119.970 120.755 -0.785 25943 4234 1 10 . 1 1 89 89 GLU HA H 89 3.404 3.404 3.957 -0.553 25943 4235 1 10 . 1 1 89 89 GLU CA C 89 54.435 54.435 55.493 -1.058 25943 4236 1 10 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.687 -1.466 25943 4237 1 10 . 1 1 89 89 GLU H H 89 7.337 7.337 7.466 -0.129 25943 4238 1 10 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.382 -0.176 25943 4239 1 10 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.652 0.604 25943 4240 1 10 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.261 -0.468 25943 4241 1 11 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.490 -0.334 25943 4242 1 11 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.260 -0.557 25943 4243 1 11 . 1 1 2 2 ALA CB C 2 19.641 19.641 18.516 1.125 25943 4244 1 11 . 1 1 3 3 SER N N 3 115.850 115.850 117.748 -1.898 25943 4245 1 11 . 1 1 3 3 SER HA H 3 4.696 4.696 4.589 0.107 25943 4246 1 11 . 1 1 3 3 SER CA C 3 57.756 57.756 57.047 0.709 25943 4247 1 11 . 1 1 3 3 SER CB C 3 64.325 64.325 65.423 -1.098 25943 4248 1 11 . 1 1 3 3 SER H H 3 8.757 8.757 8.178 0.579 25943 4249 1 11 . 1 1 4 4 THR N N 4 118.590 118.590 117.915 0.675 25943 4250 1 11 . 1 1 4 4 THR HA H 4 4.213 4.213 4.136 0.077 25943 4251 1 11 . 1 1 4 4 THR CA C 4 64.714 64.714 65.699 -0.985 25943 4252 1 11 . 1 1 4 4 THR CB C 4 68.864 68.864 68.918 -0.054 25943 4253 1 11 . 1 1 4 4 THR H H 4 8.854 8.854 8.650 0.204 25943 4254 1 11 . 1 1 5 5 ARG N N 5 122.240 122.240 121.228 1.012 25943 4255 1 11 . 1 1 5 5 ARG HA H 5 3.969 3.969 3.973 -0.004 25943 4256 1 11 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.404 -1.145 25943 4257 1 11 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.621 0.650 25943 4258 1 11 . 1 1 5 5 ARG H H 5 8.535 8.535 8.045 0.490 25943 4259 1 11 . 1 1 6 6 CYS N N 6 118.400 118.400 116.910 1.490 25943 4260 1 11 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.277 -0.030 25943 4261 1 11 . 1 1 6 6 CYS CA C 6 61.224 61.224 61.323 -0.099 25943 4262 1 11 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.544 0.659 25943 4263 1 11 . 1 1 6 6 CYS H H 6 8.174 8.174 7.960 0.214 25943 4264 1 11 . 1 1 7 7 LYS N N 7 123.084 123.084 122.057 1.027 25943 4265 1 11 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.115 -0.047 25943 4266 1 11 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.617 0.067 25943 4267 1 11 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.369 0.468 25943 4268 1 11 . 1 1 7 7 LYS H H 7 8.395 8.395 7.103 1.292 25943 4269 1 11 . 1 1 8 8 LEU N N 8 120.110 120.110 119.616 0.494 25943 4270 1 11 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.010 -0.036 25943 4271 1 11 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.940 0.298 25943 4272 1 11 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.462 -0.008 25943 4273 1 11 . 1 1 8 8 LEU H H 8 8.546 8.546 8.325 0.221 25943 4274 1 11 . 1 1 9 9 ALA N N 9 118.910 118.910 121.566 -2.656 25943 4275 1 11 . 1 1 9 9 ALA HA H 9 3.876 3.876 3.972 -0.096 25943 4276 1 11 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.368 0.268 25943 4277 1 11 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.120 0.455 25943 4278 1 11 . 1 1 9 9 ALA H H 9 8.076 8.076 7.927 0.149 25943 4279 1 11 . 1 1 10 10 ARG N N 10 116.760 116.760 118.951 -2.191 25943 4280 1 11 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.050 -0.098 25943 4281 1 11 . 1 1 10 10 ARG CA C 10 58.710 58.710 58.318 0.392 25943 4282 1 11 . 1 1 10 10 ARG CB C 10 29.724 29.724 29.757 -0.033 25943 4283 1 11 . 1 1 10 10 ARG H H 10 7.556 7.556 7.767 -0.211 25943 4284 1 11 . 1 1 11 11 TYR N N 11 117.102 117.102 119.634 -2.532 25943 4285 1 11 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.522 -0.175 25943 4286 1 11 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.599 0.099 25943 4287 1 11 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.699 -0.391 25943 4288 1 11 . 1 1 11 11 TYR H H 11 7.510 7.510 8.059 -0.549 25943 4289 1 11 . 1 1 12 12 LEU N N 12 116.791 116.791 117.575 -0.784 25943 4290 1 11 . 1 1 12 12 LEU HA H 12 3.897 3.897 4.052 -0.155 25943 4291 1 11 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.009 0.567 25943 4292 1 11 . 1 1 12 12 LEU CB C 12 40.946 40.946 42.197 -1.251 25943 4293 1 11 . 1 1 12 12 LEU H H 12 7.893 7.893 8.204 -0.311 25943 4294 1 11 . 1 1 13 13 GLU N N 13 117.866 117.866 118.261 -0.395 25943 4295 1 11 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.048 -0.800 25943 4296 1 11 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.101 -0.435 25943 4297 1 11 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.473 -1.220 25943 4298 1 11 . 1 1 13 13 GLU H H 13 7.975 7.975 7.865 0.110 25943 4299 1 11 . 1 1 14 14 ASP N N 14 116.190 116.190 115.972 0.218 25943 4300 1 11 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.389 0.248 25943 4301 1 11 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.692 -0.557 25943 4302 1 11 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.133 -1.479 25943 4303 1 11 . 1 1 14 14 ASP H H 14 7.293 7.293 7.862 -0.569 25943 4304 1 11 . 1 1 15 15 LEU N N 15 119.530 119.530 118.743 0.787 25943 4305 1 11 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.232 0.077 25943 4306 1 11 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.240 0.449 25943 4307 1 11 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.562 -0.632 25943 4308 1 11 . 1 1 15 15 LEU H H 15 7.301 7.301 7.144 0.157 25943 4309 1 11 . 1 1 16 16 GLU N N 16 121.840 121.840 120.140 1.700 25943 4310 1 11 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.201 0.315 25943 4311 1 11 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.327 -0.521 25943 4312 1 11 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.060 -1.828 25943 4313 1 11 . 1 1 16 16 GLU H H 16 8.837 8.837 8.392 0.445 25943 4314 1 11 . 1 1 17 17 ASP N N 17 122.070 122.070 122.709 -0.639 25943 4315 1 11 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.382 -0.033 25943 4316 1 11 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.975 0.793 25943 4317 1 11 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.427 -0.069 25943 4318 1 11 . 1 1 17 17 ASP H H 17 8.951 8.951 8.652 0.299 25943 4319 1 11 . 1 1 18 18 VAL N N 18 118.150 118.150 119.808 -1.658 25943 4320 1 11 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.863 -0.004 25943 4321 1 11 . 1 1 18 18 VAL CA C 18 65.986 65.986 66.095 -0.109 25943 4322 1 11 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.105 0.438 25943 4323 1 11 . 1 1 18 18 VAL H H 18 8.613 8.613 8.108 0.505 25943 4324 1 11 . 1 1 19 19 ASP N N 19 120.600 120.600 120.061 0.539 25943 4325 1 11 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.556 0.150 25943 4326 1 11 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.009 -0.189 25943 4327 1 11 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.140 1.718 25943 4328 1 11 . 1 1 19 19 ASP H H 19 7.358 7.358 8.317 -0.959 25943 4329 1 11 . 1 1 20 20 LEU N N 20 123.020 123.020 121.503 1.517 25943 4330 1 11 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.057 0.090 25943 4331 1 11 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.728 0.387 25943 4332 1 11 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.376 -0.457 25943 4333 1 11 . 1 1 20 20 LEU H H 20 8.635 8.635 8.176 0.459 25943 4334 1 11 . 1 1 21 21 LYS N N 21 119.120 119.120 119.170 -0.050 25943 4335 1 11 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.015 0.017 25943 4336 1 11 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.864 0.477 25943 4337 1 11 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.254 0.037 25943 4338 1 11 . 1 1 21 21 LYS H H 21 7.914 7.914 7.578 0.336 25943 4339 1 11 . 1 1 22 22 LYS N N 22 118.660 118.660 119.984 -1.324 25943 4340 1 11 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.094 0.086 25943 4341 1 11 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.816 0.363 25943 4342 1 11 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.410 1.205 25943 4343 1 11 . 1 1 22 22 LYS H H 22 7.715 7.715 7.476 0.239 25943 4344 1 11 . 1 1 23 23 PHE N N 23 123.360 123.360 120.139 3.221 25943 4345 1 11 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.228 -0.257 25943 4346 1 11 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.802 -0.412 25943 4347 1 11 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.262 1.191 25943 4348 1 11 . 1 1 23 23 PHE H H 23 9.148 9.148 8.456 0.692 25943 4349 1 11 . 1 1 24 24 LYS N N 24 117.660 117.660 119.814 -2.154 25943 4350 1 11 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.103 -0.328 25943 4351 1 11 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.579 1.636 25943 4352 1 11 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.736 0.571 25943 4353 1 11 . 1 1 24 24 LYS H H 24 8.750 8.750 7.870 0.880 25943 4354 1 11 . 1 1 25 25 MET N N 25 118.140 118.140 118.623 -0.483 25943 4355 1 11 . 1 1 25 25 MET HA H 25 3.955 3.955 4.363 -0.408 25943 4356 1 11 . 1 1 25 25 MET CA C 25 59.261 59.261 57.401 1.859 25943 4357 1 11 . 1 1 25 25 MET CB C 25 32.276 32.276 32.337 -0.062 25943 4358 1 11 . 1 1 25 25 MET H H 25 8.005 8.005 8.392 -0.387 25943 4359 1 11 . 1 1 26 26 HIS N N 26 114.610 114.610 118.423 -3.813 25943 4360 1 11 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.500 -0.179 25943 4361 1 11 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.066 1.142 25943 4362 1 11 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.718 -0.146 25943 4363 1 11 . 1 1 26 26 HIS H H 26 7.779 7.779 8.187 -0.408 25943 4364 1 11 . 1 1 27 27 LEU N N 27 119.460 119.460 118.690 0.770 25943 4365 1 11 . 1 1 27 27 LEU HA H 27 4.001 4.001 3.890 0.111 25943 4366 1 11 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.794 -0.048 25943 4367 1 11 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.221 0.685 25943 4368 1 11 . 1 1 27 27 LEU H H 27 7.954 7.954 7.584 0.370 25943 4369 1 11 . 1 1 28 28 GLU N N 28 116.810 116.810 116.677 0.133 25943 4370 1 11 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.102 0.201 25943 4371 1 11 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.691 -1.451 25943 4372 1 11 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.296 -0.795 25943 4373 1 11 . 1 1 28 28 GLU H H 28 7.870 7.870 7.794 0.076 25943 4374 1 11 . 1 1 29 29 ASP N N 29 116.732 116.732 119.179 -2.447 25943 4375 1 11 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.662 0.206 25943 4376 1 11 . 1 1 29 29 ASP CA C 29 52.127 52.127 54.524 -2.397 25943 4377 1 11 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.603 -1.673 25943 4378 1 11 . 1 1 29 29 ASP H H 29 7.548 7.548 7.717 -0.169 25943 4379 1 11 . 1 1 30 30 TYR N N 30 125.460 125.460 123.611 1.849 25943 4380 1 11 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.508 -0.174 25943 4381 1 11 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.550 2.200 25943 4382 1 11 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.732 0.317 25943 4383 1 11 . 1 1 30 30 TYR H H 30 6.837 6.837 7.530 -0.693 25943 4384 1 11 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.497 0.036 25943 4385 1 11 . 1 1 32 32 PRO CA C 32 63.322 63.322 63.208 0.114 25943 4386 1 11 . 1 1 32 32 PRO CB C 32 31.329 31.329 31.746 -0.417 25943 4387 1 11 . 1 1 33 33 GLN N N 33 120.060 120.060 122.899 -2.839 25943 4388 1 11 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.385 -0.098 25943 4389 1 11 . 1 1 33 33 GLN CA C 33 56.012 56.012 55.063 0.949 25943 4390 1 11 . 1 1 33 33 GLN CB C 33 29.730 29.730 28.443 1.287 25943 4391 1 11 . 1 1 33 33 GLN H H 33 8.453 8.453 8.506 -0.053 25943 4392 1 11 . 1 1 34 34 LYS N N 34 121.020 121.020 118.066 2.954 25943 4393 1 11 . 1 1 34 34 LYS HA H 34 4.127 4.127 3.972 0.155 25943 4394 1 11 . 1 1 34 34 LYS CA C 34 57.248 57.248 57.032 0.216 25943 4395 1 11 . 1 1 34 34 LYS CB C 34 31.837 31.837 30.474 1.363 25943 4396 1 11 . 1 1 34 34 LYS H H 34 8.376 8.376 8.293 0.083 25943 4397 1 11 . 1 1 35 35 GLY N N 35 110.370 110.370 106.901 3.469 25943 4398 1 11 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.261 0.738 25943 4399 1 11 . 1 1 35 35 GLY H H 35 8.630 8.630 8.484 0.146 25943 4400 1 11 . 1 1 36 36 CYS N N 36 117.850 117.850 121.614 -3.764 25943 4401 1 11 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.490 0.194 25943 4402 1 11 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.603 -0.111 25943 4403 1 11 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.659 1.260 25943 4404 1 11 . 1 1 36 36 CYS H H 36 7.855 7.855 8.077 -0.222 25943 4405 1 11 . 1 1 37 37 ILE N N 37 125.540 125.540 126.689 -1.149 25943 4406 1 11 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.375 0.229 25943 4407 1 11 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.882 -1.639 25943 4408 1 11 . 1 1 37 37 ILE CB C 37 39.328 39.328 39.575 -0.247 25943 4409 1 11 . 1 1 37 37 ILE H H 37 9.362 9.362 8.463 0.899 25943 4410 1 11 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.454 -0.104 25943 4411 1 11 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.551 -0.306 25943 4412 1 11 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.127 0.333 25943 4413 1 11 . 1 1 39 39 LEU N N 39 120.950 120.950 124.975 -4.025 25943 4414 1 11 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.476 -0.586 25943 4415 1 11 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.788 -0.435 25943 4416 1 11 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.587 0.790 25943 4417 1 11 . 1 1 39 39 LEU H H 39 7.503 7.503 8.169 -0.666 25943 4418 1 11 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.472 -0.122 25943 4419 1 11 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.457 -0.156 25943 4420 1 11 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.641 -0.393 25943 4421 1 11 . 1 1 41 41 ARG N N 41 127.030 127.030 125.106 1.924 25943 4422 1 11 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.975 -0.147 25943 4423 1 11 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.545 1.159 25943 4424 1 11 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.172 0.109 25943 4425 1 11 . 1 1 41 41 ARG H H 41 8.997 8.997 8.775 0.221 25943 4426 1 11 . 1 1 42 42 GLY N N 42 106.770 106.770 105.933 0.837 25943 4427 1 11 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.658 0.847 25943 4428 1 11 . 1 1 42 42 GLY H H 42 8.820 8.820 8.699 0.121 25943 4429 1 11 . 1 1 43 43 GLN N N 43 118.070 118.070 120.735 -2.665 25943 4430 1 11 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.094 -0.080 25943 4431 1 11 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.840 -0.143 25943 4432 1 11 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.748 1.072 25943 4433 1 11 . 1 1 43 43 GLN H H 43 7.724 7.724 7.510 0.214 25943 4434 1 11 . 1 1 44 44 THR N N 44 115.670 115.670 115.076 0.594 25943 4435 1 11 . 1 1 44 44 THR HA H 44 4.220 4.220 3.959 0.261 25943 4436 1 11 . 1 1 44 44 THR CA C 44 67.781 67.781 66.814 0.967 25943 4437 1 11 . 1 1 44 44 THR CB C 44 67.781 67.781 68.367 -0.586 25943 4438 1 11 . 1 1 44 44 THR H H 44 7.641 7.641 7.712 -0.071 25943 4439 1 11 . 1 1 45 45 GLU N N 45 119.340 119.340 122.134 -2.794 25943 4440 1 11 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.120 -0.370 25943 4441 1 11 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.786 1.043 25943 4442 1 11 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.146 0.179 25943 4443 1 11 . 1 1 45 45 GLU H H 45 8.412 8.412 8.347 0.065 25943 4444 1 11 . 1 1 46 46 LYS N N 46 115.700 115.700 118.881 -3.181 25943 4445 1 11 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.181 -0.009 25943 4446 1 11 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.381 0.456 25943 4447 1 11 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.683 0.598 25943 4448 1 11 . 1 1 46 46 LYS H H 46 7.289 7.289 7.689 -0.400 25943 4449 1 11 . 1 1 47 47 ALA N N 47 121.880 121.880 123.598 -1.718 25943 4450 1 11 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.132 0.155 25943 4451 1 11 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.600 0.501 25943 4452 1 11 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.366 0.310 25943 4453 1 11 . 1 1 47 47 ALA H H 47 7.072 7.072 7.667 -0.595 25943 4454 1 11 . 1 1 48 48 ASP N N 48 121.440 121.440 122.803 -1.363 25943 4455 1 11 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.422 0.241 25943 4456 1 11 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.013 -0.967 25943 4457 1 11 . 1 1 48 48 ASP CB C 48 39.703 39.703 41.828 -2.125 25943 4458 1 11 . 1 1 48 48 ASP H H 48 8.654 8.654 8.141 0.513 25943 4459 1 11 . 1 1 49 49 HIS N N 49 112.540 112.540 119.325 -6.785 25943 4460 1 11 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.267 -0.295 25943 4461 1 11 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.770 0.506 25943 4462 1 11 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.392 -0.651 25943 4463 1 11 . 1 1 49 49 HIS H H 49 8.316 8.316 8.271 0.045 25943 4464 1 11 . 1 1 50 50 VAL N N 50 117.460 117.460 120.104 -2.644 25943 4465 1 11 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.746 -0.069 25943 4466 1 11 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.894 -1.071 25943 4467 1 11 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.445 0.358 25943 4468 1 11 . 1 1 50 50 VAL H H 50 7.610 7.610 8.195 -0.585 25943 4469 1 11 . 1 1 51 51 ASP N N 51 121.430 121.430 119.324 2.106 25943 4470 1 11 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.358 0.077 25943 4471 1 11 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.443 -0.851 25943 4472 1 11 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.052 -0.637 25943 4473 1 11 . 1 1 51 51 ASP H H 51 8.490 8.490 8.275 0.215 25943 4474 1 11 . 1 1 52 52 LEU N N 52 121.030 121.030 120.819 0.211 25943 4475 1 11 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.976 -0.009 25943 4476 1 11 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.184 -0.507 25943 4477 1 11 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.629 0.079 25943 4478 1 11 . 1 1 52 52 LEU H H 52 8.649 8.649 8.476 0.173 25943 4479 1 11 . 1 1 53 53 ALA N N 53 120.440 120.440 119.106 1.334 25943 4480 1 11 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.023 -0.088 25943 4481 1 11 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.972 0.625 25943 4482 1 11 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.257 -0.163 25943 4483 1 11 . 1 1 53 53 ALA H H 53 7.423 7.423 7.632 -0.209 25943 4484 1 11 . 1 1 54 54 THR N N 54 113.210 113.210 116.321 -3.111 25943 4485 1 11 . 1 1 54 54 THR HA H 54 3.712 3.712 4.089 -0.377 25943 4486 1 11 . 1 1 54 54 THR CA C 54 66.864 66.864 66.671 0.193 25943 4487 1 11 . 1 1 54 54 THR CB C 54 68.868 68.868 68.757 0.111 25943 4488 1 11 . 1 1 54 54 THR H H 54 7.683 7.683 7.548 0.135 25943 4489 1 11 . 1 1 55 55 LEU N N 55 122.800 122.800 123.580 -0.780 25943 4490 1 11 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.291 -0.117 25943 4491 1 11 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.016 0.387 25943 4492 1 11 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.856 1.182 25943 4493 1 11 . 1 1 55 55 LEU H H 55 8.314 8.314 8.164 0.150 25943 4494 1 11 . 1 1 56 56 MET N N 56 115.790 115.790 119.372 -3.582 25943 4495 1 11 . 1 1 56 56 MET HA H 56 3.831 3.831 4.109 -0.278 25943 4496 1 11 . 1 1 56 56 MET CA C 56 60.849 60.849 59.387 1.462 25943 4497 1 11 . 1 1 56 56 MET CB C 56 34.668 34.668 32.589 2.079 25943 4498 1 11 . 1 1 56 56 MET H H 56 8.379 8.379 7.626 0.753 25943 4499 1 11 . 1 1 57 57 ILE N N 57 120.370 120.370 119.208 1.162 25943 4500 1 11 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.682 -0.245 25943 4501 1 11 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.776 0.074 25943 4502 1 11 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.899 0.453 25943 4503 1 11 . 1 1 57 57 ILE H H 57 8.007 8.007 7.748 0.259 25943 4504 1 11 . 1 1 58 58 ASP N N 58 122.569 122.569 120.445 2.124 25943 4505 1 11 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.400 -0.053 25943 4506 1 11 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.474 -0.812 25943 4507 1 11 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.398 -3.488 25943 4508 1 11 . 1 1 58 58 ASP H H 58 9.271 9.271 8.079 1.192 25943 4509 1 11 . 1 1 59 59 PHE N N 59 114.340 114.340 117.720 -3.380 25943 4510 1 11 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.422 -0.198 25943 4511 1 11 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.469 0.907 25943 4512 1 11 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.371 1.159 25943 4513 1 11 . 1 1 59 59 PHE H H 59 8.025 8.025 8.265 -0.240 25943 4514 1 11 . 1 1 60 60 ASN N N 60 112.830 112.830 114.875 -2.045 25943 4515 1 11 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.785 -0.653 25943 4516 1 11 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.792 0.822 25943 4517 1 11 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.778 2.182 25943 4518 1 11 . 1 1 60 60 ASN H H 60 7.601 7.601 7.790 -0.189 25943 4519 1 11 . 1 1 61 61 GLY N N 61 110.840 110.840 107.301 3.539 25943 4520 1 11 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.652 0.090 25943 4521 1 11 . 1 1 61 61 GLY H H 61 8.626 8.626 7.355 1.271 25943 4522 1 11 . 1 1 62 62 GLU N N 62 117.990 117.990 122.061 -4.071 25943 4523 1 11 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.982 -0.050 25943 4524 1 11 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.385 2.354 25943 4525 1 11 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.636 0.612 25943 4526 1 11 . 1 1 62 62 GLU H H 62 8.841 8.841 8.875 -0.034 25943 4527 1 11 . 1 1 63 63 GLU N N 63 118.090 118.090 119.612 -1.522 25943 4528 1 11 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.192 -0.164 25943 4529 1 11 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.216 1.536 25943 4530 1 11 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.177 -0.853 25943 4531 1 11 . 1 1 63 63 GLU H H 63 8.535 8.535 8.530 0.005 25943 4532 1 11 . 1 1 64 64 LYS N N 64 119.720 119.720 119.896 -0.176 25943 4533 1 11 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.172 -0.090 25943 4534 1 11 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.744 0.440 25943 4535 1 11 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.429 -0.671 25943 4536 1 11 . 1 1 64 64 LYS H H 64 9.107 9.107 8.133 0.974 25943 4537 1 11 . 1 1 65 65 ALA N N 65 120.030 120.030 121.857 -1.827 25943 4538 1 11 . 1 1 65 65 ALA HA H 65 3.918 3.918 3.985 -0.067 25943 4539 1 11 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.051 0.883 25943 4540 1 11 . 1 1 65 65 ALA CB C 65 19.589 19.589 17.808 1.781 25943 4541 1 11 . 1 1 65 65 ALA H H 65 8.179 8.179 8.005 0.174 25943 4542 1 11 . 1 1 66 66 TRP N N 66 116.210 116.210 118.801 -2.591 25943 4543 1 11 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.217 -0.243 25943 4544 1 11 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.639 0.663 25943 4545 1 11 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.296 -0.341 25943 4546 1 11 . 1 1 66 66 TRP H H 66 7.900 7.900 7.587 0.313 25943 4547 1 11 . 1 1 67 67 ALA N N 67 119.640 119.640 121.850 -2.210 25943 4548 1 11 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.045 -0.014 25943 4549 1 11 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.141 0.471 25943 4550 1 11 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.233 -0.127 25943 4551 1 11 . 1 1 67 67 ALA H H 67 7.754 7.754 7.699 0.055 25943 4552 1 11 . 1 1 68 68 MET N N 68 118.260 118.260 117.019 1.241 25943 4553 1 11 . 1 1 68 68 MET HA H 68 4.262 4.262 4.325 -0.063 25943 4554 1 11 . 1 1 68 68 MET CA C 68 58.647 58.647 56.849 1.798 25943 4555 1 11 . 1 1 68 68 MET CB C 68 34.369 34.369 31.779 2.590 25943 4556 1 11 . 1 1 68 68 MET H H 68 8.500 8.500 7.971 0.529 25943 4557 1 11 . 1 1 69 69 ALA N N 69 120.358 120.358 122.651 -2.293 25943 4558 1 11 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.764 -0.191 25943 4559 1 11 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.146 0.483 25943 4560 1 11 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.446 -0.733 25943 4561 1 11 . 1 1 69 69 ALA H H 69 7.922 7.922 8.171 -0.249 25943 4562 1 11 . 1 1 70 70 VAL N N 70 114.916 114.916 115.649 -0.733 25943 4563 1 11 . 1 1 70 70 VAL HA H 70 3.403 3.403 4.207 -0.804 25943 4564 1 11 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.717 2.217 25943 4565 1 11 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.608 0.680 25943 4566 1 11 . 1 1 70 70 VAL H H 70 8.202 8.202 8.132 0.070 25943 4567 1 11 . 1 1 71 71 TRP N N 71 118.400 118.400 121.810 -3.410 25943 4568 1 11 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.410 -0.273 25943 4569 1 11 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.371 0.891 25943 4570 1 11 . 1 1 71 71 TRP CB C 71 29.242 29.242 30.156 -0.914 25943 4571 1 11 . 1 1 71 71 TRP H H 71 7.806 7.806 7.810 -0.004 25943 4572 1 11 . 1 1 72 72 ILE N N 72 119.430 119.430 120.641 -1.211 25943 4573 1 11 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.416 -0.294 25943 4574 1 11 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.418 1.445 25943 4575 1 11 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.884 -1.214 25943 4576 1 11 . 1 1 72 72 ILE H H 72 8.654 8.654 8.180 0.474 25943 4577 1 11 . 1 1 73 73 PHE N N 73 118.760 118.760 118.143 0.617 25943 4578 1 11 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.146 0.368 25943 4579 1 11 . 1 1 73 73 PHE CA C 73 59.154 59.154 60.544 -1.390 25943 4580 1 11 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.493 -0.172 25943 4581 1 11 . 1 1 73 73 PHE H H 73 9.015 9.015 7.096 1.919 25943 4582 1 11 . 1 1 74 74 ALA N N 74 118.190 118.190 120.205 -2.015 25943 4583 1 11 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.932 -0.271 25943 4584 1 11 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.623 0.539 25943 4585 1 11 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.574 -0.423 25943 4586 1 11 . 1 1 74 74 ALA H H 74 7.363 7.363 7.768 -0.405 25943 4587 1 11 . 1 1 75 75 ALA N N 75 122.920 122.920 121.468 1.452 25943 4588 1 11 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.965 -0.230 25943 4589 1 11 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.212 0.414 25943 4590 1 11 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.354 -0.777 25943 4591 1 11 . 1 1 75 75 ALA H H 75 7.640 7.640 7.355 0.285 25943 4592 1 11 . 1 1 76 76 ILE N N 76 108.850 108.850 112.908 -4.058 25943 4593 1 11 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.136 0.360 25943 4594 1 11 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.766 -0.088 25943 4595 1 11 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.743 0.649 25943 4596 1 11 . 1 1 76 76 ILE H H 76 7.901 7.901 7.474 0.427 25943 4597 1 11 . 1 1 77 77 ASN N N 77 116.232 116.232 115.334 0.898 25943 4598 1 11 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.330 -0.072 25943 4599 1 11 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.824 0.246 25943 4600 1 11 . 1 1 77 77 ASN CB C 77 36.918 36.918 36.990 -0.072 25943 4601 1 11 . 1 1 77 77 ASN H H 77 7.865 7.865 7.819 0.046 25943 4602 1 11 . 1 1 78 78 ARG N N 78 118.810 118.810 120.667 -1.857 25943 4603 1 11 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.408 0.560 25943 4604 1 11 . 1 1 78 78 ARG CA C 78 50.923 50.923 54.391 -3.468 25943 4605 1 11 . 1 1 78 78 ARG CB C 78 26.617 26.617 29.110 -2.494 25943 4606 1 11 . 1 1 78 78 ARG H H 78 8.325 8.325 7.804 0.521 25943 4607 1 11 . 1 1 79 79 ARG N N 79 122.270 122.270 121.430 0.840 25943 4608 1 11 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.012 -0.101 25943 4609 1 11 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.582 -0.388 25943 4610 1 11 . 1 1 79 79 ARG CB C 79 29.558 29.558 30.051 -0.493 25943 4611 1 11 . 1 1 79 79 ARG H H 79 8.171 8.171 7.729 0.442 25943 4612 1 11 . 1 1 80 80 ASP N N 80 117.180 117.180 119.216 -2.036 25943 4613 1 11 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.379 -0.520 25943 4614 1 11 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.387 -1.222 25943 4615 1 11 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.221 -1.849 25943 4616 1 11 . 1 1 80 80 ASP H H 80 9.124 9.124 8.438 0.686 25943 4617 1 11 . 1 1 81 81 LEU N N 81 120.540 120.540 119.352 1.188 25943 4618 1 11 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.025 -0.186 25943 4619 1 11 . 1 1 81 81 LEU CA C 81 56.763 56.763 56.957 -0.194 25943 4620 1 11 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.907 -1.618 25943 4621 1 11 . 1 1 81 81 LEU H H 81 7.267 7.267 7.671 -0.404 25943 4622 1 11 . 1 1 82 82 TYR N N 82 119.140 119.140 119.652 -0.512 25943 4623 1 11 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.162 -0.003 25943 4624 1 11 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.522 0.717 25943 4625 1 11 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.250 0.441 25943 4626 1 11 . 1 1 82 82 TYR H H 82 8.041 8.041 7.972 0.069 25943 4627 1 11 . 1 1 83 83 GLU N N 83 115.620 115.620 118.120 -2.500 25943 4628 1 11 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.868 -0.172 25943 4629 1 11 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.006 0.074 25943 4630 1 11 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.514 -0.377 25943 4631 1 11 . 1 1 83 83 GLU H H 83 8.194 8.194 7.699 0.495 25943 4632 1 11 . 1 1 84 84 LYS N N 84 118.080 118.080 118.829 -0.749 25943 4633 1 11 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.165 -0.248 25943 4634 1 11 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.080 1.684 25943 4635 1 11 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.012 1.362 25943 4636 1 11 . 1 1 84 84 LYS H H 84 7.446 7.446 7.406 0.040 25943 4637 1 11 . 1 1 85 85 ALA N N 85 120.470 120.470 122.478 -2.008 25943 4638 1 11 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.041 0.082 25943 4639 1 11 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.955 0.155 25943 4640 1 11 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.112 0.270 25943 4641 1 11 . 1 1 85 85 ALA H H 85 8.651 8.651 8.498 0.153 25943 4642 1 11 . 1 1 86 86 LYS N N 86 117.610 117.610 117.141 0.469 25943 4643 1 11 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.891 0.119 25943 4644 1 11 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.310 0.859 25943 4645 1 11 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.111 -0.320 25943 4646 1 11 . 1 1 86 86 LYS H H 86 8.059 8.059 7.431 0.628 25943 4647 1 11 . 1 1 87 87 ARG N N 87 116.900 116.900 117.674 -0.774 25943 4648 1 11 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.185 -0.020 25943 4649 1 11 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.451 -0.751 25943 4650 1 11 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.811 -0.495 25943 4651 1 11 . 1 1 87 87 ARG H H 87 7.196 7.196 7.801 -0.605 25943 4652 1 11 . 1 1 88 88 ASP N N 88 119.290 119.290 117.246 2.044 25943 4653 1 11 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.646 0.048 25943 4654 1 11 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.449 -0.780 25943 4655 1 11 . 1 1 88 88 ASP CB C 88 42.419 42.419 42.012 0.407 25943 4656 1 11 . 1 1 88 88 ASP H H 88 7.507 7.507 7.505 0.002 25943 4657 1 11 . 1 1 89 89 GLU N N 89 119.970 119.970 120.426 -0.456 25943 4658 1 11 . 1 1 89 89 GLU HA H 89 3.404 3.404 3.869 -0.465 25943 4659 1 11 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.625 -0.190 25943 4660 1 11 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.188 -0.967 25943 4661 1 11 . 1 1 89 89 GLU H H 89 7.337 7.337 7.279 0.058 25943 4662 1 11 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.288 -0.082 25943 4663 1 11 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.760 0.496 25943 4664 1 11 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.157 -0.364 25943 4665 1 12 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.613 -0.457 25943 4666 1 12 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.810 -0.107 25943 4667 1 12 . 1 1 2 2 ALA CB C 2 19.641 19.641 20.154 -0.513 25943 4668 1 12 . 1 1 3 3 SER N N 3 115.850 115.850 117.613 -1.763 25943 4669 1 12 . 1 1 3 3 SER HA H 3 4.696 4.696 4.530 0.166 25943 4670 1 12 . 1 1 3 3 SER CA C 3 57.756 57.756 58.010 -0.254 25943 4671 1 12 . 1 1 3 3 SER CB C 3 64.325 64.325 64.531 -0.206 25943 4672 1 12 . 1 1 3 3 SER H H 3 8.757 8.757 8.316 0.441 25943 4673 1 12 . 1 1 4 4 THR N N 4 118.590 118.590 123.050 -4.460 25943 4674 1 12 . 1 1 4 4 THR HA H 4 4.213 4.213 4.239 -0.026 25943 4675 1 12 . 1 1 4 4 THR CA C 4 64.714 64.714 64.844 -0.130 25943 4676 1 12 . 1 1 4 4 THR CB C 4 68.864 68.864 69.062 -0.198 25943 4677 1 12 . 1 1 4 4 THR H H 4 8.854 8.854 8.808 0.046 25943 4678 1 12 . 1 1 5 5 ARG N N 5 122.240 122.240 121.700 0.540 25943 4679 1 12 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.016 -0.047 25943 4680 1 12 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.135 -0.876 25943 4681 1 12 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.882 0.389 25943 4682 1 12 . 1 1 5 5 ARG H H 5 8.535 8.535 8.029 0.506 25943 4683 1 12 . 1 1 6 6 CYS N N 6 118.400 118.400 116.381 2.019 25943 4684 1 12 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.197 0.050 25943 4685 1 12 . 1 1 6 6 CYS CA C 6 61.224 61.224 63.673 -2.449 25943 4686 1 12 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.528 -0.325 25943 4687 1 12 . 1 1 6 6 CYS H H 6 8.174 8.174 7.992 0.182 25943 4688 1 12 . 1 1 7 7 LYS N N 7 123.084 123.084 120.836 2.248 25943 4689 1 12 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.071 -0.003 25943 4690 1 12 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.700 -0.016 25943 4691 1 12 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.436 0.401 25943 4692 1 12 . 1 1 7 7 LYS H H 7 8.395 8.395 7.429 0.966 25943 4693 1 12 . 1 1 8 8 LEU N N 8 120.110 120.110 119.759 0.351 25943 4694 1 12 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.137 -0.163 25943 4695 1 12 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.790 0.448 25943 4696 1 12 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.986 -0.532 25943 4697 1 12 . 1 1 8 8 LEU H H 8 8.546 8.546 8.574 -0.028 25943 4698 1 12 . 1 1 9 9 ALA N N 9 118.910 118.910 120.098 -1.188 25943 4699 1 12 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.123 -0.247 25943 4700 1 12 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.547 1.089 25943 4701 1 12 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.436 0.139 25943 4702 1 12 . 1 1 9 9 ALA H H 9 8.076 8.076 7.879 0.197 25943 4703 1 12 . 1 1 10 10 ARG N N 10 116.760 116.760 119.287 -2.527 25943 4704 1 12 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.006 -0.054 25943 4705 1 12 . 1 1 10 10 ARG CA C 10 58.710 58.710 58.914 -0.204 25943 4706 1 12 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.063 -0.339 25943 4707 1 12 . 1 1 10 10 ARG H H 10 7.556 7.556 7.769 -0.213 25943 4708 1 12 . 1 1 11 11 TYR N N 11 117.102 117.102 119.071 -1.969 25943 4709 1 12 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.575 -0.228 25943 4710 1 12 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.307 0.391 25943 4711 1 12 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.764 -0.456 25943 4712 1 12 . 1 1 11 11 TYR H H 11 7.510 7.510 7.922 -0.412 25943 4713 1 12 . 1 1 12 12 LEU N N 12 116.791 116.791 118.669 -1.878 25943 4714 1 12 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.921 -0.024 25943 4715 1 12 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.590 -0.014 25943 4716 1 12 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.137 -0.191 25943 4717 1 12 . 1 1 12 12 LEU H H 12 7.893 7.893 7.770 0.123 25943 4718 1 12 . 1 1 13 13 GLU N N 13 117.866 117.866 116.834 1.032 25943 4719 1 12 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.130 -0.882 25943 4720 1 12 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.990 -0.324 25943 4721 1 12 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.620 -1.367 25943 4722 1 12 . 1 1 13 13 GLU H H 13 7.975 7.975 7.519 0.456 25943 4723 1 12 . 1 1 14 14 ASP N N 14 116.190 116.190 117.394 -1.204 25943 4724 1 12 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.519 0.118 25943 4725 1 12 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.786 -0.651 25943 4726 1 12 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.855 -2.201 25943 4727 1 12 . 1 1 14 14 ASP H H 14 7.293 7.293 7.930 -0.637 25943 4728 1 12 . 1 1 15 15 LEU N N 15 119.530 119.530 119.674 -0.144 25943 4729 1 12 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.336 -0.027 25943 4730 1 12 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.106 0.583 25943 4731 1 12 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.595 -0.665 25943 4732 1 12 . 1 1 15 15 LEU H H 15 7.301 7.301 7.205 0.096 25943 4733 1 12 . 1 1 16 16 GLU N N 16 121.840 121.840 121.718 0.122 25943 4734 1 12 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.110 0.406 25943 4735 1 12 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.184 -0.378 25943 4736 1 12 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.379 -2.147 25943 4737 1 12 . 1 1 16 16 GLU H H 16 8.837 8.837 8.541 0.296 25943 4738 1 12 . 1 1 17 17 ASP N N 17 122.070 122.070 122.656 -0.586 25943 4739 1 12 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.311 0.038 25943 4740 1 12 . 1 1 17 17 ASP CA C 17 58.768 58.768 58.058 0.710 25943 4741 1 12 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.816 -0.458 25943 4742 1 12 . 1 1 17 17 ASP H H 17 8.951 8.951 8.879 0.072 25943 4743 1 12 . 1 1 18 18 VAL N N 18 118.150 118.150 115.388 2.762 25943 4744 1 12 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.811 0.048 25943 4745 1 12 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.634 0.352 25943 4746 1 12 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.465 0.078 25943 4747 1 12 . 1 1 18 18 VAL H H 18 8.613 8.613 7.854 0.759 25943 4748 1 12 . 1 1 19 19 ASP N N 19 120.600 120.600 119.433 1.167 25943 4749 1 12 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.438 0.268 25943 4750 1 12 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.118 -0.298 25943 4751 1 12 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.012 1.846 25943 4752 1 12 . 1 1 19 19 ASP H H 19 7.358 7.358 8.122 -0.764 25943 4753 1 12 . 1 1 20 20 LEU N N 20 123.020 123.020 121.820 1.200 25943 4754 1 12 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.068 0.079 25943 4755 1 12 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.766 0.350 25943 4756 1 12 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.910 -0.991 25943 4757 1 12 . 1 1 20 20 LEU H H 20 8.635 8.635 8.304 0.331 25943 4758 1 12 . 1 1 21 21 LYS N N 21 119.120 119.120 118.597 0.523 25943 4759 1 12 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.915 0.117 25943 4760 1 12 . 1 1 21 21 LYS CA C 21 60.340 60.340 60.061 0.279 25943 4761 1 12 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.167 0.124 25943 4762 1 12 . 1 1 21 21 LYS H H 21 7.914 7.914 7.972 -0.058 25943 4763 1 12 . 1 1 22 22 LYS N N 22 118.660 118.660 119.546 -0.886 25943 4764 1 12 . 1 1 22 22 LYS HA H 22 4.180 4.180 3.883 0.297 25943 4765 1 12 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.958 1.221 25943 4766 1 12 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.020 1.595 25943 4767 1 12 . 1 1 22 22 LYS H H 22 7.715 7.715 7.383 0.332 25943 4768 1 12 . 1 1 23 23 PHE N N 23 123.360 123.360 120.773 2.587 25943 4769 1 12 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.137 -0.166 25943 4770 1 12 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.358 0.032 25943 4771 1 12 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.230 1.223 25943 4772 1 12 . 1 1 23 23 PHE H H 23 9.148 9.148 7.607 1.541 25943 4773 1 12 . 1 1 24 24 LYS N N 24 117.660 117.660 119.778 -2.118 25943 4774 1 12 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.082 -0.307 25943 4775 1 12 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.248 1.968 25943 4776 1 12 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.184 1.123 25943 4777 1 12 . 1 1 24 24 LYS H H 24 8.750 8.750 7.632 1.118 25943 4778 1 12 . 1 1 25 25 MET N N 25 118.140 118.140 119.197 -1.057 25943 4779 1 12 . 1 1 25 25 MET HA H 25 3.955 3.955 4.394 -0.439 25943 4780 1 12 . 1 1 25 25 MET CA C 25 59.261 59.261 58.523 0.738 25943 4781 1 12 . 1 1 25 25 MET CB C 25 32.276 32.276 32.854 -0.578 25943 4782 1 12 . 1 1 25 25 MET H H 25 8.005 8.005 7.801 0.204 25943 4783 1 12 . 1 1 26 26 HIS N N 26 114.610 114.610 116.927 -2.317 25943 4784 1 12 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.299 0.022 25943 4785 1 12 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.292 0.916 25943 4786 1 12 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.458 0.114 25943 4787 1 12 . 1 1 26 26 HIS H H 26 7.779 7.779 8.091 -0.312 25943 4788 1 12 . 1 1 27 27 LEU N N 27 119.460 119.460 118.456 1.004 25943 4789 1 12 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.063 -0.062 25943 4790 1 12 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.066 0.680 25943 4791 1 12 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.175 0.731 25943 4792 1 12 . 1 1 27 27 LEU H H 27 7.954 7.954 7.697 0.257 25943 4793 1 12 . 1 1 28 28 GLU N N 28 116.810 116.810 118.510 -1.700 25943 4794 1 12 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.111 0.192 25943 4795 1 12 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.676 -1.436 25943 4796 1 12 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.690 -1.189 25943 4797 1 12 . 1 1 28 28 GLU H H 28 7.870 7.870 7.666 0.204 25943 4798 1 12 . 1 1 29 29 ASP N N 29 116.732 116.732 120.090 -3.358 25943 4799 1 12 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.564 0.304 25943 4800 1 12 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.761 -1.634 25943 4801 1 12 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.361 -1.431 25943 4802 1 12 . 1 1 29 29 ASP H H 29 7.548 7.548 7.615 -0.067 25943 4803 1 12 . 1 1 30 30 TYR N N 30 125.460 125.460 122.206 3.254 25943 4804 1 12 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.521 -0.187 25943 4805 1 12 . 1 1 30 30 TYR CA C 30 58.750 58.750 55.810 2.940 25943 4806 1 12 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.567 0.482 25943 4807 1 12 . 1 1 30 30 TYR H H 30 6.837 6.837 7.805 -0.968 25943 4808 1 12 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.456 0.077 25943 4809 1 12 . 1 1 32 32 PRO CA C 32 63.322 63.322 63.098 0.224 25943 4810 1 12 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.133 -0.804 25943 4811 1 12 . 1 1 33 33 GLN N N 33 120.060 120.060 123.083 -3.023 25943 4812 1 12 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.247 0.040 25943 4813 1 12 . 1 1 33 33 GLN CA C 33 56.012 56.012 55.684 0.328 25943 4814 1 12 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.454 0.275 25943 4815 1 12 . 1 1 33 33 GLN H H 33 8.453 8.453 8.722 -0.269 25943 4816 1 12 . 1 1 34 34 LYS N N 34 121.020 121.020 117.087 3.933 25943 4817 1 12 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.115 0.012 25943 4818 1 12 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.787 0.461 25943 4819 1 12 . 1 1 34 34 LYS CB C 34 31.837 31.837 30.938 0.899 25943 4820 1 12 . 1 1 34 34 LYS H H 34 8.376 8.376 8.334 0.042 25943 4821 1 12 . 1 1 35 35 GLY N N 35 110.370 110.370 106.506 3.864 25943 4822 1 12 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.251 0.748 25943 4823 1 12 . 1 1 35 35 GLY H H 35 8.630 8.630 8.400 0.230 25943 4824 1 12 . 1 1 36 36 CYS N N 36 117.850 117.850 119.610 -1.760 25943 4825 1 12 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.740 -0.056 25943 4826 1 12 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.852 -0.360 25943 4827 1 12 . 1 1 36 36 CYS CB C 36 29.919 29.919 29.120 0.798 25943 4828 1 12 . 1 1 36 36 CYS H H 36 7.855 7.855 7.939 -0.084 25943 4829 1 12 . 1 1 37 37 ILE N N 37 125.540 125.540 126.723 -1.183 25943 4830 1 12 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.306 0.298 25943 4831 1 12 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.707 -1.464 25943 4832 1 12 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.396 0.932 25943 4833 1 12 . 1 1 37 37 ILE H H 37 9.362 9.362 8.541 0.821 25943 4834 1 12 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.444 -0.094 25943 4835 1 12 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.696 -0.451 25943 4836 1 12 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.103 0.357 25943 4837 1 12 . 1 1 39 39 LEU N N 39 120.950 120.950 125.883 -4.933 25943 4838 1 12 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.430 -0.540 25943 4839 1 12 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.791 -0.438 25943 4840 1 12 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.439 -0.061 25943 4841 1 12 . 1 1 39 39 LEU H H 39 7.503 7.503 8.206 -0.703 25943 4842 1 12 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.416 -0.066 25943 4843 1 12 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.703 -0.403 25943 4844 1 12 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.559 -0.311 25943 4845 1 12 . 1 1 41 41 ARG N N 41 127.030 127.030 124.927 2.103 25943 4846 1 12 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.088 -0.260 25943 4847 1 12 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.765 0.939 25943 4848 1 12 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.125 0.156 25943 4849 1 12 . 1 1 41 41 ARG H H 41 8.997 8.997 8.612 0.385 25943 4850 1 12 . 1 1 42 42 GLY N N 42 106.770 106.770 105.785 0.985 25943 4851 1 12 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.765 0.740 25943 4852 1 12 . 1 1 42 42 GLY H H 42 8.820 8.820 8.726 0.094 25943 4853 1 12 . 1 1 43 43 GLN N N 43 118.070 118.070 120.494 -2.424 25943 4854 1 12 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.172 -0.158 25943 4855 1 12 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.567 0.130 25943 4856 1 12 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.318 1.502 25943 4857 1 12 . 1 1 43 43 GLN H H 43 7.724 7.724 7.452 0.272 25943 4858 1 12 . 1 1 44 44 THR N N 44 115.670 115.670 114.954 0.716 25943 4859 1 12 . 1 1 44 44 THR HA H 44 4.220 4.220 3.994 0.226 25943 4860 1 12 . 1 1 44 44 THR CA C 44 67.781 67.781 65.768 2.013 25943 4861 1 12 . 1 1 44 44 THR CB C 44 67.781 67.781 68.551 -0.770 25943 4862 1 12 . 1 1 44 44 THR H H 44 7.641 7.641 7.564 0.077 25943 4863 1 12 . 1 1 45 45 GLU N N 45 119.340 119.340 119.460 -0.120 25943 4864 1 12 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.135 -0.385 25943 4865 1 12 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.604 1.225 25943 4866 1 12 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.287 0.038 25943 4867 1 12 . 1 1 45 45 GLU H H 45 8.412 8.412 7.948 0.464 25943 4868 1 12 . 1 1 46 46 LYS N N 46 115.700 115.700 118.449 -2.749 25943 4869 1 12 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.223 -0.051 25943 4870 1 12 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.463 0.374 25943 4871 1 12 . 1 1 46 46 LYS CB C 46 33.281 33.281 33.186 0.095 25943 4872 1 12 . 1 1 46 46 LYS H H 46 7.289 7.289 7.657 -0.368 25943 4873 1 12 . 1 1 47 47 ALA N N 47 121.880 121.880 124.075 -2.195 25943 4874 1 12 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.159 0.128 25943 4875 1 12 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.212 0.889 25943 4876 1 12 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.631 0.045 25943 4877 1 12 . 1 1 47 47 ALA H H 47 7.072 7.072 7.721 -0.649 25943 4878 1 12 . 1 1 48 48 ASP N N 48 121.440 121.440 126.070 -4.630 25943 4879 1 12 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.761 -0.098 25943 4880 1 12 . 1 1 48 48 ASP CA C 48 52.046 52.046 54.063 -2.017 25943 4881 1 12 . 1 1 48 48 ASP CB C 48 39.703 39.703 43.079 -3.376 25943 4882 1 12 . 1 1 48 48 ASP H H 48 8.654 8.654 8.939 -0.285 25943 4883 1 12 . 1 1 49 49 HIS N N 49 112.540 112.540 119.472 -6.932 25943 4884 1 12 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.250 -0.278 25943 4885 1 12 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.393 0.883 25943 4886 1 12 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.048 -0.307 25943 4887 1 12 . 1 1 49 49 HIS H H 49 8.316 8.316 9.210 -0.894 25943 4888 1 12 . 1 1 50 50 VAL N N 50 117.460 117.460 120.687 -3.227 25943 4889 1 12 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.557 0.120 25943 4890 1 12 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.070 -0.247 25943 4891 1 12 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.210 0.593 25943 4892 1 12 . 1 1 50 50 VAL H H 50 7.610 7.610 7.322 0.288 25943 4893 1 12 . 1 1 51 51 ASP N N 51 121.430 121.430 118.613 2.817 25943 4894 1 12 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.312 0.123 25943 4895 1 12 . 1 1 51 51 ASP CA C 51 56.592 56.592 56.644 -0.052 25943 4896 1 12 . 1 1 51 51 ASP CB C 51 39.415 39.415 39.691 -0.276 25943 4897 1 12 . 1 1 51 51 ASP H H 51 8.490 8.490 8.057 0.433 25943 4898 1 12 . 1 1 52 52 LEU N N 52 121.030 121.030 121.273 -0.243 25943 4899 1 12 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.935 0.032 25943 4900 1 12 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.340 -0.663 25943 4901 1 12 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.737 -0.029 25943 4902 1 12 . 1 1 52 52 LEU H H 52 8.649 8.649 8.368 0.281 25943 4903 1 12 . 1 1 53 53 ALA N N 53 120.440 120.440 118.653 1.787 25943 4904 1 12 . 1 1 53 53 ALA HA H 53 3.935 3.935 3.975 -0.040 25943 4905 1 12 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.836 0.763 25943 4906 1 12 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.259 -0.165 25943 4907 1 12 . 1 1 53 53 ALA H H 53 7.423 7.423 7.562 -0.139 25943 4908 1 12 . 1 1 54 54 THR N N 54 113.210 113.210 116.342 -3.132 25943 4909 1 12 . 1 1 54 54 THR HA H 54 3.712 3.712 4.032 -0.320 25943 4910 1 12 . 1 1 54 54 THR CA C 54 66.864 66.864 66.705 0.159 25943 4911 1 12 . 1 1 54 54 THR CB C 54 68.868 68.868 68.786 0.082 25943 4912 1 12 . 1 1 54 54 THR H H 54 7.683 7.683 7.366 0.317 25943 4913 1 12 . 1 1 55 55 LEU N N 55 122.800 122.800 122.273 0.527 25943 4914 1 12 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.100 0.074 25943 4915 1 12 . 1 1 55 55 LEU CA C 55 58.403 58.403 57.913 0.491 25943 4916 1 12 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.703 1.335 25943 4917 1 12 . 1 1 55 55 LEU H H 55 8.314 8.314 8.543 -0.229 25943 4918 1 12 . 1 1 56 56 MET N N 56 115.790 115.790 119.730 -3.940 25943 4919 1 12 . 1 1 56 56 MET HA H 56 3.831 3.831 4.126 -0.295 25943 4920 1 12 . 1 1 56 56 MET CA C 56 60.849 60.849 59.374 1.475 25943 4921 1 12 . 1 1 56 56 MET CB C 56 34.668 34.668 32.863 1.805 25943 4922 1 12 . 1 1 56 56 MET H H 56 8.379 8.379 7.867 0.512 25943 4923 1 12 . 1 1 57 57 ILE N N 57 120.370 120.370 114.600 5.770 25943 4924 1 12 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.915 -0.478 25943 4925 1 12 . 1 1 57 57 ILE CA C 57 64.850 64.850 63.459 1.391 25943 4926 1 12 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.946 0.406 25943 4927 1 12 . 1 1 57 57 ILE H H 57 8.007 8.007 7.428 0.579 25943 4928 1 12 . 1 1 58 58 ASP N N 58 122.569 122.569 120.130 2.439 25943 4929 1 12 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.352 -0.005 25943 4930 1 12 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.481 -0.819 25943 4931 1 12 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.496 -3.586 25943 4932 1 12 . 1 1 58 58 ASP H H 58 9.271 9.271 7.988 1.283 25943 4933 1 12 . 1 1 59 59 PHE N N 59 114.340 114.340 119.006 -4.666 25943 4934 1 12 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.352 -0.128 25943 4935 1 12 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.196 1.180 25943 4936 1 12 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.766 0.764 25943 4937 1 12 . 1 1 59 59 PHE H H 59 8.025 8.025 8.135 -0.110 25943 4938 1 12 . 1 1 60 60 ASN N N 60 112.830 112.830 116.348 -3.518 25943 4939 1 12 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.726 -0.594 25943 4940 1 12 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.052 1.562 25943 4941 1 12 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.374 2.586 25943 4942 1 12 . 1 1 60 60 ASN H H 60 7.601 7.601 7.935 -0.334 25943 4943 1 12 . 1 1 61 61 GLY N N 61 110.840 110.840 106.115 4.725 25943 4944 1 12 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.560 0.182 25943 4945 1 12 . 1 1 61 61 GLY H H 61 8.626 8.626 7.135 1.491 25943 4946 1 12 . 1 1 62 62 GLU N N 62 117.990 117.990 122.906 -4.916 25943 4947 1 12 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.848 0.084 25943 4948 1 12 . 1 1 62 62 GLU CA C 62 61.739 61.739 60.096 1.643 25943 4949 1 12 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.890 0.357 25943 4950 1 12 . 1 1 62 62 GLU H H 62 8.841 8.841 8.783 0.058 25943 4951 1 12 . 1 1 63 63 GLU N N 63 118.090 118.090 119.343 -1.253 25943 4952 1 12 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.222 -0.194 25943 4953 1 12 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.690 1.062 25943 4954 1 12 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.026 -0.702 25943 4955 1 12 . 1 1 63 63 GLU H H 63 8.535 8.535 8.709 -0.174 25943 4956 1 12 . 1 1 64 64 LYS N N 64 119.720 119.720 120.030 -0.310 25943 4957 1 12 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.113 -0.031 25943 4958 1 12 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.931 0.253 25943 4959 1 12 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.275 -0.517 25943 4960 1 12 . 1 1 64 64 LYS H H 64 9.107 9.107 8.191 0.916 25943 4961 1 12 . 1 1 65 65 ALA N N 65 120.030 120.030 122.322 -2.292 25943 4962 1 12 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.022 -0.104 25943 4963 1 12 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.387 0.547 25943 4964 1 12 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.052 1.537 25943 4965 1 12 . 1 1 65 65 ALA H H 65 8.179 8.179 8.261 -0.082 25943 4966 1 12 . 1 1 66 66 TRP N N 66 116.210 116.210 118.945 -2.735 25943 4967 1 12 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.147 -0.173 25943 4968 1 12 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.816 0.486 25943 4969 1 12 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.158 -0.203 25943 4970 1 12 . 1 1 66 66 TRP H H 66 7.900 7.900 7.557 0.343 25943 4971 1 12 . 1 1 67 67 ALA N N 67 119.640 119.640 121.684 -2.044 25943 4972 1 12 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.066 -0.035 25943 4973 1 12 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.171 0.441 25943 4974 1 12 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.262 -0.157 25943 4975 1 12 . 1 1 67 67 ALA H H 67 7.754 7.754 7.760 -0.006 25943 4976 1 12 . 1 1 68 68 MET N N 68 118.260 118.260 117.063 1.197 25943 4977 1 12 . 1 1 68 68 MET HA H 68 4.262 4.262 4.429 -0.167 25943 4978 1 12 . 1 1 68 68 MET CA C 68 58.647 58.647 57.199 1.448 25943 4979 1 12 . 1 1 68 68 MET CB C 68 34.369 34.369 32.062 2.307 25943 4980 1 12 . 1 1 68 68 MET H H 68 8.500 8.500 7.903 0.597 25943 4981 1 12 . 1 1 69 69 ALA N N 69 120.358 120.358 123.083 -2.725 25943 4982 1 12 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.246 -0.673 25943 4983 1 12 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.289 0.340 25943 4984 1 12 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.499 -0.786 25943 4985 1 12 . 1 1 69 69 ALA H H 69 7.922 7.922 8.425 -0.503 25943 4986 1 12 . 1 1 70 70 VAL N N 70 114.916 114.916 114.899 0.017 25943 4987 1 12 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.680 -0.277 25943 4988 1 12 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.640 2.294 25943 4989 1 12 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.719 0.569 25943 4990 1 12 . 1 1 70 70 VAL H H 70 8.202 8.202 8.248 -0.046 25943 4991 1 12 . 1 1 71 71 TRP N N 71 118.400 118.400 121.907 -3.507 25943 4992 1 12 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.366 -0.229 25943 4993 1 12 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.399 0.863 25943 4994 1 12 . 1 1 71 71 TRP CB C 71 29.242 29.242 30.104 -0.862 25943 4995 1 12 . 1 1 71 71 TRP H H 71 7.806 7.806 7.898 -0.092 25943 4996 1 12 . 1 1 72 72 ILE N N 72 119.430 119.430 118.815 0.615 25943 4997 1 12 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.872 -0.750 25943 4998 1 12 . 1 1 72 72 ILE CA C 72 65.863 65.863 63.814 2.049 25943 4999 1 12 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.322 -0.652 25943 5000 1 12 . 1 1 72 72 ILE H H 72 8.654 8.654 8.130 0.524 25943 5001 1 12 . 1 1 73 73 PHE N N 73 118.760 118.760 119.968 -1.208 25943 5002 1 12 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.173 0.341 25943 5003 1 12 . 1 1 73 73 PHE CA C 73 59.154 59.154 60.763 -1.609 25943 5004 1 12 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.737 -0.416 25943 5005 1 12 . 1 1 73 73 PHE H H 73 9.015 9.015 7.906 1.109 25943 5006 1 12 . 1 1 74 74 ALA N N 74 118.190 118.190 120.112 -1.922 25943 5007 1 12 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.953 -0.292 25943 5008 1 12 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.806 0.356 25943 5009 1 12 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.674 -0.523 25943 5010 1 12 . 1 1 74 74 ALA H H 74 7.363 7.363 7.722 -0.359 25943 5011 1 12 . 1 1 75 75 ALA N N 75 122.920 122.920 121.420 1.500 25943 5012 1 12 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.898 -0.163 25943 5013 1 12 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.037 0.589 25943 5014 1 12 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.416 -0.839 25943 5015 1 12 . 1 1 75 75 ALA H H 75 7.640 7.640 7.107 0.533 25943 5016 1 12 . 1 1 76 76 ILE N N 76 108.850 108.850 114.487 -5.637 25943 5017 1 12 . 1 1 76 76 ILE HA H 76 4.496 4.496 3.984 0.512 25943 5018 1 12 . 1 1 76 76 ILE CA C 76 60.678 60.678 61.347 -0.669 25943 5019 1 12 . 1 1 76 76 ILE CB C 76 37.392 37.392 37.102 0.290 25943 5020 1 12 . 1 1 76 76 ILE H H 76 7.901 7.901 7.366 0.535 25943 5021 1 12 . 1 1 77 77 ASN N N 77 116.232 116.232 117.676 -1.444 25943 5022 1 12 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.336 -0.078 25943 5023 1 12 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.138 0.932 25943 5024 1 12 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.639 -0.721 25943 5025 1 12 . 1 1 77 77 ASN H H 77 7.865 7.865 7.669 0.196 25943 5026 1 12 . 1 1 78 78 ARG N N 78 118.810 118.810 118.388 0.422 25943 5027 1 12 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.574 0.394 25943 5028 1 12 . 1 1 78 78 ARG CA C 78 50.923 50.923 54.964 -4.041 25943 5029 1 12 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.471 -3.854 25943 5030 1 12 . 1 1 78 78 ARG H H 78 8.325 8.325 7.530 0.795 25943 5031 1 12 . 1 1 79 79 ARG N N 79 122.270 122.270 121.127 1.143 25943 5032 1 12 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.080 -0.169 25943 5033 1 12 . 1 1 79 79 ARG CA C 79 59.194 59.194 58.982 0.212 25943 5034 1 12 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.393 0.165 25943 5035 1 12 . 1 1 79 79 ARG H H 79 8.171 8.171 8.475 -0.304 25943 5036 1 12 . 1 1 80 80 ASP N N 80 117.180 117.180 120.926 -3.746 25943 5037 1 12 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.416 -0.557 25943 5038 1 12 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.862 -1.697 25943 5039 1 12 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.104 -1.732 25943 5040 1 12 . 1 1 80 80 ASP H H 80 9.124 9.124 8.372 0.752 25943 5041 1 12 . 1 1 81 81 LEU N N 81 120.540 120.540 119.617 0.923 25943 5042 1 12 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.128 -0.289 25943 5043 1 12 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.127 -0.364 25943 5044 1 12 . 1 1 81 81 LEU CB C 81 40.289 40.289 42.234 -1.945 25943 5045 1 12 . 1 1 81 81 LEU H H 81 7.267 7.267 7.783 -0.516 25943 5046 1 12 . 1 1 82 82 TYR N N 82 119.140 119.140 119.553 -0.413 25943 5047 1 12 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.234 -0.075 25943 5048 1 12 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.573 0.666 25943 5049 1 12 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.393 0.298 25943 5050 1 12 . 1 1 82 82 TYR H H 82 8.041 8.041 8.115 -0.074 25943 5051 1 12 . 1 1 83 83 GLU N N 83 115.620 115.620 119.536 -3.916 25943 5052 1 12 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.813 -0.117 25943 5053 1 12 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.366 -0.286 25943 5054 1 12 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.331 -0.194 25943 5055 1 12 . 1 1 83 83 GLU H H 83 8.194 8.194 7.898 0.296 25943 5056 1 12 . 1 1 84 84 LYS N N 84 118.080 118.080 119.168 -1.088 25943 5057 1 12 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.110 -0.193 25943 5058 1 12 . 1 1 84 84 LYS CA C 84 59.764 59.764 59.004 0.760 25943 5059 1 12 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.673 0.701 25943 5060 1 12 . 1 1 84 84 LYS H H 84 7.446 7.446 7.438 0.008 25943 5061 1 12 . 1 1 85 85 ALA N N 85 120.470 120.470 121.392 -0.922 25943 5062 1 12 . 1 1 85 85 ALA HA H 85 4.123 4.123 3.981 0.142 25943 5063 1 12 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.900 0.210 25943 5064 1 12 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.267 0.115 25943 5065 1 12 . 1 1 85 85 ALA H H 85 8.651 8.651 8.340 0.311 25943 5066 1 12 . 1 1 86 86 LYS N N 86 117.610 117.610 117.729 -0.119 25943 5067 1 12 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.814 0.196 25943 5068 1 12 . 1 1 86 86 LYS CA C 86 59.169 59.169 57.958 1.211 25943 5069 1 12 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.139 -0.348 25943 5070 1 12 . 1 1 86 86 LYS H H 86 8.059 8.059 7.712 0.347 25943 5071 1 12 . 1 1 87 87 ARG N N 87 116.900 116.900 116.263 0.637 25943 5072 1 12 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.140 0.025 25943 5073 1 12 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.487 -0.787 25943 5074 1 12 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.717 -0.401 25943 5075 1 12 . 1 1 87 87 ARG H H 87 7.196 7.196 7.767 -0.571 25943 5076 1 12 . 1 1 88 88 ASP N N 88 119.290 119.290 117.101 2.189 25943 5077 1 12 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.696 -0.002 25943 5078 1 12 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.283 -0.614 25943 5079 1 12 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.745 0.674 25943 5080 1 12 . 1 1 88 88 ASP H H 88 7.507 7.507 7.604 -0.097 25943 5081 1 12 . 1 1 89 89 GLU N N 89 119.970 119.970 121.635 -1.665 25943 5082 1 12 . 1 1 89 89 GLU HA H 89 3.404 3.404 3.967 -0.563 25943 5083 1 12 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.912 -0.477 25943 5084 1 12 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.827 -1.606 25943 5085 1 12 . 1 1 89 89 GLU H H 89 7.337 7.337 7.375 -0.038 25943 5086 1 12 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.422 -0.216 25943 5087 1 12 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.401 0.855 25943 5088 1 12 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.334 -0.541 25943 5089 1 13 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.438 -0.282 25943 5090 1 13 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.861 -0.158 25943 5091 1 13 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.424 0.217 25943 5092 1 13 . 1 1 3 3 SER N N 3 115.850 115.850 115.927 -0.077 25943 5093 1 13 . 1 1 3 3 SER HA H 3 4.696 4.696 4.432 0.264 25943 5094 1 13 . 1 1 3 3 SER CA C 3 57.756 57.756 57.727 0.029 25943 5095 1 13 . 1 1 3 3 SER CB C 3 64.325 64.325 64.482 -0.157 25943 5096 1 13 . 1 1 3 3 SER H H 3 8.757 8.757 8.646 0.111 25943 5097 1 13 . 1 1 4 4 THR N N 4 118.590 118.590 121.589 -2.999 25943 5098 1 13 . 1 1 4 4 THR HA H 4 4.213 4.213 4.104 0.109 25943 5099 1 13 . 1 1 4 4 THR CA C 4 64.714 64.714 65.342 -0.628 25943 5100 1 13 . 1 1 4 4 THR CB C 4 68.864 68.864 68.937 -0.073 25943 5101 1 13 . 1 1 4 4 THR H H 4 8.854 8.854 8.719 0.135 25943 5102 1 13 . 1 1 5 5 ARG N N 5 122.240 122.240 121.580 0.660 25943 5103 1 13 . 1 1 5 5 ARG HA H 5 3.969 3.969 3.887 0.082 25943 5104 1 13 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.860 -0.601 25943 5105 1 13 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.664 0.607 25943 5106 1 13 . 1 1 5 5 ARG H H 5 8.535 8.535 7.790 0.745 25943 5107 1 13 . 1 1 6 6 CYS N N 6 118.400 118.400 116.258 2.142 25943 5108 1 13 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.251 -0.004 25943 5109 1 13 . 1 1 6 6 CYS CA C 6 61.224 61.224 62.555 -1.331 25943 5110 1 13 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.305 -0.102 25943 5111 1 13 . 1 1 6 6 CYS H H 6 8.174 8.174 7.879 0.295 25943 5112 1 13 . 1 1 7 7 LYS N N 7 123.084 123.084 121.898 1.186 25943 5113 1 13 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.180 -0.112 25943 5114 1 13 . 1 1 7 7 LYS CA C 7 59.684 59.684 58.896 0.788 25943 5115 1 13 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.213 0.624 25943 5116 1 13 . 1 1 7 7 LYS H H 7 8.395 8.395 7.612 0.783 25943 5117 1 13 . 1 1 8 8 LEU N N 8 120.110 120.110 119.348 0.762 25943 5118 1 13 . 1 1 8 8 LEU HA H 8 3.974 3.974 3.852 0.122 25943 5119 1 13 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.601 0.637 25943 5120 1 13 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.651 -0.197 25943 5121 1 13 . 1 1 8 8 LEU H H 8 8.546 8.546 8.002 0.544 25943 5122 1 13 . 1 1 9 9 ALA N N 9 118.910 118.910 121.791 -2.881 25943 5123 1 13 . 1 1 9 9 ALA HA H 9 3.876 3.876 3.931 -0.055 25943 5124 1 13 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.831 0.805 25943 5125 1 13 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.211 0.364 25943 5126 1 13 . 1 1 9 9 ALA H H 9 8.076 8.076 7.974 0.102 25943 5127 1 13 . 1 1 10 10 ARG N N 10 116.760 116.760 117.925 -1.165 25943 5128 1 13 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.089 -0.137 25943 5129 1 13 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.327 -0.617 25943 5130 1 13 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.161 -0.437 25943 5131 1 13 . 1 1 10 10 ARG H H 10 7.556 7.556 7.587 -0.031 25943 5132 1 13 . 1 1 11 11 TYR N N 11 117.102 117.102 120.443 -3.341 25943 5133 1 13 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.460 -0.113 25943 5134 1 13 . 1 1 11 11 TYR CA C 11 61.698 61.698 60.488 1.210 25943 5135 1 13 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.111 0.197 25943 5136 1 13 . 1 1 11 11 TYR H H 11 7.510 7.510 7.689 -0.179 25943 5137 1 13 . 1 1 12 12 LEU N N 12 116.791 116.791 117.991 -1.200 25943 5138 1 13 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.872 0.025 25943 5139 1 13 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.580 -0.004 25943 5140 1 13 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.175 -0.229 25943 5141 1 13 . 1 1 12 12 LEU H H 12 7.893 7.893 7.851 0.042 25943 5142 1 13 . 1 1 13 13 GLU N N 13 117.866 117.866 117.959 -0.093 25943 5143 1 13 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.088 -0.840 25943 5144 1 13 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.916 -0.250 25943 5145 1 13 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.347 -1.094 25943 5146 1 13 . 1 1 13 13 GLU H H 13 7.975 7.975 7.468 0.507 25943 5147 1 13 . 1 1 14 14 ASP N N 14 116.190 116.190 117.339 -1.149 25943 5148 1 13 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.483 0.154 25943 5149 1 13 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.884 -0.749 25943 5150 1 13 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.581 -1.927 25943 5151 1 13 . 1 1 14 14 ASP H H 14 7.293 7.293 8.011 -0.718 25943 5152 1 13 . 1 1 15 15 LEU N N 15 119.530 119.530 119.890 -0.360 25943 5153 1 13 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.381 -0.072 25943 5154 1 13 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.743 0.946 25943 5155 1 13 . 1 1 15 15 LEU CB C 15 41.930 41.930 44.016 -2.086 25943 5156 1 13 . 1 1 15 15 LEU H H 15 7.301 7.301 7.170 0.131 25943 5157 1 13 . 1 1 16 16 GLU N N 16 121.840 121.840 120.618 1.222 25943 5158 1 13 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.110 0.406 25943 5159 1 13 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.321 -0.515 25943 5160 1 13 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.144 -1.912 25943 5161 1 13 . 1 1 16 16 GLU H H 16 8.837 8.837 8.603 0.234 25943 5162 1 13 . 1 1 17 17 ASP N N 17 122.070 122.070 122.280 -0.210 25943 5163 1 13 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.311 0.038 25943 5164 1 13 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.429 1.339 25943 5165 1 13 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.465 -0.107 25943 5166 1 13 . 1 1 17 17 ASP H H 17 8.951 8.951 8.829 0.122 25943 5167 1 13 . 1 1 18 18 VAL N N 18 118.150 118.150 119.193 -1.043 25943 5168 1 13 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.778 0.081 25943 5169 1 13 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.579 0.407 25943 5170 1 13 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.891 -0.348 25943 5171 1 13 . 1 1 18 18 VAL H H 18 8.613 8.613 7.893 0.720 25943 5172 1 13 . 1 1 19 19 ASP N N 19 120.600 120.600 118.695 1.905 25943 5173 1 13 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.394 0.312 25943 5174 1 13 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.255 -0.435 25943 5175 1 13 . 1 1 19 19 ASP CB C 19 41.858 41.858 39.957 1.901 25943 5176 1 13 . 1 1 19 19 ASP H H 19 7.358 7.358 8.485 -1.127 25943 5177 1 13 . 1 1 20 20 LEU N N 20 123.020 123.020 120.128 2.892 25943 5178 1 13 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.126 0.021 25943 5179 1 13 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.483 0.632 25943 5180 1 13 . 1 1 20 20 LEU CB C 20 40.919 40.919 42.152 -1.233 25943 5181 1 13 . 1 1 20 20 LEU H H 20 8.635 8.635 7.785 0.850 25943 5182 1 13 . 1 1 21 21 LYS N N 21 119.120 119.120 119.096 0.024 25943 5183 1 13 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.978 0.054 25943 5184 1 13 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.991 0.349 25943 5185 1 13 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.128 0.163 25943 5186 1 13 . 1 1 21 21 LYS H H 21 7.914 7.914 7.614 0.300 25943 5187 1 13 . 1 1 22 22 LYS N N 22 118.660 118.660 118.159 0.501 25943 5188 1 13 . 1 1 22 22 LYS HA H 22 4.180 4.180 3.952 0.228 25943 5189 1 13 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.925 1.254 25943 5190 1 13 . 1 1 22 22 LYS CB C 22 33.615 33.615 31.952 1.663 25943 5191 1 13 . 1 1 22 22 LYS H H 22 7.715 7.715 7.378 0.337 25943 5192 1 13 . 1 1 23 23 PHE N N 23 123.360 123.360 120.942 2.418 25943 5193 1 13 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.056 -0.085 25943 5194 1 13 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.453 -0.063 25943 5195 1 13 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.325 1.128 25943 5196 1 13 . 1 1 23 23 PHE H H 23 9.148 9.148 7.588 1.560 25943 5197 1 13 . 1 1 24 24 LYS N N 24 117.660 117.660 120.204 -2.544 25943 5198 1 13 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.126 -0.351 25943 5199 1 13 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.255 1.960 25943 5200 1 13 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.482 0.825 25943 5201 1 13 . 1 1 24 24 LYS H H 24 8.750 8.750 7.656 1.094 25943 5202 1 13 . 1 1 25 25 MET N N 25 118.140 118.140 118.667 -0.527 25943 5203 1 13 . 1 1 25 25 MET HA H 25 3.955 3.955 4.201 -0.246 25943 5204 1 13 . 1 1 25 25 MET CA C 25 59.261 59.261 57.641 1.620 25943 5205 1 13 . 1 1 25 25 MET CB C 25 32.276 32.276 32.225 0.051 25943 5206 1 13 . 1 1 25 25 MET H H 25 8.005 8.005 8.080 -0.075 25943 5207 1 13 . 1 1 26 26 HIS N N 26 114.610 114.610 117.386 -2.776 25943 5208 1 13 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.498 -0.177 25943 5209 1 13 . 1 1 26 26 HIS CA C 26 59.208 59.208 57.619 1.589 25943 5210 1 13 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.359 0.213 25943 5211 1 13 . 1 1 26 26 HIS H H 26 7.779 7.779 7.951 -0.172 25943 5212 1 13 . 1 1 27 27 LEU N N 27 119.460 119.460 119.758 -0.298 25943 5213 1 13 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.214 -0.213 25943 5214 1 13 . 1 1 27 27 LEU CA C 27 57.746 57.746 56.330 1.416 25943 5215 1 13 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.070 1.836 25943 5216 1 13 . 1 1 27 27 LEU H H 27 7.954 7.954 7.681 0.273 25943 5217 1 13 . 1 1 28 28 GLU N N 28 116.810 116.810 118.093 -1.283 25943 5218 1 13 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.085 0.218 25943 5219 1 13 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.351 -1.111 25943 5220 1 13 . 1 1 28 28 GLU CB C 28 28.501 28.501 30.134 -1.633 25943 5221 1 13 . 1 1 28 28 GLU H H 28 7.870 7.870 8.479 -0.609 25943 5222 1 13 . 1 1 29 29 ASP N N 29 116.732 116.732 116.024 0.708 25943 5223 1 13 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.740 0.128 25943 5224 1 13 . 1 1 29 29 ASP CA C 29 52.127 52.127 52.231 -0.104 25943 5225 1 13 . 1 1 29 29 ASP CB C 29 38.930 38.930 39.559 -0.629 25943 5226 1 13 . 1 1 29 29 ASP H H 29 7.548 7.548 7.449 0.099 25943 5227 1 13 . 1 1 30 30 TYR N N 30 125.460 125.460 122.329 3.131 25943 5228 1 13 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.354 -0.020 25943 5229 1 13 . 1 1 30 30 TYR CA C 30 58.750 58.750 57.364 1.386 25943 5230 1 13 . 1 1 30 30 TYR CB C 30 39.049 39.049 39.300 -0.251 25943 5231 1 13 . 1 1 30 30 TYR H H 30 6.837 6.837 7.580 -0.743 25943 5232 1 13 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.547 -0.014 25943 5233 1 13 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.976 0.346 25943 5234 1 13 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.363 -1.034 25943 5235 1 13 . 1 1 33 33 GLN N N 33 120.060 120.060 122.929 -2.869 25943 5236 1 13 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.310 -0.023 25943 5237 1 13 . 1 1 33 33 GLN CA C 33 56.012 56.012 57.277 -1.265 25943 5238 1 13 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.076 0.654 25943 5239 1 13 . 1 1 33 33 GLN H H 33 8.453 8.453 8.893 -0.440 25943 5240 1 13 . 1 1 34 34 LYS N N 34 121.020 121.020 115.323 5.697 25943 5241 1 13 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.482 -0.355 25943 5242 1 13 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.478 0.770 25943 5243 1 13 . 1 1 34 34 LYS CB C 34 31.837 31.837 33.536 -1.699 25943 5244 1 13 . 1 1 34 34 LYS H H 34 8.376 8.376 8.268 0.108 25943 5245 1 13 . 1 1 35 35 GLY N N 35 110.370 110.370 109.271 1.099 25943 5246 1 13 . 1 1 35 35 GLY CA C 35 45.999 45.999 44.764 1.235 25943 5247 1 13 . 1 1 35 35 GLY H H 35 8.630 8.630 8.610 0.020 25943 5248 1 13 . 1 1 36 36 CYS N N 36 117.850 117.850 119.190 -1.340 25943 5249 1 13 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.674 0.010 25943 5250 1 13 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.355 -0.863 25943 5251 1 13 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.908 1.011 25943 5252 1 13 . 1 1 36 36 CYS H H 36 7.855 7.855 8.249 -0.394 25943 5253 1 13 . 1 1 37 37 ILE N N 37 125.540 125.540 128.258 -2.718 25943 5254 1 13 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.252 0.352 25943 5255 1 13 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.386 -1.143 25943 5256 1 13 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.573 0.755 25943 5257 1 13 . 1 1 37 37 ILE H H 37 9.362 9.362 8.378 0.984 25943 5258 1 13 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.431 -0.081 25943 5259 1 13 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.426 -0.181 25943 5260 1 13 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.143 0.317 25943 5261 1 13 . 1 1 39 39 LEU N N 39 120.950 120.950 124.941 -3.991 25943 5262 1 13 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.335 -0.445 25943 5263 1 13 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.780 -0.427 25943 5264 1 13 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.349 0.029 25943 5265 1 13 . 1 1 39 39 LEU H H 39 7.503 7.503 8.100 -0.597 25943 5266 1 13 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.443 -0.093 25943 5267 1 13 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.844 -0.543 25943 5268 1 13 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.497 -0.249 25943 5269 1 13 . 1 1 41 41 ARG N N 41 127.030 127.030 124.914 2.116 25943 5270 1 13 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.990 -0.162 25943 5271 1 13 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.735 0.969 25943 5272 1 13 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.110 0.171 25943 5273 1 13 . 1 1 41 41 ARG H H 41 8.997 8.997 8.730 0.267 25943 5274 1 13 . 1 1 42 42 GLY N N 42 106.770 106.770 106.831 -0.061 25943 5275 1 13 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.723 0.782 25943 5276 1 13 . 1 1 42 42 GLY H H 42 8.820 8.820 8.640 0.180 25943 5277 1 13 . 1 1 43 43 GLN N N 43 118.070 118.070 121.486 -3.416 25943 5278 1 13 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.049 -0.035 25943 5279 1 13 . 1 1 43 43 GLN CA C 43 58.697 58.697 59.009 -0.312 25943 5280 1 13 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.785 1.035 25943 5281 1 13 . 1 1 43 43 GLN H H 43 7.724 7.724 7.608 0.116 25943 5282 1 13 . 1 1 44 44 THR N N 44 115.670 115.670 115.246 0.424 25943 5283 1 13 . 1 1 44 44 THR HA H 44 4.220 4.220 3.994 0.226 25943 5284 1 13 . 1 1 44 44 THR CA C 44 67.781 67.781 66.385 1.396 25943 5285 1 13 . 1 1 44 44 THR CB C 44 67.781 67.781 68.553 -0.772 25943 5286 1 13 . 1 1 44 44 THR H H 44 7.641 7.641 7.948 -0.307 25943 5287 1 13 . 1 1 45 45 GLU N N 45 119.340 119.340 120.487 -1.147 25943 5288 1 13 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.130 -0.380 25943 5289 1 13 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.709 1.119 25943 5290 1 13 . 1 1 45 45 GLU CB C 45 29.325 29.325 28.823 0.502 25943 5291 1 13 . 1 1 45 45 GLU H H 45 8.412 8.412 8.118 0.294 25943 5292 1 13 . 1 1 46 46 LYS N N 46 115.700 115.700 119.413 -3.713 25943 5293 1 13 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.195 -0.023 25943 5294 1 13 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.624 0.213 25943 5295 1 13 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.889 0.392 25943 5296 1 13 . 1 1 46 46 LYS H H 46 7.289 7.289 7.628 -0.339 25943 5297 1 13 . 1 1 47 47 ALA N N 47 121.880 121.880 123.740 -1.860 25943 5298 1 13 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.265 0.022 25943 5299 1 13 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.508 0.593 25943 5300 1 13 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.447 0.229 25943 5301 1 13 . 1 1 47 47 ALA H H 47 7.072 7.072 7.762 -0.690 25943 5302 1 13 . 1 1 48 48 ASP N N 48 121.440 121.440 123.059 -1.619 25943 5303 1 13 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.650 0.013 25943 5304 1 13 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.920 -1.874 25943 5305 1 13 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.049 -2.346 25943 5306 1 13 . 1 1 48 48 ASP H H 48 8.654 8.654 8.348 0.306 25943 5307 1 13 . 1 1 49 49 HIS N N 49 112.540 112.540 120.763 -8.223 25943 5308 1 13 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.203 -0.231 25943 5309 1 13 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.918 0.358 25943 5310 1 13 . 1 1 49 49 HIS CB C 49 28.741 28.741 30.317 -1.576 25943 5311 1 13 . 1 1 49 49 HIS H H 49 8.316 8.316 8.715 -0.399 25943 5312 1 13 . 1 1 50 50 VAL N N 50 117.460 117.460 118.722 -1.262 25943 5313 1 13 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.484 0.193 25943 5314 1 13 . 1 1 50 50 VAL CA C 50 65.823 65.823 65.949 -0.126 25943 5315 1 13 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.459 0.344 25943 5316 1 13 . 1 1 50 50 VAL H H 50 7.610 7.610 8.060 -0.450 25943 5317 1 13 . 1 1 51 51 ASP N N 51 121.430 121.430 119.299 2.131 25943 5318 1 13 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.354 0.081 25943 5319 1 13 . 1 1 51 51 ASP CA C 51 56.592 56.592 56.904 -0.312 25943 5320 1 13 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.579 -1.164 25943 5321 1 13 . 1 1 51 51 ASP H H 51 8.490 8.490 8.214 0.276 25943 5322 1 13 . 1 1 52 52 LEU N N 52 121.030 121.030 120.548 0.482 25943 5323 1 13 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.997 -0.030 25943 5324 1 13 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.127 -0.450 25943 5325 1 13 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.115 0.592 25943 5326 1 13 . 1 1 52 52 LEU H H 52 8.649 8.649 8.447 0.202 25943 5327 1 13 . 1 1 53 53 ALA N N 53 120.440 120.440 118.871 1.569 25943 5328 1 13 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.031 -0.096 25943 5329 1 13 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.798 0.800 25943 5330 1 13 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.271 -0.177 25943 5331 1 13 . 1 1 53 53 ALA H H 53 7.423 7.423 7.620 -0.197 25943 5332 1 13 . 1 1 54 54 THR N N 54 113.210 113.210 116.268 -3.058 25943 5333 1 13 . 1 1 54 54 THR HA H 54 3.712 3.712 4.086 -0.374 25943 5334 1 13 . 1 1 54 54 THR CA C 54 66.864 66.864 67.178 -0.314 25943 5335 1 13 . 1 1 54 54 THR CB C 54 68.868 68.868 68.505 0.362 25943 5336 1 13 . 1 1 54 54 THR H H 54 7.683 7.683 7.508 0.175 25943 5337 1 13 . 1 1 55 55 LEU N N 55 122.800 122.800 122.099 0.701 25943 5338 1 13 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.017 0.157 25943 5339 1 13 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.209 0.194 25943 5340 1 13 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.323 1.715 25943 5341 1 13 . 1 1 55 55 LEU H H 55 8.314 8.314 8.227 0.087 25943 5342 1 13 . 1 1 56 56 MET N N 56 115.790 115.790 118.670 -2.880 25943 5343 1 13 . 1 1 56 56 MET HA H 56 3.831 3.831 4.195 -0.364 25943 5344 1 13 . 1 1 56 56 MET CA C 56 60.849 60.849 59.645 1.204 25943 5345 1 13 . 1 1 56 56 MET CB C 56 34.668 34.668 32.960 1.708 25943 5346 1 13 . 1 1 56 56 MET H H 56 8.379 8.379 7.667 0.712 25943 5347 1 13 . 1 1 57 57 ILE N N 57 120.370 120.370 120.086 0.284 25943 5348 1 13 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.911 -0.474 25943 5349 1 13 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.666 0.184 25943 5350 1 13 . 1 1 57 57 ILE CB C 57 38.352 38.352 38.116 0.236 25943 5351 1 13 . 1 1 57 57 ILE H H 57 8.007 8.007 7.644 0.363 25943 5352 1 13 . 1 1 58 58 ASP N N 58 122.569 122.569 119.639 2.930 25943 5353 1 13 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.423 -0.076 25943 5354 1 13 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.326 -0.664 25943 5355 1 13 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.562 -3.652 25943 5356 1 13 . 1 1 58 58 ASP H H 58 9.271 9.271 8.038 1.233 25943 5357 1 13 . 1 1 59 59 PHE N N 59 114.340 114.340 119.194 -4.854 25943 5358 1 13 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.342 -0.118 25943 5359 1 13 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.578 0.798 25943 5360 1 13 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.864 0.666 25943 5361 1 13 . 1 1 59 59 PHE H H 59 8.025 8.025 8.253 -0.228 25943 5362 1 13 . 1 1 60 60 ASN N N 60 112.830 112.830 114.323 -1.493 25943 5363 1 13 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.868 -0.736 25943 5364 1 13 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.748 0.866 25943 5365 1 13 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.899 2.061 25943 5366 1 13 . 1 1 60 60 ASN H H 60 7.601 7.601 7.803 -0.202 25943 5367 1 13 . 1 1 61 61 GLY N N 61 110.840 110.840 106.204 4.636 25943 5368 1 13 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.364 0.378 25943 5369 1 13 . 1 1 61 61 GLY H H 61 8.626 8.626 7.323 1.303 25943 5370 1 13 . 1 1 62 62 GLU N N 62 117.990 117.990 120.703 -2.713 25943 5371 1 13 . 1 1 62 62 GLU HA H 62 3.932 3.932 4.091 -0.159 25943 5372 1 13 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.363 2.376 25943 5373 1 13 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.836 0.412 25943 5374 1 13 . 1 1 62 62 GLU H H 62 8.841 8.841 8.895 -0.054 25943 5375 1 13 . 1 1 63 63 GLU N N 63 118.090 118.090 119.150 -1.060 25943 5376 1 13 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.209 -0.181 25943 5377 1 13 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.383 1.369 25943 5378 1 13 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.998 -0.675 25943 5379 1 13 . 1 1 63 63 GLU H H 63 8.535 8.535 8.813 -0.278 25943 5380 1 13 . 1 1 64 64 LYS N N 64 119.720 119.720 119.552 0.168 25943 5381 1 13 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.179 -0.097 25943 5382 1 13 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.435 0.749 25943 5383 1 13 . 1 1 64 64 LYS CB C 64 31.758 31.758 31.737 0.021 25943 5384 1 13 . 1 1 64 64 LYS H H 64 9.107 9.107 8.326 0.781 25943 5385 1 13 . 1 1 65 65 ALA N N 65 120.030 120.030 122.821 -2.791 25943 5386 1 13 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.088 -0.170 25943 5387 1 13 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.352 0.582 25943 5388 1 13 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.311 1.278 25943 5389 1 13 . 1 1 65 65 ALA H H 65 8.179 8.179 7.971 0.207 25943 5390 1 13 . 1 1 66 66 TRP N N 66 116.210 116.210 119.831 -3.621 25943 5391 1 13 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.202 -0.228 25943 5392 1 13 . 1 1 66 66 TRP CA C 66 61.302 61.302 61.768 -0.466 25943 5393 1 13 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.275 -0.320 25943 5394 1 13 . 1 1 66 66 TRP H H 66 7.900 7.900 7.731 0.169 25943 5395 1 13 . 1 1 67 67 ALA N N 67 119.640 119.640 121.486 -1.846 25943 5396 1 13 . 1 1 67 67 ALA HA H 67 4.031 4.031 3.993 0.038 25943 5397 1 13 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.173 0.439 25943 5398 1 13 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.246 -0.140 25943 5399 1 13 . 1 1 67 67 ALA H H 67 7.754 7.754 7.840 -0.086 25943 5400 1 13 . 1 1 68 68 MET N N 68 118.260 118.260 116.834 1.426 25943 5401 1 13 . 1 1 68 68 MET HA H 68 4.262 4.262 4.296 -0.034 25943 5402 1 13 . 1 1 68 68 MET CA C 68 58.647 58.647 57.333 1.314 25943 5403 1 13 . 1 1 68 68 MET CB C 68 34.369 34.369 32.048 2.321 25943 5404 1 13 . 1 1 68 68 MET H H 68 8.500 8.500 8.080 0.420 25943 5405 1 13 . 1 1 69 69 ALA N N 69 120.358 120.358 123.070 -2.712 25943 5406 1 13 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.893 -0.320 25943 5407 1 13 . 1 1 69 69 ALA CA C 69 55.629 55.629 54.835 0.794 25943 5408 1 13 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.205 -0.492 25943 5409 1 13 . 1 1 69 69 ALA H H 69 7.922 7.922 8.311 -0.389 25943 5410 1 13 . 1 1 70 70 VAL N N 70 114.916 114.916 117.831 -2.915 25943 5411 1 13 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.512 -0.109 25943 5412 1 13 . 1 1 70 70 VAL CA C 70 67.934 67.934 66.322 1.612 25943 5413 1 13 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.877 0.411 25943 5414 1 13 . 1 1 70 70 VAL H H 70 8.202 8.202 8.044 0.158 25943 5415 1 13 . 1 1 71 71 TRP N N 71 118.400 118.400 121.126 -2.726 25943 5416 1 13 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.214 -0.077 25943 5417 1 13 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.434 0.829 25943 5418 1 13 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.627 -0.385 25943 5419 1 13 . 1 1 71 71 TRP H H 71 7.806 7.806 7.670 0.136 25943 5420 1 13 . 1 1 72 72 ILE N N 72 119.430 119.430 118.914 0.516 25943 5421 1 13 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.567 -0.445 25943 5422 1 13 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.838 1.025 25943 5423 1 13 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.755 -1.085 25943 5424 1 13 . 1 1 72 72 ILE H H 72 8.654 8.654 7.473 1.181 25943 5425 1 13 . 1 1 73 73 PHE N N 73 118.760 118.760 119.039 -0.279 25943 5426 1 13 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.148 0.366 25943 5427 1 13 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.822 -0.668 25943 5428 1 13 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.404 -0.083 25943 5429 1 13 . 1 1 73 73 PHE H H 73 9.015 9.015 6.904 2.111 25943 5430 1 13 . 1 1 74 74 ALA N N 74 118.190 118.190 120.242 -2.052 25943 5431 1 13 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.999 -0.338 25943 5432 1 13 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.623 0.539 25943 5433 1 13 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.638 -0.487 25943 5434 1 13 . 1 1 74 74 ALA H H 74 7.363 7.363 7.715 -0.352 25943 5435 1 13 . 1 1 75 75 ALA N N 75 122.920 122.920 122.878 0.042 25943 5436 1 13 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.860 -0.125 25943 5437 1 13 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.324 0.302 25943 5438 1 13 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.304 -0.727 25943 5439 1 13 . 1 1 75 75 ALA H H 75 7.640 7.640 7.154 0.486 25943 5440 1 13 . 1 1 76 76 ILE N N 76 108.850 108.850 112.251 -3.401 25943 5441 1 13 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.188 0.308 25943 5442 1 13 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.495 0.183 25943 5443 1 13 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.842 0.550 25943 5444 1 13 . 1 1 76 76 ILE H H 76 7.901 7.901 7.358 0.543 25943 5445 1 13 . 1 1 77 77 ASN N N 77 116.232 116.232 119.359 -3.127 25943 5446 1 13 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.353 -0.095 25943 5447 1 13 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.197 0.873 25943 5448 1 13 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.949 -1.031 25943 5449 1 13 . 1 1 77 77 ASN H H 77 7.865 7.865 7.630 0.235 25943 5450 1 13 . 1 1 78 78 ARG N N 78 118.810 118.810 120.848 -2.038 25943 5451 1 13 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.452 0.516 25943 5452 1 13 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.587 -4.664 25943 5453 1 13 . 1 1 78 78 ARG CB C 78 26.617 26.617 31.318 -4.701 25943 5454 1 13 . 1 1 78 78 ARG H H 78 8.325 8.325 7.970 0.355 25943 5455 1 13 . 1 1 79 79 ARG N N 79 122.270 122.270 119.592 2.678 25943 5456 1 13 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.994 -0.083 25943 5457 1 13 . 1 1 79 79 ARG CA C 79 59.194 59.194 60.095 -0.901 25943 5458 1 13 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.955 -0.397 25943 5459 1 13 . 1 1 79 79 ARG H H 79 8.171 8.171 8.404 -0.233 25943 5460 1 13 . 1 1 80 80 ASP N N 80 117.180 117.180 118.646 -1.466 25943 5461 1 13 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.415 -0.556 25943 5462 1 13 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.465 -0.300 25943 5463 1 13 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.567 -2.195 25943 5464 1 13 . 1 1 80 80 ASP H H 80 9.124 9.124 8.128 0.996 25943 5465 1 13 . 1 1 81 81 LEU N N 81 120.540 120.540 120.130 0.410 25943 5466 1 13 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.100 -0.261 25943 5467 1 13 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.056 -0.293 25943 5468 1 13 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.661 -1.372 25943 5469 1 13 . 1 1 81 81 LEU H H 81 7.267 7.267 8.337 -1.070 25943 5470 1 13 . 1 1 82 82 TYR N N 82 119.140 119.140 120.447 -1.307 25943 5471 1 13 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.395 -0.236 25943 5472 1 13 . 1 1 82 82 TYR CA C 82 62.239 62.239 60.508 1.731 25943 5473 1 13 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.232 0.459 25943 5474 1 13 . 1 1 82 82 TYR H H 82 8.041 8.041 8.225 -0.184 25943 5475 1 13 . 1 1 83 83 GLU N N 83 115.620 115.620 119.183 -3.563 25943 5476 1 13 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.613 0.083 25943 5477 1 13 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.377 -0.297 25943 5478 1 13 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.368 -0.231 25943 5479 1 13 . 1 1 83 83 GLU H H 83 8.194 8.194 7.760 0.434 25943 5480 1 13 . 1 1 84 84 LYS N N 84 118.080 118.080 119.039 -0.959 25943 5481 1 13 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.152 -0.235 25943 5482 1 13 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.863 0.901 25943 5483 1 13 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.461 0.913 25943 5484 1 13 . 1 1 84 84 LYS H H 84 7.446 7.446 7.512 -0.066 25943 5485 1 13 . 1 1 85 85 ALA N N 85 120.470 120.470 122.698 -2.228 25943 5486 1 13 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.352 -0.229 25943 5487 1 13 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.243 -0.133 25943 5488 1 13 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.742 -0.360 25943 5489 1 13 . 1 1 85 85 ALA H H 85 8.651 8.651 8.461 0.190 25943 5490 1 13 . 1 1 86 86 LYS N N 86 117.610 117.610 117.368 0.242 25943 5491 1 13 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.165 -0.155 25943 5492 1 13 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.450 0.719 25943 5493 1 13 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.453 -0.661 25943 5494 1 13 . 1 1 86 86 LYS H H 86 8.059 8.059 7.738 0.321 25943 5495 1 13 . 1 1 87 87 ARG N N 87 116.900 116.900 116.308 0.592 25943 5496 1 13 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.267 -0.102 25943 5497 1 13 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.350 -0.650 25943 5498 1 13 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.945 -0.629 25943 5499 1 13 . 1 1 87 87 ARG H H 87 7.196 7.196 7.660 -0.464 25943 5500 1 13 . 1 1 88 88 ASP N N 88 119.290 119.290 117.317 1.973 25943 5501 1 13 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.852 -0.158 25943 5502 1 13 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.766 -1.097 25943 5503 1 13 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.918 0.501 25943 5504 1 13 . 1 1 88 88 ASP H H 88 7.507 7.507 8.065 -0.558 25943 5505 1 13 . 1 1 89 89 GLU N N 89 119.970 119.970 121.853 -1.883 25943 5506 1 13 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.370 -0.966 25943 5507 1 13 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.742 -0.307 25943 5508 1 13 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.258 -1.037 25943 5509 1 13 . 1 1 89 89 GLU H H 89 7.337 7.337 7.479 -0.142 25943 5510 1 13 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.409 -0.203 25943 5511 1 13 . 1 1 90 90 PRO CA C 90 63.256 63.256 63.022 0.234 25943 5512 1 13 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.229 -0.436 25943 5513 1 14 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.535 -0.379 25943 5514 1 14 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.896 -0.193 25943 5515 1 14 . 1 1 2 2 ALA CB C 2 19.641 19.641 20.267 -0.626 25943 5516 1 14 . 1 1 3 3 SER N N 3 115.850 115.850 116.821 -0.971 25943 5517 1 14 . 1 1 3 3 SER HA H 3 4.696 4.696 4.577 0.119 25943 5518 1 14 . 1 1 3 3 SER CA C 3 57.756 57.756 57.920 -0.164 25943 5519 1 14 . 1 1 3 3 SER CB C 3 64.325 64.325 65.034 -0.709 25943 5520 1 14 . 1 1 3 3 SER H H 3 8.757 8.757 8.142 0.615 25943 5521 1 14 . 1 1 4 4 THR N N 4 118.590 118.590 122.258 -3.668 25943 5522 1 14 . 1 1 4 4 THR HA H 4 4.213 4.213 4.209 0.004 25943 5523 1 14 . 1 1 4 4 THR CA C 4 64.714 64.714 65.019 -0.305 25943 5524 1 14 . 1 1 4 4 THR CB C 4 68.864 68.864 68.910 -0.046 25943 5525 1 14 . 1 1 4 4 THR H H 4 8.854 8.854 8.767 0.087 25943 5526 1 14 . 1 1 5 5 ARG N N 5 122.240 122.240 123.135 -0.895 25943 5527 1 14 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.006 -0.037 25943 5528 1 14 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.972 -0.713 25943 5529 1 14 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.192 0.080 25943 5530 1 14 . 1 1 5 5 ARG H H 5 8.535 8.535 7.794 0.741 25943 5531 1 14 . 1 1 6 6 CYS N N 6 118.400 118.400 115.248 3.152 25943 5532 1 14 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.307 -0.060 25943 5533 1 14 . 1 1 6 6 CYS CA C 6 61.224 61.224 60.808 0.416 25943 5534 1 14 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.798 -0.595 25943 5535 1 14 . 1 1 6 6 CYS H H 6 8.174 8.174 7.809 0.365 25943 5536 1 14 . 1 1 7 7 LYS N N 7 123.084 123.084 122.156 0.928 25943 5537 1 14 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.032 0.036 25943 5538 1 14 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.224 0.459 25943 5539 1 14 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.333 0.504 25943 5540 1 14 . 1 1 7 7 LYS H H 7 8.395 8.395 7.224 1.171 25943 5541 1 14 . 1 1 8 8 LEU N N 8 120.110 120.110 119.994 0.116 25943 5542 1 14 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.146 -0.172 25943 5543 1 14 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.990 0.248 25943 5544 1 14 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.877 -0.423 25943 5545 1 14 . 1 1 8 8 LEU H H 8 8.546 8.546 8.454 0.092 25943 5546 1 14 . 1 1 9 9 ALA N N 9 118.910 118.910 120.958 -2.048 25943 5547 1 14 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.032 -0.156 25943 5548 1 14 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.817 0.819 25943 5549 1 14 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.319 0.257 25943 5550 1 14 . 1 1 9 9 ALA H H 9 8.076 8.076 7.622 0.454 25943 5551 1 14 . 1 1 10 10 ARG N N 10 116.760 116.760 118.422 -1.662 25943 5552 1 14 . 1 1 10 10 ARG HA H 10 3.952 3.952 3.936 0.016 25943 5553 1 14 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.454 -0.744 25943 5554 1 14 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.121 -0.397 25943 5555 1 14 . 1 1 10 10 ARG H H 10 7.556 7.556 7.757 -0.201 25943 5556 1 14 . 1 1 11 11 TYR N N 11 117.102 117.102 118.013 -0.911 25943 5557 1 14 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.226 0.121 25943 5558 1 14 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.330 0.368 25943 5559 1 14 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.576 -0.268 25943 5560 1 14 . 1 1 11 11 TYR H H 11 7.510 7.510 7.314 0.196 25943 5561 1 14 . 1 1 12 12 LEU N N 12 116.791 116.791 116.631 0.160 25943 5562 1 14 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.767 0.130 25943 5563 1 14 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.251 0.326 25943 5564 1 14 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.283 -0.337 25943 5565 1 14 . 1 1 12 12 LEU H H 12 7.893 7.893 7.627 0.266 25943 5566 1 14 . 1 1 13 13 GLU N N 13 117.866 117.866 119.188 -1.322 25943 5567 1 14 . 1 1 13 13 GLU HA H 13 3.248 3.248 3.931 -0.683 25943 5568 1 14 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.184 -0.518 25943 5569 1 14 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.760 -1.507 25943 5570 1 14 . 1 1 13 13 GLU H H 13 7.975 7.975 8.115 -0.140 25943 5571 1 14 . 1 1 14 14 ASP N N 14 116.190 116.190 117.242 -1.052 25943 5572 1 14 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.479 0.158 25943 5573 1 14 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.659 -0.524 25943 5574 1 14 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.961 -2.307 25943 5575 1 14 . 1 1 14 14 ASP H H 14 7.293 7.293 7.495 -0.202 25943 5576 1 14 . 1 1 15 15 LEU N N 15 119.530 119.530 119.241 0.289 25943 5577 1 14 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.397 -0.088 25943 5578 1 14 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.908 0.780 25943 5579 1 14 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.627 -0.697 25943 5580 1 14 . 1 1 15 15 LEU H H 15 7.301 7.301 7.157 0.144 25943 5581 1 14 . 1 1 16 16 GLU N N 16 121.840 121.840 120.528 1.312 25943 5582 1 14 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.148 0.368 25943 5583 1 14 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.043 -0.237 25943 5584 1 14 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.022 -1.790 25943 5585 1 14 . 1 1 16 16 GLU H H 16 8.837 8.837 8.449 0.388 25943 5586 1 14 . 1 1 17 17 ASP N N 17 122.070 122.070 122.597 -0.527 25943 5587 1 14 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.378 -0.029 25943 5588 1 14 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.718 1.050 25943 5589 1 14 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.635 -0.277 25943 5590 1 14 . 1 1 17 17 ASP H H 17 8.951 8.951 8.877 0.074 25943 5591 1 14 . 1 1 18 18 VAL N N 18 118.150 118.150 118.998 -0.848 25943 5592 1 14 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.793 0.066 25943 5593 1 14 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.959 0.027 25943 5594 1 14 . 1 1 18 18 VAL CB C 18 31.543 31.543 32.011 -0.468 25943 5595 1 14 . 1 1 18 18 VAL H H 18 8.613 8.613 7.767 0.846 25943 5596 1 14 . 1 1 19 19 ASP N N 19 120.600 120.600 119.396 1.204 25943 5597 1 14 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.528 0.178 25943 5598 1 14 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.711 0.109 25943 5599 1 14 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.550 1.308 25943 5600 1 14 . 1 1 19 19 ASP H H 19 7.358 7.358 8.434 -1.076 25943 5601 1 14 . 1 1 20 20 LEU N N 20 123.020 123.020 120.666 2.354 25943 5602 1 14 . 1 1 20 20 LEU HA H 20 4.147 4.147 3.910 0.237 25943 5603 1 14 . 1 1 20 20 LEU CA C 20 58.115 58.115 58.110 0.005 25943 5604 1 14 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.858 -0.939 25943 5605 1 14 . 1 1 20 20 LEU H H 20 8.635 8.635 8.025 0.610 25943 5606 1 14 . 1 1 21 21 LYS N N 21 119.120 119.120 118.615 0.505 25943 5607 1 14 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.039 -0.007 25943 5608 1 14 . 1 1 21 21 LYS CA C 21 60.340 60.340 60.017 0.323 25943 5609 1 14 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.178 0.113 25943 5610 1 14 . 1 1 21 21 LYS H H 21 7.914 7.914 7.712 0.202 25943 5611 1 14 . 1 1 22 22 LYS N N 22 118.660 118.660 120.808 -2.148 25943 5612 1 14 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.140 0.040 25943 5613 1 14 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.873 0.306 25943 5614 1 14 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.551 1.064 25943 5615 1 14 . 1 1 22 22 LYS H H 22 7.715 7.715 7.567 0.148 25943 5616 1 14 . 1 1 23 23 PHE N N 23 123.360 123.360 119.847 3.513 25943 5617 1 14 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.212 -0.241 25943 5618 1 14 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.748 -0.358 25943 5619 1 14 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.293 1.160 25943 5620 1 14 . 1 1 23 23 PHE H H 23 9.148 9.148 8.775 0.373 25943 5621 1 14 . 1 1 24 24 LYS N N 24 117.660 117.660 120.022 -2.362 25943 5622 1 14 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.150 -0.375 25943 5623 1 14 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.138 2.077 25943 5624 1 14 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.394 0.913 25943 5625 1 14 . 1 1 24 24 LYS H H 24 8.750 8.750 7.772 0.978 25943 5626 1 14 . 1 1 25 25 MET N N 25 118.140 118.140 120.260 -2.120 25943 5627 1 14 . 1 1 25 25 MET HA H 25 3.955 3.955 4.026 -0.071 25943 5628 1 14 . 1 1 25 25 MET CA C 25 59.261 59.261 59.198 0.063 25943 5629 1 14 . 1 1 25 25 MET CB C 25 32.276 32.276 32.644 -0.368 25943 5630 1 14 . 1 1 25 25 MET H H 25 8.005 8.005 8.462 -0.457 25943 5631 1 14 . 1 1 26 26 HIS N N 26 114.610 114.610 116.463 -1.853 25943 5632 1 14 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.359 -0.038 25943 5633 1 14 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.836 -0.627 25943 5634 1 14 . 1 1 26 26 HIS CB C 26 29.572 29.572 30.266 -0.694 25943 5635 1 14 . 1 1 26 26 HIS H H 26 7.779 7.779 8.063 -0.284 25943 5636 1 14 . 1 1 27 27 LEU N N 27 119.460 119.460 119.077 0.383 25943 5637 1 14 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.145 -0.144 25943 5638 1 14 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.609 0.137 25943 5639 1 14 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.410 0.496 25943 5640 1 14 . 1 1 27 27 LEU H H 27 7.954 7.954 7.579 0.375 25943 5641 1 14 . 1 1 28 28 GLU N N 28 116.810 116.810 118.347 -1.537 25943 5642 1 14 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.075 0.228 25943 5643 1 14 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.566 -1.326 25943 5644 1 14 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.087 -0.586 25943 5645 1 14 . 1 1 28 28 GLU H H 28 7.870 7.870 8.298 -0.428 25943 5646 1 14 . 1 1 29 29 ASP N N 29 116.732 116.732 119.481 -2.749 25943 5647 1 14 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.509 0.359 25943 5648 1 14 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.563 -1.436 25943 5649 1 14 . 1 1 29 29 ASP CB C 29 38.930 38.930 41.029 -2.099 25943 5650 1 14 . 1 1 29 29 ASP H H 29 7.548 7.548 7.813 -0.265 25943 5651 1 14 . 1 1 30 30 TYR N N 30 125.460 125.460 122.119 3.341 25943 5652 1 14 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.365 -0.031 25943 5653 1 14 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.641 2.109 25943 5654 1 14 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.635 0.414 25943 5655 1 14 . 1 1 30 30 TYR H H 30 6.837 6.837 7.485 -0.648 25943 5656 1 14 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.652 -0.119 25943 5657 1 14 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.880 0.442 25943 5658 1 14 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.978 -1.649 25943 5659 1 14 . 1 1 33 33 GLN N N 33 120.060 120.060 120.044 0.016 25943 5660 1 14 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.304 -0.017 25943 5661 1 14 . 1 1 33 33 GLN CA C 33 56.012 56.012 57.074 -1.062 25943 5662 1 14 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.526 0.204 25943 5663 1 14 . 1 1 33 33 GLN H H 33 8.453 8.453 8.821 -0.368 25943 5664 1 14 . 1 1 34 34 LYS N N 34 121.020 121.020 118.072 2.948 25943 5665 1 14 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.493 -0.366 25943 5666 1 14 . 1 1 34 34 LYS CA C 34 57.248 57.248 55.815 1.433 25943 5667 1 14 . 1 1 34 34 LYS CB C 34 31.837 31.837 32.677 -0.840 25943 5668 1 14 . 1 1 34 34 LYS H H 34 8.376 8.376 7.957 0.419 25943 5669 1 14 . 1 1 35 35 GLY N N 35 110.370 110.370 108.843 1.527 25943 5670 1 14 . 1 1 35 35 GLY CA C 35 45.999 45.999 44.794 1.205 25943 5671 1 14 . 1 1 35 35 GLY H H 35 8.630 8.630 8.428 0.202 25943 5672 1 14 . 1 1 36 36 CYS N N 36 117.850 117.850 118.991 -1.141 25943 5673 1 14 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.431 0.253 25943 5674 1 14 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.510 -1.018 25943 5675 1 14 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.500 1.419 25943 5676 1 14 . 1 1 36 36 CYS H H 36 7.855 7.855 8.015 -0.160 25943 5677 1 14 . 1 1 37 37 ILE N N 37 125.540 125.540 128.266 -2.726 25943 5678 1 14 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.417 0.187 25943 5679 1 14 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.733 -0.490 25943 5680 1 14 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.915 0.413 25943 5681 1 14 . 1 1 37 37 ILE H H 37 9.362 9.362 8.368 0.994 25943 5682 1 14 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.473 -0.123 25943 5683 1 14 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.319 -0.074 25943 5684 1 14 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.296 0.164 25943 5685 1 14 . 1 1 39 39 LEU N N 39 120.950 120.950 123.761 -2.811 25943 5686 1 14 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.394 -0.504 25943 5687 1 14 . 1 1 39 39 LEU CA C 39 52.353 52.353 53.119 -0.766 25943 5688 1 14 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.663 0.715 25943 5689 1 14 . 1 1 39 39 LEU H H 39 7.503 7.503 8.365 -0.862 25943 5690 1 14 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.420 -0.070 25943 5691 1 14 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.593 -0.292 25943 5692 1 14 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.535 -0.287 25943 5693 1 14 . 1 1 41 41 ARG N N 41 127.030 127.030 125.613 1.417 25943 5694 1 14 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.982 -0.154 25943 5695 1 14 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.845 0.859 25943 5696 1 14 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.172 0.108 25943 5697 1 14 . 1 1 41 41 ARG H H 41 8.997 8.997 8.781 0.215 25943 5698 1 14 . 1 1 42 42 GLY N N 42 106.770 106.770 107.189 -0.419 25943 5699 1 14 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.685 0.820 25943 5700 1 14 . 1 1 42 42 GLY H H 42 8.820 8.820 8.583 0.237 25943 5701 1 14 . 1 1 43 43 GLN N N 43 118.070 118.070 120.701 -2.631 25943 5702 1 14 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.181 -0.167 25943 5703 1 14 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.919 -0.222 25943 5704 1 14 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.281 1.539 25943 5705 1 14 . 1 1 43 43 GLN H H 43 7.724 7.724 8.314 -0.590 25943 5706 1 14 . 1 1 44 44 THR N N 44 115.670 115.670 115.419 0.251 25943 5707 1 14 . 1 1 44 44 THR HA H 44 4.220 4.220 4.062 0.158 25943 5708 1 14 . 1 1 44 44 THR CA C 44 67.781 67.781 66.050 1.731 25943 5709 1 14 . 1 1 44 44 THR CB C 44 67.781 67.781 68.707 -0.926 25943 5710 1 14 . 1 1 44 44 THR H H 44 7.641 7.641 8.110 -0.469 25943 5711 1 14 . 1 1 45 45 GLU N N 45 119.340 119.340 121.719 -2.379 25943 5712 1 14 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.145 -0.395 25943 5713 1 14 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.633 1.196 25943 5714 1 14 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.382 -0.057 25943 5715 1 14 . 1 1 45 45 GLU H H 45 8.412 8.412 8.080 0.332 25943 5716 1 14 . 1 1 46 46 LYS N N 46 115.700 115.700 117.940 -2.240 25943 5717 1 14 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.176 -0.004 25943 5718 1 14 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.611 0.226 25943 5719 1 14 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.852 0.429 25943 5720 1 14 . 1 1 46 46 LYS H H 46 7.289 7.289 7.691 -0.402 25943 5721 1 14 . 1 1 47 47 ALA N N 47 121.880 121.880 122.755 -0.875 25943 5722 1 14 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.184 0.103 25943 5723 1 14 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.311 0.790 25943 5724 1 14 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.344 0.332 25943 5725 1 14 . 1 1 47 47 ALA H H 47 7.072 7.072 7.480 -0.408 25943 5726 1 14 . 1 1 48 48 ASP N N 48 121.440 121.440 125.257 -3.817 25943 5727 1 14 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.546 0.117 25943 5728 1 14 . 1 1 48 48 ASP CA C 48 52.046 52.046 54.030 -1.984 25943 5729 1 14 . 1 1 48 48 ASP CB C 48 39.703 39.703 41.877 -2.174 25943 5730 1 14 . 1 1 48 48 ASP H H 48 8.654 8.654 8.282 0.372 25943 5731 1 14 . 1 1 49 49 HIS N N 49 112.540 112.540 118.951 -6.411 25943 5732 1 14 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.136 -0.164 25943 5733 1 14 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.554 0.722 25943 5734 1 14 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.692 -0.951 25943 5735 1 14 . 1 1 49 49 HIS H H 49 8.316 8.316 8.262 0.054 25943 5736 1 14 . 1 1 50 50 VAL N N 50 117.460 117.460 120.554 -3.094 25943 5737 1 14 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.750 -0.073 25943 5738 1 14 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.762 -0.939 25943 5739 1 14 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.387 0.415 25943 5740 1 14 . 1 1 50 50 VAL H H 50 7.610 7.610 8.112 -0.502 25943 5741 1 14 . 1 1 51 51 ASP N N 51 121.430 121.430 119.298 2.132 25943 5742 1 14 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.367 0.068 25943 5743 1 14 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.423 -0.832 25943 5744 1 14 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.373 -0.958 25943 5745 1 14 . 1 1 51 51 ASP H H 51 8.490 8.490 8.189 0.301 25943 5746 1 14 . 1 1 52 52 LEU N N 52 121.030 121.030 120.696 0.334 25943 5747 1 14 . 1 1 52 52 LEU HA H 52 3.967 3.967 4.016 -0.049 25943 5748 1 14 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.339 -0.662 25943 5749 1 14 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.566 0.142 25943 5750 1 14 . 1 1 52 52 LEU H H 52 8.649 8.649 8.668 -0.019 25943 5751 1 14 . 1 1 53 53 ALA N N 53 120.440 120.440 117.988 2.452 25943 5752 1 14 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.046 -0.111 25943 5753 1 14 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.093 0.505 25943 5754 1 14 . 1 1 53 53 ALA CB C 53 18.094 18.094 17.848 0.246 25943 5755 1 14 . 1 1 53 53 ALA H H 53 7.423 7.423 7.822 -0.399 25943 5756 1 14 . 1 1 54 54 THR N N 54 113.210 113.210 116.762 -3.552 25943 5757 1 14 . 1 1 54 54 THR HA H 54 3.712 3.712 4.103 -0.391 25943 5758 1 14 . 1 1 54 54 THR CA C 54 66.864 66.864 66.935 -0.071 25943 5759 1 14 . 1 1 54 54 THR CB C 54 68.868 68.868 68.623 0.245 25943 5760 1 14 . 1 1 54 54 THR H H 54 7.683 7.683 7.628 0.055 25943 5761 1 14 . 1 1 55 55 LEU N N 55 122.800 122.800 122.651 0.149 25943 5762 1 14 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.154 0.020 25943 5763 1 14 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.695 -0.292 25943 5764 1 14 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.337 1.701 25943 5765 1 14 . 1 1 55 55 LEU H H 55 8.314 8.314 7.867 0.447 25943 5766 1 14 . 1 1 56 56 MET N N 56 115.790 115.790 118.859 -3.069 25943 5767 1 14 . 1 1 56 56 MET HA H 56 3.831 3.831 4.097 -0.266 25943 5768 1 14 . 1 1 56 56 MET CA C 56 60.849 60.849 59.821 1.028 25943 5769 1 14 . 1 1 56 56 MET CB C 56 34.668 34.668 32.803 1.865 25943 5770 1 14 . 1 1 56 56 MET H H 56 8.379 8.379 7.769 0.610 25943 5771 1 14 . 1 1 57 57 ILE N N 57 120.370 120.370 119.346 1.024 25943 5772 1 14 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.676 -0.239 25943 5773 1 14 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.765 0.085 25943 5774 1 14 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.916 0.436 25943 5775 1 14 . 1 1 57 57 ILE H H 57 8.007 8.007 7.943 0.064 25943 5776 1 14 . 1 1 58 58 ASP N N 58 122.569 122.569 119.657 2.912 25943 5777 1 14 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.410 -0.063 25943 5778 1 14 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.061 -0.399 25943 5779 1 14 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.169 -3.259 25943 5780 1 14 . 1 1 58 58 ASP H H 58 9.271 9.271 8.164 1.107 25943 5781 1 14 . 1 1 59 59 PHE N N 59 114.340 114.340 118.383 -4.043 25943 5782 1 14 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.444 -0.220 25943 5783 1 14 . 1 1 59 59 PHE CA C 59 61.376 61.376 59.937 1.439 25943 5784 1 14 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.992 0.538 25943 5785 1 14 . 1 1 59 59 PHE H H 59 8.025 8.025 7.993 0.032 25943 5786 1 14 . 1 1 60 60 ASN N N 60 112.830 112.830 116.173 -3.343 25943 5787 1 14 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.778 -0.646 25943 5788 1 14 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.023 1.591 25943 5789 1 14 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.648 2.312 25943 5790 1 14 . 1 1 60 60 ASN H H 60 7.601 7.601 7.864 -0.263 25943 5791 1 14 . 1 1 61 61 GLY N N 61 110.840 110.840 107.845 2.995 25943 5792 1 14 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.630 0.112 25943 5793 1 14 . 1 1 61 61 GLY H H 61 8.626 8.626 7.494 1.132 25943 5794 1 14 . 1 1 62 62 GLU N N 62 117.990 117.990 122.187 -4.197 25943 5795 1 14 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.995 -0.063 25943 5796 1 14 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.362 2.377 25943 5797 1 14 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.681 0.567 25943 5798 1 14 . 1 1 62 62 GLU H H 62 8.841 8.841 8.897 -0.056 25943 5799 1 14 . 1 1 63 63 GLU N N 63 118.090 118.090 119.584 -1.494 25943 5800 1 14 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.217 -0.189 25943 5801 1 14 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.297 1.455 25943 5802 1 14 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.095 -0.771 25943 5803 1 14 . 1 1 63 63 GLU H H 63 8.535 8.535 8.720 -0.185 25943 5804 1 14 . 1 1 64 64 LYS N N 64 119.720 119.720 119.625 0.095 25943 5805 1 14 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.193 -0.111 25943 5806 1 14 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.866 0.318 25943 5807 1 14 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.362 -0.604 25943 5808 1 14 . 1 1 64 64 LYS H H 64 9.107 9.107 8.246 0.861 25943 5809 1 14 . 1 1 65 65 ALA N N 65 120.030 120.030 122.066 -2.036 25943 5810 1 14 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.041 -0.123 25943 5811 1 14 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.014 0.919 25943 5812 1 14 . 1 1 65 65 ALA CB C 65 19.589 19.589 17.946 1.643 25943 5813 1 14 . 1 1 65 65 ALA H H 65 8.179 8.179 8.041 0.138 25943 5814 1 14 . 1 1 66 66 TRP N N 66 116.210 116.210 118.894 -2.684 25943 5815 1 14 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.185 -0.211 25943 5816 1 14 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.732 0.570 25943 5817 1 14 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.436 -0.481 25943 5818 1 14 . 1 1 66 66 TRP H H 66 7.900 7.900 7.596 0.304 25943 5819 1 14 . 1 1 67 67 ALA N N 67 119.640 119.640 121.349 -1.709 25943 5820 1 14 . 1 1 67 67 ALA HA H 67 4.031 4.031 3.924 0.107 25943 5821 1 14 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.066 0.546 25943 5822 1 14 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.246 -0.140 25943 5823 1 14 . 1 1 67 67 ALA H H 67 7.754 7.754 7.740 0.014 25943 5824 1 14 . 1 1 68 68 MET N N 68 118.260 118.260 117.881 0.379 25943 5825 1 14 . 1 1 68 68 MET HA H 68 4.262 4.262 4.214 0.048 25943 5826 1 14 . 1 1 68 68 MET CA C 68 58.647 58.647 57.096 1.551 25943 5827 1 14 . 1 1 68 68 MET CB C 68 34.369 34.369 32.316 2.053 25943 5828 1 14 . 1 1 68 68 MET H H 68 8.500 8.500 8.182 0.318 25943 5829 1 14 . 1 1 69 69 ALA N N 69 120.358 120.358 122.360 -2.002 25943 5830 1 14 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.886 -0.313 25943 5831 1 14 . 1 1 69 69 ALA CA C 69 55.629 55.629 54.809 0.820 25943 5832 1 14 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.281 -0.568 25943 5833 1 14 . 1 1 69 69 ALA H H 69 7.922 7.922 7.779 0.143 25943 5834 1 14 . 1 1 70 70 VAL N N 70 114.916 114.916 118.150 -3.234 25943 5835 1 14 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.548 -0.145 25943 5836 1 14 . 1 1 70 70 VAL CA C 70 67.934 67.934 66.327 1.607 25943 5837 1 14 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.812 0.476 25943 5838 1 14 . 1 1 70 70 VAL H H 70 8.202 8.202 7.867 0.335 25943 5839 1 14 . 1 1 71 71 TRP N N 71 118.400 118.400 121.054 -2.654 25943 5840 1 14 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.187 -0.050 25943 5841 1 14 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.442 0.820 25943 5842 1 14 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.614 -0.372 25943 5843 1 14 . 1 1 71 71 TRP H H 71 7.806 7.806 7.600 0.206 25943 5844 1 14 . 1 1 72 72 ILE N N 72 119.430 119.430 118.642 0.788 25943 5845 1 14 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.399 -0.277 25943 5846 1 14 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.797 1.066 25943 5847 1 14 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.563 -0.893 25943 5848 1 14 . 1 1 72 72 ILE H H 72 8.654 8.654 7.430 1.224 25943 5849 1 14 . 1 1 73 73 PHE N N 73 118.760 118.760 119.088 -0.328 25943 5850 1 14 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.109 0.405 25943 5851 1 14 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.900 -0.746 25943 5852 1 14 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.380 -0.059 25943 5853 1 14 . 1 1 73 73 PHE H H 73 9.015 9.015 6.908 2.107 25943 5854 1 14 . 1 1 74 74 ALA N N 74 118.190 118.190 119.884 -1.694 25943 5855 1 14 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.957 -0.296 25943 5856 1 14 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.463 0.699 25943 5857 1 14 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.616 -0.465 25943 5858 1 14 . 1 1 74 74 ALA H H 74 7.363 7.363 7.679 -0.316 25943 5859 1 14 . 1 1 75 75 ALA N N 75 122.920 122.920 122.655 0.265 25943 5860 1 14 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.871 -0.136 25943 5861 1 14 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.196 0.430 25943 5862 1 14 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.433 -0.856 25943 5863 1 14 . 1 1 75 75 ALA H H 75 7.640 7.640 7.285 0.355 25943 5864 1 14 . 1 1 76 76 ILE N N 76 108.850 108.850 111.682 -2.832 25943 5865 1 14 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.143 0.353 25943 5866 1 14 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.450 0.229 25943 5867 1 14 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.540 0.852 25943 5868 1 14 . 1 1 76 76 ILE H H 76 7.901 7.901 7.350 0.551 25943 5869 1 14 . 1 1 77 77 ASN N N 77 116.232 116.232 118.377 -2.145 25943 5870 1 14 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.333 -0.075 25943 5871 1 14 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.235 0.835 25943 5872 1 14 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.432 -0.514 25943 5873 1 14 . 1 1 77 77 ASN H H 77 7.865 7.865 7.601 0.264 25943 5874 1 14 . 1 1 78 78 ARG N N 78 118.810 118.810 118.748 0.062 25943 5875 1 14 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.559 0.409 25943 5876 1 14 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.314 -4.391 25943 5877 1 14 . 1 1 78 78 ARG CB C 78 26.617 26.617 31.244 -4.627 25943 5878 1 14 . 1 1 78 78 ARG H H 78 8.325 8.325 7.829 0.496 25943 5879 1 14 . 1 1 79 79 ARG N N 79 122.270 122.270 121.531 0.739 25943 5880 1 14 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.973 -0.062 25943 5881 1 14 . 1 1 79 79 ARG CA C 79 59.194 59.194 60.026 -0.832 25943 5882 1 14 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.664 -0.106 25943 5883 1 14 . 1 1 79 79 ARG H H 79 8.171 8.171 8.739 -0.568 25943 5884 1 14 . 1 1 80 80 ASP N N 80 117.180 117.180 118.161 -0.981 25943 5885 1 14 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.588 -0.729 25943 5886 1 14 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.692 -0.527 25943 5887 1 14 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.062 -1.690 25943 5888 1 14 . 1 1 80 80 ASP H H 80 9.124 9.124 8.523 0.601 25943 5889 1 14 . 1 1 81 81 LEU N N 81 120.540 120.540 120.407 0.133 25943 5890 1 14 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.013 -0.174 25943 5891 1 14 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.205 -0.442 25943 5892 1 14 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.819 -1.530 25943 5893 1 14 . 1 1 81 81 LEU H H 81 7.267 7.267 8.307 -1.040 25943 5894 1 14 . 1 1 82 82 TYR N N 82 119.140 119.140 120.004 -0.864 25943 5895 1 14 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.242 -0.083 25943 5896 1 14 . 1 1 82 82 TYR CA C 82 62.239 62.239 60.461 1.778 25943 5897 1 14 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.206 0.485 25943 5898 1 14 . 1 1 82 82 TYR H H 82 8.041 8.041 8.069 -0.028 25943 5899 1 14 . 1 1 83 83 GLU N N 83 115.620 115.620 119.021 -3.401 25943 5900 1 14 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.537 0.159 25943 5901 1 14 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.217 -0.137 25943 5902 1 14 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.246 -0.109 25943 5903 1 14 . 1 1 83 83 GLU H H 83 8.194 8.194 7.633 0.561 25943 5904 1 14 . 1 1 84 84 LYS N N 84 118.080 118.080 119.308 -1.228 25943 5905 1 14 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.099 -0.182 25943 5906 1 14 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.569 1.194 25943 5907 1 14 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.643 0.731 25943 5908 1 14 . 1 1 84 84 LYS H H 84 7.446 7.446 7.425 0.021 25943 5909 1 14 . 1 1 85 85 ALA N N 85 120.470 120.470 121.835 -1.365 25943 5910 1 14 . 1 1 85 85 ALA HA H 85 4.123 4.123 3.888 0.235 25943 5911 1 14 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.311 -0.201 25943 5912 1 14 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.446 -0.064 25943 5913 1 14 . 1 1 85 85 ALA H H 85 8.651 8.651 8.055 0.596 25943 5914 1 14 . 1 1 86 86 LYS N N 86 117.610 117.610 117.025 0.585 25943 5915 1 14 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.932 0.078 25943 5916 1 14 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.528 0.641 25943 5917 1 14 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.074 -0.283 25943 5918 1 14 . 1 1 86 86 LYS H H 86 8.059 8.059 7.538 0.521 25943 5919 1 14 . 1 1 87 87 ARG N N 87 116.900 116.900 118.703 -1.803 25943 5920 1 14 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.106 0.059 25943 5921 1 14 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.421 -0.721 25943 5922 1 14 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.328 -0.012 25943 5923 1 14 . 1 1 87 87 ARG H H 87 7.196 7.196 7.475 -0.279 25943 5924 1 14 . 1 1 88 88 ASP N N 88 119.290 119.290 118.088 1.202 25943 5925 1 14 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.688 0.006 25943 5926 1 14 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.417 -0.748 25943 5927 1 14 . 1 1 88 88 ASP CB C 88 42.419 42.419 42.208 0.211 25943 5928 1 14 . 1 1 88 88 ASP H H 88 7.507 7.507 7.679 -0.172 25943 5929 1 14 . 1 1 89 89 GLU N N 89 119.970 119.970 121.347 -1.377 25943 5930 1 14 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.129 -0.725 25943 5931 1 14 . 1 1 89 89 GLU CA C 89 54.435 54.435 55.014 -0.579 25943 5932 1 14 . 1 1 89 89 GLU CB C 89 28.221 28.221 30.026 -1.805 25943 5933 1 14 . 1 1 89 89 GLU H H 89 7.337 7.337 7.339 -0.002 25943 5934 1 14 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.413 -0.207 25943 5935 1 14 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.765 0.491 25943 5936 1 14 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.342 -0.549 25943 5937 1 15 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.441 -0.285 25943 5938 1 15 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.136 -0.433 25943 5939 1 15 . 1 1 2 2 ALA CB C 2 19.641 19.641 18.194 1.447 25943 5940 1 15 . 1 1 3 3 SER N N 3 115.850 115.850 118.618 -2.768 25943 5941 1 15 . 1 1 3 3 SER HA H 3 4.696 4.696 4.488 0.208 25943 5942 1 15 . 1 1 3 3 SER CA C 3 57.756 57.756 56.886 0.870 25943 5943 1 15 . 1 1 3 3 SER CB C 3 64.325 64.325 64.470 -0.145 25943 5944 1 15 . 1 1 3 3 SER H H 3 8.757 8.757 8.256 0.501 25943 5945 1 15 . 1 1 4 4 THR N N 4 118.590 118.590 119.910 -1.320 25943 5946 1 15 . 1 1 4 4 THR HA H 4 4.213 4.213 4.145 0.068 25943 5947 1 15 . 1 1 4 4 THR CA C 4 64.714 64.714 65.385 -0.671 25943 5948 1 15 . 1 1 4 4 THR CB C 4 68.864 68.864 68.822 0.042 25943 5949 1 15 . 1 1 4 4 THR H H 4 8.854 8.854 8.631 0.223 25943 5950 1 15 . 1 1 5 5 ARG N N 5 122.240 122.240 120.959 1.281 25943 5951 1 15 . 1 1 5 5 ARG HA H 5 3.969 3.969 3.916 0.053 25943 5952 1 15 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.166 -0.907 25943 5953 1 15 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.791 0.480 25943 5954 1 15 . 1 1 5 5 ARG H H 5 8.535 8.535 7.762 0.773 25943 5955 1 15 . 1 1 6 6 CYS N N 6 118.400 118.400 116.516 1.884 25943 5956 1 15 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.183 0.064 25943 5957 1 15 . 1 1 6 6 CYS CA C 6 61.224 61.224 62.480 -1.256 25943 5958 1 15 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.296 -0.093 25943 5959 1 15 . 1 1 6 6 CYS H H 6 8.174 8.174 8.128 0.046 25943 5960 1 15 . 1 1 7 7 LYS N N 7 123.084 123.084 121.463 1.621 25943 5961 1 15 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.113 -0.045 25943 5962 1 15 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.564 0.120 25943 5963 1 15 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.363 0.474 25943 5964 1 15 . 1 1 7 7 LYS H H 7 8.395 8.395 7.327 1.067 25943 5965 1 15 . 1 1 8 8 LEU N N 8 120.110 120.110 119.559 0.551 25943 5966 1 15 . 1 1 8 8 LEU HA H 8 3.974 3.974 3.909 0.065 25943 5967 1 15 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.668 0.570 25943 5968 1 15 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.656 -0.202 25943 5969 1 15 . 1 1 8 8 LEU H H 8 8.546 8.546 8.306 0.240 25943 5970 1 15 . 1 1 9 9 ALA N N 9 118.910 118.910 122.036 -3.126 25943 5971 1 15 . 1 1 9 9 ALA HA H 9 3.876 3.876 3.992 -0.116 25943 5972 1 15 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.169 0.467 25943 5973 1 15 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.274 0.301 25943 5974 1 15 . 1 1 9 9 ALA H H 9 8.076 8.076 8.297 -0.221 25943 5975 1 15 . 1 1 10 10 ARG N N 10 116.760 116.760 118.302 -1.542 25943 5976 1 15 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.023 -0.071 25943 5977 1 15 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.214 -0.504 25943 5978 1 15 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.294 -0.570 25943 5979 1 15 . 1 1 10 10 ARG H H 10 7.556 7.556 7.655 -0.099 25943 5980 1 15 . 1 1 11 11 TYR N N 11 117.102 117.102 119.784 -2.682 25943 5981 1 15 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.473 -0.126 25943 5982 1 15 . 1 1 11 11 TYR CA C 11 61.698 61.698 60.921 0.777 25943 5983 1 15 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.390 -0.082 25943 5984 1 15 . 1 1 11 11 TYR H H 11 7.510 7.510 7.740 -0.230 25943 5985 1 15 . 1 1 12 12 LEU N N 12 116.791 116.791 117.886 -1.095 25943 5986 1 15 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.975 -0.078 25943 5987 1 15 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.137 0.439 25943 5988 1 15 . 1 1 12 12 LEU CB C 12 40.946 40.946 42.023 -1.077 25943 5989 1 15 . 1 1 12 12 LEU H H 12 7.893 7.893 8.158 -0.265 25943 5990 1 15 . 1 1 13 13 GLU N N 13 117.866 117.866 117.953 -0.087 25943 5991 1 15 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.058 -0.810 25943 5992 1 15 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.187 -0.520 25943 5993 1 15 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.521 -1.268 25943 5994 1 15 . 1 1 13 13 GLU H H 13 7.975 7.975 7.799 0.176 25943 5995 1 15 . 1 1 14 14 ASP N N 14 116.190 116.190 116.398 -0.208 25943 5996 1 15 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.380 0.257 25943 5997 1 15 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.850 -0.715 25943 5998 1 15 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.349 -1.695 25943 5999 1 15 . 1 1 14 14 ASP H H 14 7.293 7.293 7.756 -0.463 25943 6000 1 15 . 1 1 15 15 LEU N N 15 119.530 119.530 119.124 0.406 25943 6001 1 15 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.174 0.135 25943 6002 1 15 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.498 0.191 25943 6003 1 15 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.594 -0.664 25943 6004 1 15 . 1 1 15 15 LEU H H 15 7.301 7.301 7.199 0.102 25943 6005 1 15 . 1 1 16 16 GLU N N 16 121.840 121.840 119.432 2.408 25943 6006 1 15 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.326 0.190 25943 6007 1 15 . 1 1 16 16 GLU CA C 16 55.806 55.806 55.409 0.397 25943 6008 1 15 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.621 -2.389 25943 6009 1 15 . 1 1 16 16 GLU H H 16 8.837 8.837 8.416 0.420 25943 6010 1 15 . 1 1 17 17 ASP N N 17 122.070 122.070 122.059 0.011 25943 6011 1 15 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.332 0.017 25943 6012 1 15 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.806 0.962 25943 6013 1 15 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.941 -0.583 25943 6014 1 15 . 1 1 17 17 ASP H H 17 8.951 8.951 8.800 0.151 25943 6015 1 15 . 1 1 18 18 VAL N N 18 118.150 118.150 119.242 -1.092 25943 6016 1 15 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.797 0.062 25943 6017 1 15 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.643 0.343 25943 6018 1 15 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.933 -0.391 25943 6019 1 15 . 1 1 18 18 VAL H H 18 8.613 8.613 7.922 0.691 25943 6020 1 15 . 1 1 19 19 ASP N N 19 120.600 120.600 119.065 1.535 25943 6021 1 15 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.463 0.243 25943 6022 1 15 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.846 -0.026 25943 6023 1 15 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.416 1.442 25943 6024 1 15 . 1 1 19 19 ASP H H 19 7.358 7.358 8.355 -0.997 25943 6025 1 15 . 1 1 20 20 LEU N N 20 123.020 123.020 119.963 3.057 25943 6026 1 15 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.048 0.099 25943 6027 1 15 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.549 0.566 25943 6028 1 15 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.881 -0.962 25943 6029 1 15 . 1 1 20 20 LEU H H 20 8.635 8.635 8.245 0.390 25943 6030 1 15 . 1 1 21 21 LYS N N 21 119.120 119.120 119.482 -0.362 25943 6031 1 15 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.059 -0.027 25943 6032 1 15 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.477 0.862 25943 6033 1 15 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.240 0.051 25943 6034 1 15 . 1 1 21 21 LYS H H 21 7.914 7.914 7.516 0.398 25943 6035 1 15 . 1 1 22 22 LYS N N 22 118.660 118.660 118.880 -0.220 25943 6036 1 15 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.036 0.144 25943 6037 1 15 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.205 0.974 25943 6038 1 15 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.295 1.320 25943 6039 1 15 . 1 1 22 22 LYS H H 22 7.715 7.715 7.521 0.194 25943 6040 1 15 . 1 1 23 23 PHE N N 23 123.360 123.360 120.652 2.708 25943 6041 1 15 . 1 1 23 23 PHE HA H 23 3.971 3.971 3.986 -0.015 25943 6042 1 15 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.169 0.221 25943 6043 1 15 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.353 1.100 25943 6044 1 15 . 1 1 23 23 PHE H H 23 9.148 9.148 7.894 1.254 25943 6045 1 15 . 1 1 24 24 LYS N N 24 117.660 117.660 120.057 -2.397 25943 6046 1 15 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.018 -0.243 25943 6047 1 15 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.504 1.711 25943 6048 1 15 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.565 0.742 25943 6049 1 15 . 1 1 24 24 LYS H H 24 8.750 8.750 7.657 1.093 25943 6050 1 15 . 1 1 25 25 MET N N 25 118.140 118.140 118.461 -0.321 25943 6051 1 15 . 1 1 25 25 MET HA H 25 3.955 3.955 4.180 -0.225 25943 6052 1 15 . 1 1 25 25 MET CA C 25 59.261 59.261 57.693 1.568 25943 6053 1 15 . 1 1 25 25 MET CB C 25 32.276 32.276 32.178 0.097 25943 6054 1 15 . 1 1 25 25 MET H H 25 8.005 8.005 8.163 -0.158 25943 6055 1 15 . 1 1 26 26 HIS N N 26 114.610 114.610 117.276 -2.666 25943 6056 1 15 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.374 -0.053 25943 6057 1 15 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.254 0.954 25943 6058 1 15 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.363 0.209 25943 6059 1 15 . 1 1 26 26 HIS H H 26 7.779 7.779 7.643 0.136 25943 6060 1 15 . 1 1 27 27 LEU N N 27 119.460 119.460 120.344 -0.884 25943 6061 1 15 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.144 -0.143 25943 6062 1 15 . 1 1 27 27 LEU CA C 27 57.746 57.746 56.954 0.792 25943 6063 1 15 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.687 1.219 25943 6064 1 15 . 1 1 27 27 LEU H H 27 7.954 7.954 7.560 0.394 25943 6065 1 15 . 1 1 28 28 GLU N N 28 116.810 116.810 118.297 -1.487 25943 6066 1 15 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.082 0.221 25943 6067 1 15 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.347 -1.107 25943 6068 1 15 . 1 1 28 28 GLU CB C 28 28.501 28.501 30.277 -1.776 25943 6069 1 15 . 1 1 28 28 GLU H H 28 7.870 7.870 8.275 -0.405 25943 6070 1 15 . 1 1 29 29 ASP N N 29 116.732 116.732 117.094 -0.362 25943 6071 1 15 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.857 0.011 25943 6072 1 15 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.530 -1.403 25943 6073 1 15 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.712 -1.782 25943 6074 1 15 . 1 1 29 29 ASP H H 29 7.548 7.548 7.470 0.078 25943 6075 1 15 . 1 1 30 30 TYR N N 30 125.460 125.460 123.395 2.065 25943 6076 1 15 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.539 -0.205 25943 6077 1 15 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.816 1.934 25943 6078 1 15 . 1 1 30 30 TYR CB C 30 39.049 39.049 39.392 -0.344 25943 6079 1 15 . 1 1 30 30 TYR H H 30 6.837 6.837 7.565 -0.728 25943 6080 1 15 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.590 -0.057 25943 6081 1 15 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.972 0.350 25943 6082 1 15 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.950 -1.621 25943 6083 1 15 . 1 1 33 33 GLN N N 33 120.060 120.060 120.792 -0.732 25943 6084 1 15 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.332 -0.045 25943 6085 1 15 . 1 1 33 33 GLN CA C 33 56.012 56.012 57.505 -1.493 25943 6086 1 15 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.551 0.179 25943 6087 1 15 . 1 1 33 33 GLN H H 33 8.453 8.453 8.876 -0.423 25943 6088 1 15 . 1 1 34 34 LYS N N 34 121.020 121.020 116.459 4.561 25943 6089 1 15 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.552 -0.425 25943 6090 1 15 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.362 0.886 25943 6091 1 15 . 1 1 34 34 LYS CB C 34 31.837 31.837 33.293 -1.456 25943 6092 1 15 . 1 1 34 34 LYS H H 34 8.376 8.376 8.294 0.082 25943 6093 1 15 . 1 1 35 35 GLY N N 35 110.370 110.370 109.399 0.971 25943 6094 1 15 . 1 1 35 35 GLY CA C 35 45.999 45.999 44.701 1.298 25943 6095 1 15 . 1 1 35 35 GLY H H 35 8.630 8.630 8.580 0.050 25943 6096 1 15 . 1 1 36 36 CYS N N 36 117.850 117.850 119.399 -1.549 25943 6097 1 15 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.554 0.130 25943 6098 1 15 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.057 -0.565 25943 6099 1 15 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.733 1.186 25943 6100 1 15 . 1 1 36 36 CYS H H 36 7.855 7.855 7.725 0.130 25943 6101 1 15 . 1 1 37 37 ILE N N 37 125.540 125.540 128.191 -2.651 25943 6102 1 15 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.309 0.295 25943 6103 1 15 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.337 -1.094 25943 6104 1 15 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.168 1.160 25943 6105 1 15 . 1 1 37 37 ILE H H 37 9.362 9.362 8.436 0.926 25943 6106 1 15 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.396 -0.046 25943 6107 1 15 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.520 -0.275 25943 6108 1 15 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.042 0.418 25943 6109 1 15 . 1 1 39 39 LEU N N 39 120.950 120.950 126.524 -5.574 25943 6110 1 15 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.330 -0.440 25943 6111 1 15 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.950 -0.597 25943 6112 1 15 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.840 0.537 25943 6113 1 15 . 1 1 39 39 LEU H H 39 7.503 7.503 8.409 -0.905 25943 6114 1 15 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.422 -0.072 25943 6115 1 15 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.917 -0.616 25943 6116 1 15 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.277 -0.029 25943 6117 1 15 . 1 1 41 41 ARG N N 41 127.030 127.030 125.104 1.926 25943 6118 1 15 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.970 -0.142 25943 6119 1 15 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.467 1.237 25943 6120 1 15 . 1 1 41 41 ARG CB C 41 30.281 30.281 29.457 0.824 25943 6121 1 15 . 1 1 41 41 ARG H H 41 8.997 8.997 8.695 0.302 25943 6122 1 15 . 1 1 42 42 GLY N N 42 106.770 106.770 107.555 -0.785 25943 6123 1 15 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.613 0.892 25943 6124 1 15 . 1 1 42 42 GLY H H 42 8.820 8.820 8.556 0.264 25943 6125 1 15 . 1 1 43 43 GLN N N 43 118.070 118.070 120.570 -2.500 25943 6126 1 15 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.242 -0.228 25943 6127 1 15 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.398 0.298 25943 6128 1 15 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.355 1.465 25943 6129 1 15 . 1 1 43 43 GLN H H 43 7.724 7.724 7.787 -0.063 25943 6130 1 15 . 1 1 44 44 THR N N 44 115.670 115.670 116.360 -0.690 25943 6131 1 15 . 1 1 44 44 THR HA H 44 4.220 4.220 3.993 0.227 25943 6132 1 15 . 1 1 44 44 THR CA C 44 67.781 67.781 66.773 1.008 25943 6133 1 15 . 1 1 44 44 THR CB C 44 67.781 67.781 68.653 -0.872 25943 6134 1 15 . 1 1 44 44 THR H H 44 7.641 7.641 8.014 -0.373 25943 6135 1 15 . 1 1 45 45 GLU N N 45 119.340 119.340 121.449 -2.109 25943 6136 1 15 . 1 1 45 45 GLU HA H 45 3.750 3.750 3.980 -0.230 25943 6137 1 15 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.973 0.856 25943 6138 1 15 . 1 1 45 45 GLU CB C 45 29.325 29.325 28.910 0.416 25943 6139 1 15 . 1 1 45 45 GLU H H 45 8.412 8.412 8.313 0.099 25943 6140 1 15 . 1 1 46 46 LYS N N 46 115.700 115.700 118.542 -2.842 25943 6141 1 15 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.113 0.059 25943 6142 1 15 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.412 0.425 25943 6143 1 15 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.793 0.488 25943 6144 1 15 . 1 1 46 46 LYS H H 46 7.289 7.289 7.549 -0.260 25943 6145 1 15 . 1 1 47 47 ALA N N 47 121.880 121.880 122.820 -0.940 25943 6146 1 15 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.278 0.009 25943 6147 1 15 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.251 0.850 25943 6148 1 15 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.819 -0.143 25943 6149 1 15 . 1 1 47 47 ALA H H 47 7.072 7.072 7.271 -0.199 25943 6150 1 15 . 1 1 48 48 ASP N N 48 121.440 121.440 123.333 -1.893 25943 6151 1 15 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.417 0.246 25943 6152 1 15 . 1 1 48 48 ASP CA C 48 52.046 52.046 52.904 -0.858 25943 6153 1 15 . 1 1 48 48 ASP CB C 48 39.703 39.703 41.797 -2.094 25943 6154 1 15 . 1 1 48 48 ASP H H 48 8.654 8.654 8.082 0.572 25943 6155 1 15 . 1 1 49 49 HIS N N 49 112.540 112.540 117.579 -5.039 25943 6156 1 15 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.205 -0.233 25943 6157 1 15 . 1 1 49 49 HIS CA C 49 60.276 60.276 60.660 -0.384 25943 6158 1 15 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.708 -0.967 25943 6159 1 15 . 1 1 49 49 HIS H H 49 8.316 8.316 8.373 -0.057 25943 6160 1 15 . 1 1 50 50 VAL N N 50 117.460 117.460 118.890 -1.430 25943 6161 1 15 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.675 0.002 25943 6162 1 15 . 1 1 50 50 VAL CA C 50 65.823 65.823 65.719 0.103 25943 6163 1 15 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.705 0.098 25943 6164 1 15 . 1 1 50 50 VAL H H 50 7.610 7.610 7.998 -0.388 25943 6165 1 15 . 1 1 51 51 ASP N N 51 121.430 121.430 120.256 1.174 25943 6166 1 15 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.443 -0.008 25943 6167 1 15 . 1 1 51 51 ASP CA C 51 56.592 56.592 56.655 -0.063 25943 6168 1 15 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.959 -1.544 25943 6169 1 15 . 1 1 51 51 ASP H H 51 8.490 8.490 8.610 -0.120 25943 6170 1 15 . 1 1 52 52 LEU N N 52 121.030 121.030 120.399 0.631 25943 6171 1 15 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.885 0.082 25943 6172 1 15 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.257 -0.580 25943 6173 1 15 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.788 -0.080 25943 6174 1 15 . 1 1 52 52 LEU H H 52 8.649 8.649 8.581 0.068 25943 6175 1 15 . 1 1 53 53 ALA N N 53 120.440 120.440 119.256 1.184 25943 6176 1 15 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.039 -0.104 25943 6177 1 15 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.731 0.867 25943 6178 1 15 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.334 -0.240 25943 6179 1 15 . 1 1 53 53 ALA H H 53 7.423 7.423 7.646 -0.223 25943 6180 1 15 . 1 1 54 54 THR N N 54 113.210 113.210 115.865 -2.655 25943 6181 1 15 . 1 1 54 54 THR HA H 54 3.712 3.712 4.119 -0.407 25943 6182 1 15 . 1 1 54 54 THR CA C 54 66.864 66.864 66.653 0.211 25943 6183 1 15 . 1 1 54 54 THR CB C 54 68.868 68.868 68.613 0.255 25943 6184 1 15 . 1 1 54 54 THR H H 54 7.683 7.683 7.473 0.210 25943 6185 1 15 . 1 1 55 55 LEU N N 55 122.800 122.800 122.159 0.641 25943 6186 1 15 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.039 0.135 25943 6187 1 15 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.135 0.268 25943 6188 1 15 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.359 1.679 25943 6189 1 15 . 1 1 55 55 LEU H H 55 8.314 8.314 8.193 0.121 25943 6190 1 15 . 1 1 56 56 MET N N 56 115.790 115.790 118.165 -2.375 25943 6191 1 15 . 1 1 56 56 MET HA H 56 3.831 3.831 4.127 -0.296 25943 6192 1 15 . 1 1 56 56 MET CA C 56 60.849 60.849 59.582 1.267 25943 6193 1 15 . 1 1 56 56 MET CB C 56 34.668 34.668 32.891 1.777 25943 6194 1 15 . 1 1 56 56 MET H H 56 8.379 8.379 7.707 0.672 25943 6195 1 15 . 1 1 57 57 ILE N N 57 120.370 120.370 115.709 4.661 25943 6196 1 15 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.997 -0.560 25943 6197 1 15 . 1 1 57 57 ILE CA C 57 64.850 64.850 63.632 1.218 25943 6198 1 15 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.842 0.510 25943 6199 1 15 . 1 1 57 57 ILE H H 57 8.007 8.007 7.452 0.555 25943 6200 1 15 . 1 1 58 58 ASP N N 58 122.569 122.569 120.310 2.259 25943 6201 1 15 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.403 -0.056 25943 6202 1 15 . 1 1 58 58 ASP CA C 58 56.662 56.662 56.834 -0.172 25943 6203 1 15 . 1 1 58 58 ASP CB C 58 37.910 37.910 40.818 -2.908 25943 6204 1 15 . 1 1 58 58 ASP H H 58 9.271 9.271 8.080 1.191 25943 6205 1 15 . 1 1 59 59 PHE N N 59 114.340 114.340 119.143 -4.803 25943 6206 1 15 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.362 -0.138 25943 6207 1 15 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.327 1.049 25943 6208 1 15 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.980 0.550 25943 6209 1 15 . 1 1 59 59 PHE H H 59 8.025 8.025 8.247 -0.222 25943 6210 1 15 . 1 1 60 60 ASN N N 60 112.830 112.830 115.283 -2.453 25943 6211 1 15 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.821 -0.689 25943 6212 1 15 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.087 1.527 25943 6213 1 15 . 1 1 60 60 ASN CB C 60 42.960 42.960 39.935 3.025 25943 6214 1 15 . 1 1 60 60 ASN H H 60 7.601 7.601 7.853 -0.252 25943 6215 1 15 . 1 1 61 61 GLY N N 61 110.840 110.840 106.354 4.486 25943 6216 1 15 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.378 0.364 25943 6217 1 15 . 1 1 61 61 GLY H H 61 8.626 8.626 7.148 1.478 25943 6218 1 15 . 1 1 62 62 GLU N N 62 117.990 117.990 121.026 -3.036 25943 6219 1 15 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.931 0.001 25943 6220 1 15 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.632 2.107 25943 6221 1 15 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.938 0.310 25943 6222 1 15 . 1 1 62 62 GLU H H 62 8.841 8.841 8.939 -0.098 25943 6223 1 15 . 1 1 63 63 GLU N N 63 118.090 118.090 118.947 -0.857 25943 6224 1 15 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.310 -0.282 25943 6225 1 15 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.835 0.917 25943 6226 1 15 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.719 -0.395 25943 6227 1 15 . 1 1 63 63 GLU H H 63 8.535 8.535 8.753 -0.218 25943 6228 1 15 . 1 1 64 64 LYS N N 64 119.720 119.720 120.016 -0.296 25943 6229 1 15 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.082 -0.000 25943 6230 1 15 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.836 0.348 25943 6231 1 15 . 1 1 64 64 LYS CB C 64 31.758 31.758 31.945 -0.187 25943 6232 1 15 . 1 1 64 64 LYS H H 64 9.107 9.107 8.189 0.918 25943 6233 1 15 . 1 1 65 65 ALA N N 65 120.030 120.030 121.368 -1.338 25943 6234 1 15 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.079 -0.161 25943 6235 1 15 . 1 1 65 65 ALA CA C 65 55.934 55.934 54.898 1.036 25943 6236 1 15 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.109 1.480 25943 6237 1 15 . 1 1 65 65 ALA H H 65 8.179 8.179 7.799 0.380 25943 6238 1 15 . 1 1 66 66 TRP N N 66 116.210 116.210 119.524 -3.314 25943 6239 1 15 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.203 -0.229 25943 6240 1 15 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.530 0.772 25943 6241 1 15 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.269 -0.314 25943 6242 1 15 . 1 1 66 66 TRP H H 66 7.900 7.900 7.590 0.310 25943 6243 1 15 . 1 1 67 67 ALA N N 67 119.640 119.640 121.744 -2.104 25943 6244 1 15 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.123 -0.092 25943 6245 1 15 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.033 0.579 25943 6246 1 15 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.213 -0.107 25943 6247 1 15 . 1 1 67 67 ALA H H 67 7.754 7.754 7.689 0.065 25943 6248 1 15 . 1 1 68 68 MET N N 68 118.260 118.260 117.623 0.637 25943 6249 1 15 . 1 1 68 68 MET HA H 68 4.262 4.262 4.125 0.137 25943 6250 1 15 . 1 1 68 68 MET CA C 68 58.647 58.647 59.053 -0.406 25943 6251 1 15 . 1 1 68 68 MET CB C 68 34.369 34.369 32.691 1.678 25943 6252 1 15 . 1 1 68 68 MET H H 68 8.500 8.500 7.705 0.795 25943 6253 1 15 . 1 1 69 69 ALA N N 69 120.358 120.358 122.284 -1.926 25943 6254 1 15 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.903 -0.330 25943 6255 1 15 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.036 0.593 25943 6256 1 15 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.484 -0.771 25943 6257 1 15 . 1 1 69 69 ALA H H 69 7.922 7.922 8.381 -0.459 25943 6258 1 15 . 1 1 70 70 VAL N N 70 114.916 114.916 115.465 -0.549 25943 6259 1 15 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.836 -0.433 25943 6260 1 15 . 1 1 70 70 VAL CA C 70 67.934 67.934 64.999 2.935 25943 6261 1 15 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.361 0.927 25943 6262 1 15 . 1 1 70 70 VAL H H 70 8.202 8.202 7.777 0.425 25943 6263 1 15 . 1 1 71 71 TRP N N 71 118.400 118.400 122.215 -3.815 25943 6264 1 15 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.429 -0.292 25943 6265 1 15 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.513 0.749 25943 6266 1 15 . 1 1 71 71 TRP CB C 71 29.242 29.242 30.007 -0.765 25943 6267 1 15 . 1 1 71 71 TRP H H 71 7.806 7.806 7.702 0.104 25943 6268 1 15 . 1 1 72 72 ILE N N 72 119.430 119.430 119.524 -0.094 25943 6269 1 15 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.602 -0.480 25943 6270 1 15 . 1 1 72 72 ILE CA C 72 65.863 65.863 65.160 0.703 25943 6271 1 15 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.965 -1.295 25943 6272 1 15 . 1 1 72 72 ILE H H 72 8.654 8.654 7.780 0.874 25943 6273 1 15 . 1 1 73 73 PHE N N 73 118.760 118.760 118.786 -0.026 25943 6274 1 15 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.166 0.348 25943 6275 1 15 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.891 -0.737 25943 6276 1 15 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.280 0.041 25943 6277 1 15 . 1 1 73 73 PHE H H 73 9.015 9.015 7.086 1.929 25943 6278 1 15 . 1 1 74 74 ALA N N 74 118.190 118.190 120.093 -1.903 25943 6279 1 15 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.912 -0.251 25943 6280 1 15 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.532 0.630 25943 6281 1 15 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.901 -0.750 25943 6282 1 15 . 1 1 74 74 ALA H H 74 7.363 7.363 7.736 -0.373 25943 6283 1 15 . 1 1 75 75 ALA N N 75 122.920 122.920 122.134 0.786 25943 6284 1 15 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.981 -0.246 25943 6285 1 15 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.107 0.519 25943 6286 1 15 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.312 -0.735 25943 6287 1 15 . 1 1 75 75 ALA H H 75 7.640 7.640 7.076 0.564 25943 6288 1 15 . 1 1 76 76 ILE N N 76 108.850 108.850 114.250 -5.400 25943 6289 1 15 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.191 0.305 25943 6290 1 15 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.859 -0.181 25943 6291 1 15 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.973 0.419 25943 6292 1 15 . 1 1 76 76 ILE H H 76 7.901 7.901 7.648 0.253 25943 6293 1 15 . 1 1 77 77 ASN N N 77 116.232 116.232 118.923 -2.691 25943 6294 1 15 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.295 -0.037 25943 6295 1 15 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.242 0.828 25943 6296 1 15 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.117 -0.199 25943 6297 1 15 . 1 1 77 77 ASN H H 77 7.865 7.865 7.846 0.019 25943 6298 1 15 . 1 1 78 78 ARG N N 78 118.810 118.810 118.583 0.227 25943 6299 1 15 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.611 0.357 25943 6300 1 15 . 1 1 78 78 ARG CA C 78 50.923 50.923 54.280 -3.357 25943 6301 1 15 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.720 -4.103 25943 6302 1 15 . 1 1 78 78 ARG H H 78 8.325 8.325 7.649 0.676 25943 6303 1 15 . 1 1 79 79 ARG N N 79 122.270 122.270 119.475 2.795 25943 6304 1 15 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.922 -0.011 25943 6305 1 15 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.349 -0.155 25943 6306 1 15 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.506 0.052 25943 6307 1 15 . 1 1 79 79 ARG H H 79 8.171 8.171 8.660 -0.489 25943 6308 1 15 . 1 1 80 80 ASP N N 80 117.180 117.180 118.563 -1.383 25943 6309 1 15 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.420 -0.561 25943 6310 1 15 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.417 -0.252 25943 6311 1 15 . 1 1 80 80 ASP CB C 80 38.372 38.372 39.534 -1.162 25943 6312 1 15 . 1 1 80 80 ASP H H 80 9.124 9.124 8.251 0.873 25943 6313 1 15 . 1 1 81 81 LEU N N 81 120.540 120.540 120.124 0.416 25943 6314 1 15 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.062 -0.223 25943 6315 1 15 . 1 1 81 81 LEU CA C 81 56.763 56.763 56.915 -0.152 25943 6316 1 15 . 1 1 81 81 LEU CB C 81 40.289 40.289 42.012 -1.723 25943 6317 1 15 . 1 1 81 81 LEU H H 81 7.267 7.267 8.274 -1.007 25943 6318 1 15 . 1 1 82 82 TYR N N 82 119.140 119.140 120.523 -1.383 25943 6319 1 15 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.198 -0.039 25943 6320 1 15 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.794 0.445 25943 6321 1 15 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.564 0.127 25943 6322 1 15 . 1 1 82 82 TYR H H 82 8.041 8.041 8.259 -0.218 25943 6323 1 15 . 1 1 83 83 GLU N N 83 115.620 115.620 119.008 -3.388 25943 6324 1 15 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.954 -0.258 25943 6325 1 15 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.347 -0.267 25943 6326 1 15 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.599 -0.462 25943 6327 1 15 . 1 1 83 83 GLU H H 83 8.194 8.194 7.955 0.239 25943 6328 1 15 . 1 1 84 84 LYS N N 84 118.080 118.080 119.846 -1.766 25943 6329 1 15 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.132 -0.215 25943 6330 1 15 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.684 1.079 25943 6331 1 15 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.280 1.094 25943 6332 1 15 . 1 1 84 84 LYS H H 84 7.446 7.446 7.596 -0.150 25943 6333 1 15 . 1 1 85 85 ALA N N 85 120.470 120.470 121.524 -1.054 25943 6334 1 15 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.191 -0.068 25943 6335 1 15 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.423 -0.313 25943 6336 1 15 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.431 -0.049 25943 6337 1 15 . 1 1 85 85 ALA H H 85 8.651 8.651 8.302 0.349 25943 6338 1 15 . 1 1 86 86 LYS N N 86 117.610 117.610 117.317 0.293 25943 6339 1 15 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.944 0.066 25943 6340 1 15 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.334 0.834 25943 6341 1 15 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.281 -0.490 25943 6342 1 15 . 1 1 86 86 LYS H H 86 8.059 8.059 7.484 0.575 25943 6343 1 15 . 1 1 87 87 ARG N N 87 116.900 116.900 117.612 -0.712 25943 6344 1 15 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.198 -0.033 25943 6345 1 15 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.081 -0.381 25943 6346 1 15 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.783 -0.467 25943 6347 1 15 . 1 1 87 87 ARG H H 87 7.196 7.196 7.416 -0.220 25943 6348 1 15 . 1 1 88 88 ASP N N 88 119.290 119.290 118.467 0.823 25943 6349 1 15 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.690 0.004 25943 6350 1 15 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.292 -0.623 25943 6351 1 15 . 1 1 88 88 ASP CB C 88 42.419 42.419 42.520 -0.101 25943 6352 1 15 . 1 1 88 88 ASP H H 88 7.507 7.507 8.366 -0.859 25943 6353 1 15 . 1 1 89 89 GLU N N 89 119.970 119.970 121.661 -1.691 25943 6354 1 15 . 1 1 89 89 GLU HA H 89 3.404 3.404 3.835 -0.431 25943 6355 1 15 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.044 0.391 25943 6356 1 15 . 1 1 89 89 GLU CB C 89 28.221 28.221 28.752 -0.531 25943 6357 1 15 . 1 1 89 89 GLU H H 89 7.337 7.337 7.424 -0.087 25943 6358 1 15 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.238 -0.032 25943 6359 1 15 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.807 0.449 25943 6360 1 15 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.035 -0.242 25943 6361 1 16 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.577 -0.421 25943 6362 1 16 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.062 -0.359 25943 6363 1 16 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.960 -0.319 25943 6364 1 16 . 1 1 3 3 SER N N 3 115.850 115.850 117.375 -1.525 25943 6365 1 16 . 1 1 3 3 SER HA H 3 4.696 4.696 4.559 0.137 25943 6366 1 16 . 1 1 3 3 SER CA C 3 57.756 57.756 57.439 0.317 25943 6367 1 16 . 1 1 3 3 SER CB C 3 64.325 64.325 64.991 -0.666 25943 6368 1 16 . 1 1 3 3 SER H H 3 8.757 8.757 8.427 0.330 25943 6369 1 16 . 1 1 4 4 THR N N 4 118.590 118.590 121.866 -3.276 25943 6370 1 16 . 1 1 4 4 THR HA H 4 4.213 4.213 4.203 0.010 25943 6371 1 16 . 1 1 4 4 THR CA C 4 64.714 64.714 65.070 -0.356 25943 6372 1 16 . 1 1 4 4 THR CB C 4 68.864 68.864 69.075 -0.211 25943 6373 1 16 . 1 1 4 4 THR H H 4 8.854 8.854 8.728 0.126 25943 6374 1 16 . 1 1 5 5 ARG N N 5 122.240 122.240 121.714 0.526 25943 6375 1 16 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.005 -0.036 25943 6376 1 16 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.430 -0.171 25943 6377 1 16 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.795 0.476 25943 6378 1 16 . 1 1 5 5 ARG H H 5 8.535 8.535 7.951 0.584 25943 6379 1 16 . 1 1 6 6 CYS N N 6 118.400 118.400 115.562 2.838 25943 6380 1 16 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.223 0.024 25943 6381 1 16 . 1 1 6 6 CYS CA C 6 61.224 61.224 61.150 0.074 25943 6382 1 16 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.503 0.700 25943 6383 1 16 . 1 1 6 6 CYS H H 6 8.174 8.174 8.104 0.070 25943 6384 1 16 . 1 1 7 7 LYS N N 7 123.084 123.084 120.636 2.448 25943 6385 1 16 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.151 -0.083 25943 6386 1 16 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.228 0.456 25943 6387 1 16 . 1 1 7 7 LYS CB C 7 32.837 32.837 31.977 0.860 25943 6388 1 16 . 1 1 7 7 LYS H H 7 8.395 8.395 7.614 0.781 25943 6389 1 16 . 1 1 8 8 LEU N N 8 120.110 120.110 119.765 0.345 25943 6390 1 16 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.118 -0.144 25943 6391 1 16 . 1 1 8 8 LEU CA C 8 58.238 58.238 58.108 0.130 25943 6392 1 16 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.115 0.339 25943 6393 1 16 . 1 1 8 8 LEU H H 8 8.546 8.546 7.918 0.628 25943 6394 1 16 . 1 1 9 9 ALA N N 9 118.910 118.910 120.282 -1.372 25943 6395 1 16 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.069 -0.193 25943 6396 1 16 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.914 0.722 25943 6397 1 16 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.407 0.169 25943 6398 1 16 . 1 1 9 9 ALA H H 9 8.076 8.076 7.796 0.280 25943 6399 1 16 . 1 1 10 10 ARG N N 10 116.760 116.760 118.459 -1.699 25943 6400 1 16 . 1 1 10 10 ARG HA H 10 3.952 3.952 3.999 -0.047 25943 6401 1 16 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.010 -0.300 25943 6402 1 16 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.066 -0.341 25943 6403 1 16 . 1 1 10 10 ARG H H 10 7.556 7.556 7.731 -0.175 25943 6404 1 16 . 1 1 11 11 TYR N N 11 117.102 117.102 119.939 -2.837 25943 6405 1 16 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.473 -0.126 25943 6406 1 16 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.147 0.551 25943 6407 1 16 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.573 -0.265 25943 6408 1 16 . 1 1 11 11 TYR H H 11 7.510 7.510 7.820 -0.310 25943 6409 1 16 . 1 1 12 12 LEU N N 12 116.791 116.791 117.670 -0.879 25943 6410 1 16 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.856 0.041 25943 6411 1 16 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.538 0.038 25943 6412 1 16 . 1 1 12 12 LEU CB C 12 40.946 40.946 40.947 -0.001 25943 6413 1 16 . 1 1 12 12 LEU H H 12 7.893 7.893 8.141 -0.248 25943 6414 1 16 . 1 1 13 13 GLU N N 13 117.866 117.866 117.065 0.801 25943 6415 1 16 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.137 -0.889 25943 6416 1 16 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.094 -0.428 25943 6417 1 16 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.667 -1.414 25943 6418 1 16 . 1 1 13 13 GLU H H 13 7.975 7.975 7.512 0.463 25943 6419 1 16 . 1 1 14 14 ASP N N 14 116.190 116.190 117.055 -0.865 25943 6420 1 16 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.471 0.166 25943 6421 1 16 . 1 1 14 14 ASP CA C 14 54.135 54.135 55.004 -0.869 25943 6422 1 16 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.714 -2.060 25943 6423 1 16 . 1 1 14 14 ASP H H 14 7.293 7.293 7.737 -0.444 25943 6424 1 16 . 1 1 15 15 LEU N N 15 119.530 119.530 119.616 -0.086 25943 6425 1 16 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.519 -0.210 25943 6426 1 16 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.563 1.126 25943 6427 1 16 . 1 1 15 15 LEU CB C 15 41.930 41.930 43.300 -1.370 25943 6428 1 16 . 1 1 15 15 LEU H H 15 7.301 7.301 7.181 0.120 25943 6429 1 16 . 1 1 16 16 GLU N N 16 121.840 121.840 120.733 1.107 25943 6430 1 16 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.121 0.395 25943 6431 1 16 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.415 -0.609 25943 6432 1 16 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.097 -1.865 25943 6433 1 16 . 1 1 16 16 GLU H H 16 8.837 8.837 8.429 0.408 25943 6434 1 16 . 1 1 17 17 ASP N N 17 122.070 122.070 122.812 -0.742 25943 6435 1 16 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.351 -0.002 25943 6436 1 16 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.757 1.011 25943 6437 1 16 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.413 -0.055 25943 6438 1 16 . 1 1 17 17 ASP H H 17 8.951 8.951 8.845 0.106 25943 6439 1 16 . 1 1 18 18 VAL N N 18 118.150 118.150 119.271 -1.121 25943 6440 1 16 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.790 0.069 25943 6441 1 16 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.662 0.324 25943 6442 1 16 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.661 -0.118 25943 6443 1 16 . 1 1 18 18 VAL H H 18 8.613 8.613 7.883 0.730 25943 6444 1 16 . 1 1 19 19 ASP N N 19 120.600 120.600 119.029 1.571 25943 6445 1 16 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.478 0.228 25943 6446 1 16 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.109 -0.289 25943 6447 1 16 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.655 1.203 25943 6448 1 16 . 1 1 19 19 ASP H H 19 7.358 7.358 8.355 -0.997 25943 6449 1 16 . 1 1 20 20 LEU N N 20 123.020 123.020 121.630 1.390 25943 6450 1 16 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.100 0.047 25943 6451 1 16 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.773 0.342 25943 6452 1 16 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.976 -1.057 25943 6453 1 16 . 1 1 20 20 LEU H H 20 8.635 8.635 7.905 0.730 25943 6454 1 16 . 1 1 21 21 LYS N N 21 119.120 119.120 118.657 0.463 25943 6455 1 16 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.962 0.070 25943 6456 1 16 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.542 0.798 25943 6457 1 16 . 1 1 21 21 LYS CB C 21 32.291 32.291 31.855 0.436 25943 6458 1 16 . 1 1 21 21 LYS H H 21 7.914 7.914 7.684 0.230 25943 6459 1 16 . 1 1 22 22 LYS N N 22 118.660 118.660 118.514 0.146 25943 6460 1 16 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.063 0.117 25943 6461 1 16 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.505 0.674 25943 6462 1 16 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.277 1.338 25943 6463 1 16 . 1 1 22 22 LYS H H 22 7.715 7.715 7.565 0.150 25943 6464 1 16 . 1 1 23 23 PHE N N 23 123.360 123.360 120.460 2.900 25943 6465 1 16 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.332 -0.361 25943 6466 1 16 . 1 1 23 23 PHE CA C 23 61.390 61.390 62.074 -0.684 25943 6467 1 16 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.097 1.356 25943 6468 1 16 . 1 1 23 23 PHE H H 23 9.148 9.148 7.685 1.463 25943 6469 1 16 . 1 1 24 24 LYS N N 24 117.660 117.660 119.439 -1.779 25943 6470 1 16 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.107 -0.332 25943 6471 1 16 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.013 2.202 25943 6472 1 16 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.158 1.149 25943 6473 1 16 . 1 1 24 24 LYS H H 24 8.750 8.750 7.721 1.029 25943 6474 1 16 . 1 1 25 25 MET N N 25 118.140 118.140 119.758 -1.618 25943 6475 1 16 . 1 1 25 25 MET HA H 25 3.955 3.955 4.083 -0.128 25943 6476 1 16 . 1 1 25 25 MET CA C 25 59.261 59.261 59.023 0.238 25943 6477 1 16 . 1 1 25 25 MET CB C 25 32.276 32.276 32.658 -0.382 25943 6478 1 16 . 1 1 25 25 MET H H 25 8.005 8.005 8.446 -0.441 25943 6479 1 16 . 1 1 26 26 HIS N N 26 114.610 114.610 118.962 -4.352 25943 6480 1 16 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.612 -0.291 25943 6481 1 16 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.174 0.034 25943 6482 1 16 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.729 -0.157 25943 6483 1 16 . 1 1 26 26 HIS H H 26 7.779 7.779 7.997 -0.218 25943 6484 1 16 . 1 1 27 27 LEU N N 27 119.460 119.460 117.779 1.681 25943 6485 1 16 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.191 -0.190 25943 6486 1 16 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.057 0.689 25943 6487 1 16 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.645 1.261 25943 6488 1 16 . 1 1 27 27 LEU H H 27 7.954 7.954 7.343 0.611 25943 6489 1 16 . 1 1 28 28 GLU N N 28 116.810 116.810 120.382 -3.572 25943 6490 1 16 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.143 0.160 25943 6491 1 16 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.965 -1.725 25943 6492 1 16 . 1 1 28 28 GLU CB C 28 28.501 28.501 30.082 -1.581 25943 6493 1 16 . 1 1 28 28 GLU H H 28 7.870 7.870 8.353 -0.483 25943 6494 1 16 . 1 1 29 29 ASP N N 29 116.732 116.732 117.103 -0.371 25943 6495 1 16 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.732 0.136 25943 6496 1 16 . 1 1 29 29 ASP CA C 29 52.127 52.127 52.762 -0.635 25943 6497 1 16 . 1 1 29 29 ASP CB C 29 38.930 38.930 39.850 -0.920 25943 6498 1 16 . 1 1 29 29 ASP H H 29 7.548 7.548 7.906 -0.358 25943 6499 1 16 . 1 1 30 30 TYR N N 30 125.460 125.460 122.855 2.605 25943 6500 1 16 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.384 -0.050 25943 6501 1 16 . 1 1 30 30 TYR CA C 30 58.750 58.750 57.716 1.034 25943 6502 1 16 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.950 0.098 25943 6503 1 16 . 1 1 30 30 TYR H H 30 6.837 6.837 7.481 -0.644 25943 6504 1 16 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.634 -0.101 25943 6505 1 16 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.752 0.570 25943 6506 1 16 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.341 -1.012 25943 6507 1 16 . 1 1 33 33 GLN N N 33 120.060 120.060 122.848 -2.788 25943 6508 1 16 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.322 -0.035 25943 6509 1 16 . 1 1 33 33 GLN CA C 33 56.012 56.012 55.148 0.864 25943 6510 1 16 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.171 0.559 25943 6511 1 16 . 1 1 33 33 GLN H H 33 8.453 8.453 8.600 -0.147 25943 6512 1 16 . 1 1 34 34 LYS N N 34 121.020 121.020 118.444 2.576 25943 6513 1 16 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.055 0.072 25943 6514 1 16 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.791 0.457 25943 6515 1 16 . 1 1 34 34 LYS CB C 34 31.837 31.837 31.157 0.680 25943 6516 1 16 . 1 1 34 34 LYS H H 34 8.376 8.376 8.228 0.148 25943 6517 1 16 . 1 1 35 35 GLY N N 35 110.370 110.370 107.953 2.417 25943 6518 1 16 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.280 0.719 25943 6519 1 16 . 1 1 35 35 GLY H H 35 8.630 8.630 8.563 0.067 25943 6520 1 16 . 1 1 36 36 CYS N N 36 117.850 117.850 122.030 -4.180 25943 6521 1 16 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.532 0.152 25943 6522 1 16 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.286 -0.794 25943 6523 1 16 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.569 1.350 25943 6524 1 16 . 1 1 36 36 CYS H H 36 7.855 7.855 7.991 -0.136 25943 6525 1 16 . 1 1 37 37 ILE N N 37 125.540 125.540 127.864 -2.324 25943 6526 1 16 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.358 0.246 25943 6527 1 16 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.529 -1.286 25943 6528 1 16 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.381 0.947 25943 6529 1 16 . 1 1 37 37 ILE H H 37 9.362 9.362 8.489 0.873 25943 6530 1 16 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.403 -0.053 25943 6531 1 16 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.639 -0.394 25943 6532 1 16 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.071 0.389 25943 6533 1 16 . 1 1 39 39 LEU N N 39 120.950 120.950 125.845 -4.895 25943 6534 1 16 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.328 -0.438 25943 6535 1 16 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.773 -0.420 25943 6536 1 16 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.892 0.486 25943 6537 1 16 . 1 1 39 39 LEU H H 39 7.503 7.503 8.241 -0.738 25943 6538 1 16 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.425 -0.075 25943 6539 1 16 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.399 -0.098 25943 6540 1 16 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.688 -0.440 25943 6541 1 16 . 1 1 41 41 ARG N N 41 127.030 127.030 123.354 3.676 25943 6542 1 16 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.981 -0.153 25943 6543 1 16 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.772 0.932 25943 6544 1 16 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.087 0.194 25943 6545 1 16 . 1 1 41 41 ARG H H 41 8.997 8.997 8.654 0.343 25943 6546 1 16 . 1 1 42 42 GLY N N 42 106.770 106.770 104.970 1.800 25943 6547 1 16 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.852 0.652 25943 6548 1 16 . 1 1 42 42 GLY H H 42 8.820 8.820 8.748 0.072 25943 6549 1 16 . 1 1 43 43 GLN N N 43 118.070 118.070 119.264 -1.194 25943 6550 1 16 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.215 -0.201 25943 6551 1 16 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.334 0.363 25943 6552 1 16 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.291 1.529 25943 6553 1 16 . 1 1 43 43 GLN H H 43 7.724 7.724 7.620 0.104 25943 6554 1 16 . 1 1 44 44 THR N N 44 115.670 115.670 113.156 2.514 25943 6555 1 16 . 1 1 44 44 THR HA H 44 4.220 4.220 4.103 0.117 25943 6556 1 16 . 1 1 44 44 THR CA C 44 67.781 67.781 65.780 2.001 25943 6557 1 16 . 1 1 44 44 THR CB C 44 67.781 67.781 68.560 -0.779 25943 6558 1 16 . 1 1 44 44 THR H H 44 7.641 7.641 7.727 -0.086 25943 6559 1 16 . 1 1 45 45 GLU N N 45 119.340 119.340 120.405 -1.065 25943 6560 1 16 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.135 -0.385 25943 6561 1 16 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.709 1.120 25943 6562 1 16 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.312 0.013 25943 6563 1 16 . 1 1 45 45 GLU H H 45 8.412 8.412 7.935 0.477 25943 6564 1 16 . 1 1 46 46 LYS N N 46 115.700 115.700 115.985 -0.285 25943 6565 1 16 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.314 -0.142 25943 6566 1 16 . 1 1 46 46 LYS CA C 46 56.837 56.837 55.393 1.444 25943 6567 1 16 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.387 0.894 25943 6568 1 16 . 1 1 46 46 LYS H H 46 7.289 7.289 7.501 -0.212 25943 6569 1 16 . 1 1 47 47 ALA N N 47 121.880 121.880 123.164 -1.284 25943 6570 1 16 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.164 0.123 25943 6571 1 16 . 1 1 47 47 ALA CA C 47 53.101 53.101 51.985 1.116 25943 6572 1 16 . 1 1 47 47 ALA CB C 47 19.676 19.676 18.771 0.905 25943 6573 1 16 . 1 1 47 47 ALA H H 47 7.072 7.072 7.320 -0.248 25943 6574 1 16 . 1 1 48 48 ASP N N 48 121.440 121.440 126.247 -4.807 25943 6575 1 16 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.737 -0.074 25943 6576 1 16 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.133 -1.087 25943 6577 1 16 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.120 -2.417 25943 6578 1 16 . 1 1 48 48 ASP H H 48 8.654 8.654 8.085 0.569 25943 6579 1 16 . 1 1 49 49 HIS N N 49 112.540 112.540 119.678 -7.138 25943 6580 1 16 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.181 -0.209 25943 6581 1 16 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.608 0.668 25943 6582 1 16 . 1 1 49 49 HIS CB C 49 28.741 28.741 28.808 -0.067 25943 6583 1 16 . 1 1 49 49 HIS H H 49 8.316 8.316 9.212 -0.896 25943 6584 1 16 . 1 1 50 50 VAL N N 50 117.460 117.460 119.768 -2.308 25943 6585 1 16 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.543 0.134 25943 6586 1 16 . 1 1 50 50 VAL CA C 50 65.823 65.823 65.997 -0.174 25943 6587 1 16 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.128 0.675 25943 6588 1 16 . 1 1 50 50 VAL H H 50 7.610 7.610 7.167 0.443 25943 6589 1 16 . 1 1 51 51 ASP N N 51 121.430 121.430 120.317 1.113 25943 6590 1 16 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.263 0.172 25943 6591 1 16 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.564 -0.972 25943 6592 1 16 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.439 -1.024 25943 6593 1 16 . 1 1 51 51 ASP H H 51 8.490 8.490 7.989 0.501 25943 6594 1 16 . 1 1 52 52 LEU N N 52 121.030 121.030 120.715 0.315 25943 6595 1 16 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.915 0.052 25943 6596 1 16 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.073 -0.396 25943 6597 1 16 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.834 -0.126 25943 6598 1 16 . 1 1 52 52 LEU H H 52 8.649 8.649 8.664 -0.015 25943 6599 1 16 . 1 1 53 53 ALA N N 53 120.440 120.440 119.195 1.245 25943 6600 1 16 . 1 1 53 53 ALA HA H 53 3.935 3.935 3.932 0.003 25943 6601 1 16 . 1 1 53 53 ALA CA C 53 55.598 55.598 54.927 0.671 25943 6602 1 16 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.232 -0.138 25943 6603 1 16 . 1 1 53 53 ALA H H 53 7.423 7.423 7.570 -0.147 25943 6604 1 16 . 1 1 54 54 THR N N 54 113.210 113.210 116.604 -3.394 25943 6605 1 16 . 1 1 54 54 THR HA H 54 3.712 3.712 4.060 -0.348 25943 6606 1 16 . 1 1 54 54 THR CA C 54 66.864 66.864 66.764 0.099 25943 6607 1 16 . 1 1 54 54 THR CB C 54 68.868 68.868 68.895 -0.027 25943 6608 1 16 . 1 1 54 54 THR H H 54 7.683 7.683 7.545 0.138 25943 6609 1 16 . 1 1 55 55 LEU N N 55 122.800 122.800 122.585 0.215 25943 6610 1 16 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.075 0.099 25943 6611 1 16 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.113 0.290 25943 6612 1 16 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.696 1.342 25943 6613 1 16 . 1 1 55 55 LEU H H 55 8.314 8.314 8.415 -0.101 25943 6614 1 16 . 1 1 56 56 MET N N 56 115.790 115.790 118.585 -2.795 25943 6615 1 16 . 1 1 56 56 MET HA H 56 3.831 3.831 4.425 -0.594 25943 6616 1 16 . 1 1 56 56 MET CA C 56 60.849 60.849 57.705 3.144 25943 6617 1 16 . 1 1 56 56 MET CB C 56 34.668 34.668 32.221 2.447 25943 6618 1 16 . 1 1 56 56 MET H H 56 8.379 8.379 7.681 0.698 25943 6619 1 16 . 1 1 57 57 ILE N N 57 120.370 120.370 119.783 0.587 25943 6620 1 16 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.875 -0.438 25943 6621 1 16 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.500 0.350 25943 6622 1 16 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.950 0.402 25943 6623 1 16 . 1 1 57 57 ILE H H 57 8.007 8.007 7.644 0.363 25943 6624 1 16 . 1 1 58 58 ASP N N 58 122.569 122.569 119.728 2.841 25943 6625 1 16 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.423 -0.076 25943 6626 1 16 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.097 -0.435 25943 6627 1 16 . 1 1 58 58 ASP CB C 58 37.910 37.910 40.848 -2.938 25943 6628 1 16 . 1 1 58 58 ASP H H 58 9.271 9.271 8.220 1.051 25943 6629 1 16 . 1 1 59 59 PHE N N 59 114.340 114.340 118.702 -4.362 25943 6630 1 16 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.388 -0.164 25943 6631 1 16 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.245 1.131 25943 6632 1 16 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.958 0.572 25943 6633 1 16 . 1 1 59 59 PHE H H 59 8.025 8.025 8.113 -0.088 25943 6634 1 16 . 1 1 60 60 ASN N N 60 112.830 112.830 114.846 -2.016 25943 6635 1 16 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.789 -0.657 25943 6636 1 16 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.848 0.766 25943 6637 1 16 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.233 2.727 25943 6638 1 16 . 1 1 60 60 ASN H H 60 7.601 7.601 7.770 -0.169 25943 6639 1 16 . 1 1 61 61 GLY N N 61 110.840 110.840 107.034 3.806 25943 6640 1 16 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.583 0.159 25943 6641 1 16 . 1 1 61 61 GLY H H 61 8.626 8.626 7.381 1.245 25943 6642 1 16 . 1 1 62 62 GLU N N 62 117.990 117.990 121.937 -3.947 25943 6643 1 16 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.936 -0.004 25943 6644 1 16 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.532 2.207 25943 6645 1 16 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.827 0.421 25943 6646 1 16 . 1 1 62 62 GLU H H 62 8.841 8.841 8.837 0.004 25943 6647 1 16 . 1 1 63 63 GLU N N 63 118.090 118.090 119.576 -1.486 25943 6648 1 16 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.247 -0.219 25943 6649 1 16 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.249 1.503 25943 6650 1 16 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.066 0.258 25943 6651 1 16 . 1 1 63 63 GLU H H 63 8.535 8.535 8.755 -0.220 25943 6652 1 16 . 1 1 64 64 LYS N N 64 119.720 119.720 120.587 -0.867 25943 6653 1 16 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.176 -0.094 25943 6654 1 16 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.187 0.997 25943 6655 1 16 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.131 -0.373 25943 6656 1 16 . 1 1 64 64 LYS H H 64 9.107 9.107 8.133 0.974 25943 6657 1 16 . 1 1 65 65 ALA N N 65 120.030 120.030 122.145 -2.115 25943 6658 1 16 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.047 -0.129 25943 6659 1 16 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.064 0.870 25943 6660 1 16 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.083 1.506 25943 6661 1 16 . 1 1 65 65 ALA H H 65 8.179 8.179 7.889 0.290 25943 6662 1 16 . 1 1 66 66 TRP N N 66 116.210 116.210 118.914 -2.704 25943 6663 1 16 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.171 -0.197 25943 6664 1 16 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.850 0.452 25943 6665 1 16 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.314 -0.359 25943 6666 1 16 . 1 1 66 66 TRP H H 66 7.900 7.900 7.579 0.321 25943 6667 1 16 . 1 1 67 67 ALA N N 67 119.640 119.640 121.866 -2.226 25943 6668 1 16 . 1 1 67 67 ALA HA H 67 4.031 4.031 3.955 0.076 25943 6669 1 16 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.112 0.500 25943 6670 1 16 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.145 -0.039 25943 6671 1 16 . 1 1 67 67 ALA H H 67 7.754 7.754 7.671 0.083 25943 6672 1 16 . 1 1 68 68 MET N N 68 118.260 118.260 117.101 1.159 25943 6673 1 16 . 1 1 68 68 MET HA H 68 4.262 4.262 4.190 0.072 25943 6674 1 16 . 1 1 68 68 MET CA C 68 58.647 58.647 58.758 -0.111 25943 6675 1 16 . 1 1 68 68 MET CB C 68 34.369 34.369 32.765 1.604 25943 6676 1 16 . 1 1 68 68 MET H H 68 8.500 8.500 8.148 0.352 25943 6677 1 16 . 1 1 69 69 ALA N N 69 120.358 120.358 122.923 -2.565 25943 6678 1 16 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.004 -0.431 25943 6679 1 16 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.091 0.538 25943 6680 1 16 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.224 -0.511 25943 6681 1 16 . 1 1 69 69 ALA H H 69 7.922 7.922 8.165 -0.243 25943 6682 1 16 . 1 1 70 70 VAL N N 70 114.916 114.916 117.618 -2.702 25943 6683 1 16 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.417 -0.014 25943 6684 1 16 . 1 1 70 70 VAL CA C 70 67.934 67.934 66.126 1.808 25943 6685 1 16 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.474 0.814 25943 6686 1 16 . 1 1 70 70 VAL H H 70 8.202 8.202 8.213 -0.011 25943 6687 1 16 . 1 1 71 71 TRP N N 71 118.400 118.400 121.250 -2.850 25943 6688 1 16 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.197 -0.061 25943 6689 1 16 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.437 0.825 25943 6690 1 16 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.526 -0.284 25943 6691 1 16 . 1 1 71 71 TRP H H 71 7.806 7.806 7.678 0.128 25943 6692 1 16 . 1 1 72 72 ILE N N 72 119.430 119.430 119.270 0.160 25943 6693 1 16 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.390 -0.268 25943 6694 1 16 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.586 1.277 25943 6695 1 16 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.832 -1.162 25943 6696 1 16 . 1 1 72 72 ILE H H 72 8.654 8.654 7.387 1.267 25943 6697 1 16 . 1 1 73 73 PHE N N 73 118.760 118.760 118.655 0.105 25943 6698 1 16 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.109 0.405 25943 6699 1 16 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.667 -0.513 25943 6700 1 16 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.264 0.057 25943 6701 1 16 . 1 1 73 73 PHE H H 73 9.015 9.015 6.847 2.168 25943 6702 1 16 . 1 1 74 74 ALA N N 74 118.190 118.190 119.896 -1.706 25943 6703 1 16 . 1 1 74 74 ALA HA H 74 3.661 3.661 4.011 -0.350 25943 6704 1 16 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.465 0.697 25943 6705 1 16 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.672 -0.522 25943 6706 1 16 . 1 1 74 74 ALA H H 74 7.363 7.363 7.669 -0.306 25943 6707 1 16 . 1 1 75 75 ALA N N 75 122.920 122.920 121.993 0.927 25943 6708 1 16 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.884 -0.149 25943 6709 1 16 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.346 0.280 25943 6710 1 16 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.603 -1.026 25943 6711 1 16 . 1 1 75 75 ALA H H 75 7.640 7.640 7.219 0.421 25943 6712 1 16 . 1 1 76 76 ILE N N 76 108.850 108.850 112.129 -3.279 25943 6713 1 16 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.186 0.310 25943 6714 1 16 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.961 -0.283 25943 6715 1 16 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.919 0.473 25943 6716 1 16 . 1 1 76 76 ILE H H 76 7.901 7.901 7.467 0.434 25943 6717 1 16 . 1 1 77 77 ASN N N 77 116.232 116.232 118.392 -2.160 25943 6718 1 16 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.366 -0.108 25943 6719 1 16 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.594 0.476 25943 6720 1 16 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.126 -0.208 25943 6721 1 16 . 1 1 77 77 ASN H H 77 7.865 7.865 7.672 0.193 25943 6722 1 16 . 1 1 78 78 ARG N N 78 118.810 118.810 119.245 -0.435 25943 6723 1 16 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.647 0.321 25943 6724 1 16 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.404 -4.481 25943 6725 1 16 . 1 1 78 78 ARG CB C 78 26.617 26.617 31.424 -4.807 25943 6726 1 16 . 1 1 78 78 ARG H H 78 8.325 8.325 7.889 0.436 25943 6727 1 16 . 1 1 79 79 ARG N N 79 122.270 122.270 121.752 0.518 25943 6728 1 16 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.101 -0.190 25943 6729 1 16 . 1 1 79 79 ARG CA C 79 59.194 59.194 58.968 0.226 25943 6730 1 16 . 1 1 79 79 ARG CB C 79 29.558 29.558 28.974 0.584 25943 6731 1 16 . 1 1 79 79 ARG H H 79 8.171 8.171 8.708 -0.537 25943 6732 1 16 . 1 1 80 80 ASP N N 80 117.180 117.180 118.211 -1.031 25943 6733 1 16 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.561 -0.702 25943 6734 1 16 . 1 1 80 80 ASP CA C 80 56.165 56.165 56.908 -0.743 25943 6735 1 16 . 1 1 80 80 ASP CB C 80 38.372 38.372 39.930 -1.558 25943 6736 1 16 . 1 1 80 80 ASP H H 80 9.124 9.124 8.509 0.615 25943 6737 1 16 . 1 1 81 81 LEU N N 81 120.540 120.540 121.187 -0.647 25943 6738 1 16 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.005 -0.166 25943 6739 1 16 . 1 1 81 81 LEU CA C 81 56.763 56.763 56.971 -0.208 25943 6740 1 16 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.898 -1.609 25943 6741 1 16 . 1 1 81 81 LEU H H 81 7.267 7.267 7.679 -0.412 25943 6742 1 16 . 1 1 82 82 TYR N N 82 119.140 119.140 119.523 -0.383 25943 6743 1 16 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.187 -0.028 25943 6744 1 16 . 1 1 82 82 TYR CA C 82 62.239 62.239 60.462 1.777 25943 6745 1 16 . 1 1 82 82 TYR CB C 82 38.691 38.691 37.906 0.785 25943 6746 1 16 . 1 1 82 82 TYR H H 82 8.041 8.041 7.820 0.221 25943 6747 1 16 . 1 1 83 83 GLU N N 83 115.620 115.620 118.695 -3.075 25943 6748 1 16 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.556 0.140 25943 6749 1 16 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.189 -0.109 25943 6750 1 16 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.194 -0.057 25943 6751 1 16 . 1 1 83 83 GLU H H 83 8.194 8.194 7.810 0.384 25943 6752 1 16 . 1 1 84 84 LYS N N 84 118.080 118.080 118.339 -0.259 25943 6753 1 16 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.170 -0.253 25943 6754 1 16 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.174 1.590 25943 6755 1 16 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.117 1.257 25943 6756 1 16 . 1 1 84 84 LYS H H 84 7.446 7.446 7.307 0.139 25943 6757 1 16 . 1 1 85 85 ALA N N 85 120.470 120.470 122.760 -2.290 25943 6758 1 16 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.161 -0.038 25943 6759 1 16 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.750 0.360 25943 6760 1 16 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.287 0.095 25943 6761 1 16 . 1 1 85 85 ALA H H 85 8.651 8.651 8.565 0.086 25943 6762 1 16 . 1 1 86 86 LYS N N 86 117.610 117.610 116.782 0.828 25943 6763 1 16 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.004 0.006 25943 6764 1 16 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.633 0.536 25943 6765 1 16 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.298 -0.507 25943 6766 1 16 . 1 1 86 86 LYS H H 86 8.059 8.059 7.892 0.167 25943 6767 1 16 . 1 1 87 87 ARG N N 87 116.900 116.900 116.585 0.315 25943 6768 1 16 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.086 0.079 25943 6769 1 16 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.442 -0.742 25943 6770 1 16 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.417 -0.101 25943 6771 1 16 . 1 1 87 87 ARG H H 87 7.196 7.196 7.798 -0.602 25943 6772 1 16 . 1 1 88 88 ASP N N 88 119.290 119.290 116.833 2.457 25943 6773 1 16 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.589 0.105 25943 6774 1 16 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.281 -0.612 25943 6775 1 16 . 1 1 88 88 ASP CB C 88 42.419 42.419 40.034 2.385 25943 6776 1 16 . 1 1 88 88 ASP H H 88 7.507 7.507 7.635 -0.128 25943 6777 1 16 . 1 1 89 89 GLU N N 89 119.970 119.970 121.720 -1.750 25943 6778 1 16 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.304 -0.900 25943 6779 1 16 . 1 1 89 89 GLU CA C 89 54.435 54.435 55.152 -0.717 25943 6780 1 16 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.035 -0.813 25943 6781 1 16 . 1 1 89 89 GLU H H 89 7.337 7.337 7.499 -0.162 25943 6782 1 16 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.349 -0.143 25943 6783 1 16 . 1 1 90 90 PRO CA C 90 63.256 63.256 63.137 0.119 25943 6784 1 16 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.227 -0.434 25943 6785 1 17 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.474 -0.318 25943 6786 1 17 . 1 1 2 2 ALA CA C 2 51.703 51.703 51.757 -0.054 25943 6787 1 17 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.385 0.256 25943 6788 1 17 . 1 1 3 3 SER N N 3 115.850 115.850 116.454 -0.604 25943 6789 1 17 . 1 1 3 3 SER HA H 3 4.696 4.696 4.472 0.224 25943 6790 1 17 . 1 1 3 3 SER CA C 3 57.756 57.756 58.557 -0.801 25943 6791 1 17 . 1 1 3 3 SER CB C 3 64.325 64.325 64.377 -0.052 25943 6792 1 17 . 1 1 3 3 SER H H 3 8.757 8.757 8.300 0.457 25943 6793 1 17 . 1 1 4 4 THR N N 4 118.590 118.590 121.905 -3.315 25943 6794 1 17 . 1 1 4 4 THR HA H 4 4.213 4.213 4.200 0.013 25943 6795 1 17 . 1 1 4 4 THR CA C 4 64.714 64.714 66.173 -1.459 25943 6796 1 17 . 1 1 4 4 THR CB C 4 68.864 68.864 69.198 -0.335 25943 6797 1 17 . 1 1 4 4 THR H H 4 8.854 8.854 8.765 0.089 25943 6798 1 17 . 1 1 5 5 ARG N N 5 122.240 122.240 121.047 1.193 25943 6799 1 17 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.103 -0.134 25943 6800 1 17 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.121 -0.862 25943 6801 1 17 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.493 0.778 25943 6802 1 17 . 1 1 5 5 ARG H H 5 8.535 8.535 8.714 -0.179 25943 6803 1 17 . 1 1 6 6 CYS N N 6 118.400 118.400 116.228 2.172 25943 6804 1 17 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.283 -0.036 25943 6805 1 17 . 1 1 6 6 CYS CA C 6 61.224 61.224 61.658 -0.434 25943 6806 1 17 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.872 0.331 25943 6807 1 17 . 1 1 6 6 CYS H H 6 8.174 8.174 7.985 0.189 25943 6808 1 17 . 1 1 7 7 LYS N N 7 123.084 123.084 120.290 2.794 25943 6809 1 17 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.133 -0.065 25943 6810 1 17 . 1 1 7 7 LYS CA C 7 59.684 59.684 58.945 0.739 25943 6811 1 17 . 1 1 7 7 LYS CB C 7 32.837 32.837 31.977 0.860 25943 6812 1 17 . 1 1 7 7 LYS H H 7 8.395 8.395 7.655 0.740 25943 6813 1 17 . 1 1 8 8 LEU N N 8 120.110 120.110 119.514 0.596 25943 6814 1 17 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.178 -0.204 25943 6815 1 17 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.919 0.319 25943 6816 1 17 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.494 -0.040 25943 6817 1 17 . 1 1 8 8 LEU H H 8 8.546 8.546 8.212 0.334 25943 6818 1 17 . 1 1 9 9 ALA N N 9 118.910 118.910 121.245 -2.335 25943 6819 1 17 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.019 -0.143 25943 6820 1 17 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.986 0.650 25943 6821 1 17 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.282 0.293 25943 6822 1 17 . 1 1 9 9 ALA H H 9 8.076 8.076 8.327 -0.251 25943 6823 1 17 . 1 1 10 10 ARG N N 10 116.760 116.760 118.306 -1.546 25943 6824 1 17 . 1 1 10 10 ARG HA H 10 3.952 3.952 3.915 0.037 25943 6825 1 17 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.486 -0.776 25943 6826 1 17 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.076 -0.352 25943 6827 1 17 . 1 1 10 10 ARG H H 10 7.556 7.556 7.655 -0.099 25943 6828 1 17 . 1 1 11 11 TYR N N 11 117.102 117.102 118.423 -1.321 25943 6829 1 17 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.174 0.173 25943 6830 1 17 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.463 0.235 25943 6831 1 17 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.572 -0.265 25943 6832 1 17 . 1 1 11 11 TYR H H 11 7.510 7.510 7.316 0.194 25943 6833 1 17 . 1 1 12 12 LEU N N 12 116.791 116.791 117.567 -0.776 25943 6834 1 17 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.853 0.044 25943 6835 1 17 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.185 0.391 25943 6836 1 17 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.389 -0.443 25943 6837 1 17 . 1 1 12 12 LEU H H 12 7.893 7.893 7.665 0.228 25943 6838 1 17 . 1 1 13 13 GLU N N 13 117.866 117.866 117.699 0.167 25943 6839 1 17 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.045 -0.797 25943 6840 1 17 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.716 -0.050 25943 6841 1 17 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.585 -1.332 25943 6842 1 17 . 1 1 13 13 GLU H H 13 7.975 7.975 8.209 -0.234 25943 6843 1 17 . 1 1 14 14 ASP N N 14 116.190 116.190 118.185 -1.995 25943 6844 1 17 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.567 0.070 25943 6845 1 17 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.626 -0.491 25943 6846 1 17 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.848 -2.194 25943 6847 1 17 . 1 1 14 14 ASP H H 14 7.293 7.293 7.627 -0.334 25943 6848 1 17 . 1 1 15 15 LEU N N 15 119.530 119.530 119.069 0.461 25943 6849 1 17 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.313 -0.004 25943 6850 1 17 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.040 0.649 25943 6851 1 17 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.759 -0.829 25943 6852 1 17 . 1 1 15 15 LEU H H 15 7.301 7.301 7.182 0.119 25943 6853 1 17 . 1 1 16 16 GLU N N 16 121.840 121.840 120.116 1.724 25943 6854 1 17 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.154 0.362 25943 6855 1 17 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.243 -0.438 25943 6856 1 17 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.007 -1.775 25943 6857 1 17 . 1 1 16 16 GLU H H 16 8.837 8.837 8.376 0.461 25943 6858 1 17 . 1 1 17 17 ASP N N 17 122.070 122.070 125.482 -3.412 25943 6859 1 17 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.317 0.032 25943 6860 1 17 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.528 1.240 25943 6861 1 17 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.471 -0.113 25943 6862 1 17 . 1 1 17 17 ASP H H 17 8.951 8.951 8.797 0.154 25943 6863 1 17 . 1 1 18 18 VAL N N 18 118.150 118.150 118.912 -0.762 25943 6864 1 17 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.793 0.066 25943 6865 1 17 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.597 0.389 25943 6866 1 17 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.638 -0.095 25943 6867 1 17 . 1 1 18 18 VAL H H 18 8.613 8.613 8.122 0.491 25943 6868 1 17 . 1 1 19 19 ASP N N 19 120.600 120.600 119.736 0.864 25943 6869 1 17 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.478 0.228 25943 6870 1 17 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.100 -0.280 25943 6871 1 17 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.314 1.544 25943 6872 1 17 . 1 1 19 19 ASP H H 19 7.358 7.358 7.899 -0.541 25943 6873 1 17 . 1 1 20 20 LEU N N 20 123.020 123.020 121.947 1.073 25943 6874 1 17 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.077 0.070 25943 6875 1 17 . 1 1 20 20 LEU CA C 20 58.115 58.115 58.327 -0.212 25943 6876 1 17 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.943 -1.024 25943 6877 1 17 . 1 1 20 20 LEU H H 20 8.635 8.635 8.276 0.359 25943 6878 1 17 . 1 1 21 21 LYS N N 21 119.120 119.120 118.317 0.803 25943 6879 1 17 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.049 -0.017 25943 6880 1 17 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.908 0.432 25943 6881 1 17 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.098 0.193 25943 6882 1 17 . 1 1 21 21 LYS H H 21 7.914 7.914 7.700 0.214 25943 6883 1 17 . 1 1 22 22 LYS N N 22 118.660 118.660 119.083 -0.423 25943 6884 1 17 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.205 -0.025 25943 6885 1 17 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.757 1.422 25943 6886 1 17 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.058 1.557 25943 6887 1 17 . 1 1 22 22 LYS H H 22 7.715 7.715 7.489 0.226 25943 6888 1 17 . 1 1 23 23 PHE N N 23 123.360 123.360 121.469 1.891 25943 6889 1 17 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.286 -0.315 25943 6890 1 17 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.786 -0.396 25943 6891 1 17 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.223 1.230 25943 6892 1 17 . 1 1 23 23 PHE H H 23 9.148 9.148 8.008 1.140 25943 6893 1 17 . 1 1 24 24 LYS N N 24 117.660 117.660 119.674 -2.014 25943 6894 1 17 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.119 -0.344 25943 6895 1 17 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.667 1.548 25943 6896 1 17 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.533 0.774 25943 6897 1 17 . 1 1 24 24 LYS H H 24 8.750 8.750 7.763 0.987 25943 6898 1 17 . 1 1 25 25 MET N N 25 118.140 118.140 119.400 -1.260 25943 6899 1 17 . 1 1 25 25 MET HA H 25 3.955 3.955 4.072 -0.117 25943 6900 1 17 . 1 1 25 25 MET CA C 25 59.261 59.261 59.078 0.183 25943 6901 1 17 . 1 1 25 25 MET CB C 25 32.276 32.276 32.676 -0.400 25943 6902 1 17 . 1 1 25 25 MET H H 25 8.005 8.005 8.231 -0.226 25943 6903 1 17 . 1 1 26 26 HIS N N 26 114.610 114.610 119.118 -4.508 25943 6904 1 17 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.615 -0.294 25943 6905 1 17 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.378 -0.170 25943 6906 1 17 . 1 1 26 26 HIS CB C 26 29.572 29.572 30.500 -0.928 25943 6907 1 17 . 1 1 26 26 HIS H H 26 7.779 7.779 7.791 -0.012 25943 6908 1 17 . 1 1 27 27 LEU N N 27 119.460 119.460 118.751 0.709 25943 6909 1 17 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.371 -0.370 25943 6910 1 17 . 1 1 27 27 LEU CA C 27 57.746 57.746 56.466 1.280 25943 6911 1 17 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.034 1.872 25943 6912 1 17 . 1 1 27 27 LEU H H 27 7.954 7.954 7.636 0.318 25943 6913 1 17 . 1 1 28 28 GLU N N 28 116.810 116.810 120.985 -4.175 25943 6914 1 17 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.212 0.091 25943 6915 1 17 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.587 -1.347 25943 6916 1 17 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.890 -1.389 25943 6917 1 17 . 1 1 28 28 GLU H H 28 7.870 7.870 8.716 -0.846 25943 6918 1 17 . 1 1 29 29 ASP N N 29 116.732 116.732 118.328 -1.596 25943 6919 1 17 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.657 0.211 25943 6920 1 17 . 1 1 29 29 ASP CA C 29 52.127 52.127 52.706 -0.579 25943 6921 1 17 . 1 1 29 29 ASP CB C 29 38.930 38.930 39.236 -0.306 25943 6922 1 17 . 1 1 29 29 ASP H H 29 7.548 7.548 7.696 -0.148 25943 6923 1 17 . 1 1 30 30 TYR N N 30 125.460 125.460 122.368 3.092 25943 6924 1 17 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.319 0.015 25943 6925 1 17 . 1 1 30 30 TYR CA C 30 58.750 58.750 57.685 1.065 25943 6926 1 17 . 1 1 30 30 TYR CB C 30 39.049 39.049 39.172 -0.123 25943 6927 1 17 . 1 1 30 30 TYR H H 30 6.837 6.837 7.464 -0.627 25943 6928 1 17 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.527 0.006 25943 6929 1 17 . 1 1 32 32 PRO CA C 32 63.322 63.322 63.026 0.296 25943 6930 1 17 . 1 1 32 32 PRO CB C 32 31.329 31.329 31.883 -0.554 25943 6931 1 17 . 1 1 33 33 GLN N N 33 120.060 120.060 121.702 -1.642 25943 6932 1 17 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.332 -0.045 25943 6933 1 17 . 1 1 33 33 GLN CA C 33 56.012 56.012 54.669 1.343 25943 6934 1 17 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.273 0.457 25943 6935 1 17 . 1 1 33 33 GLN H H 33 8.453 8.453 8.621 -0.168 25943 6936 1 17 . 1 1 34 34 LYS N N 34 121.020 121.020 118.571 2.449 25943 6937 1 17 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.029 0.098 25943 6938 1 17 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.721 0.527 25943 6939 1 17 . 1 1 34 34 LYS CB C 34 31.837 31.837 31.348 0.489 25943 6940 1 17 . 1 1 34 34 LYS H H 34 8.376 8.376 8.208 0.168 25943 6941 1 17 . 1 1 35 35 GLY N N 35 110.370 110.370 109.512 0.858 25943 6942 1 17 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.277 0.722 25943 6943 1 17 . 1 1 35 35 GLY H H 35 8.630 8.630 8.576 0.054 25943 6944 1 17 . 1 1 36 36 CYS N N 36 117.850 117.850 123.361 -5.511 25943 6945 1 17 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.681 0.003 25943 6946 1 17 . 1 1 36 36 CYS CA C 36 58.492 58.492 59.036 -0.544 25943 6947 1 17 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.350 1.569 25943 6948 1 17 . 1 1 36 36 CYS H H 36 7.855 7.855 8.122 -0.267 25943 6949 1 17 . 1 1 37 37 ILE N N 37 125.540 125.540 127.294 -1.754 25943 6950 1 17 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.210 0.394 25943 6951 1 17 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.663 -1.419 25943 6952 1 17 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.429 0.899 25943 6953 1 17 . 1 1 37 37 ILE H H 37 9.362 9.362 8.606 0.756 25943 6954 1 17 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.352 -0.002 25943 6955 1 17 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.727 -0.482 25943 6956 1 17 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.027 0.433 25943 6957 1 17 . 1 1 39 39 LEU N N 39 120.950 120.950 124.343 -3.393 25943 6958 1 17 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.288 -0.398 25943 6959 1 17 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.965 -0.612 25943 6960 1 17 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.564 0.814 25943 6961 1 17 . 1 1 39 39 LEU H H 39 7.503 7.503 8.214 -0.711 25943 6962 1 17 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.508 -0.158 25943 6963 1 17 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.483 -0.182 25943 6964 1 17 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.482 -0.234 25943 6965 1 17 . 1 1 41 41 ARG N N 41 127.030 127.030 123.902 3.128 25943 6966 1 17 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.365 -0.537 25943 6967 1 17 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.389 1.315 25943 6968 1 17 . 1 1 41 41 ARG CB C 41 30.281 30.281 29.753 0.528 25943 6969 1 17 . 1 1 41 41 ARG H H 41 8.997 8.997 8.642 0.355 25943 6970 1 17 . 1 1 42 42 GLY N N 42 106.770 106.770 108.297 -1.527 25943 6971 1 17 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.439 1.066 25943 6972 1 17 . 1 1 42 42 GLY H H 42 8.820 8.820 8.581 0.239 25943 6973 1 17 . 1 1 43 43 GLN N N 43 118.070 118.070 120.805 -2.735 25943 6974 1 17 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.083 -0.069 25943 6975 1 17 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.790 -0.093 25943 6976 1 17 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.807 1.013 25943 6977 1 17 . 1 1 43 43 GLN H H 43 7.724 7.724 7.595 0.129 25943 6978 1 17 . 1 1 44 44 THR N N 44 115.670 115.670 115.735 -0.065 25943 6979 1 17 . 1 1 44 44 THR HA H 44 4.220 4.220 3.987 0.233 25943 6980 1 17 . 1 1 44 44 THR CA C 44 67.781 67.781 66.647 1.134 25943 6981 1 17 . 1 1 44 44 THR CB C 44 67.781 67.781 68.768 -0.987 25943 6982 1 17 . 1 1 44 44 THR H H 44 7.641 7.641 7.863 -0.222 25943 6983 1 17 . 1 1 45 45 GLU N N 45 119.340 119.340 120.315 -0.975 25943 6984 1 17 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.037 -0.287 25943 6985 1 17 . 1 1 45 45 GLU CA C 45 59.829 59.829 59.111 0.718 25943 6986 1 17 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.233 0.092 25943 6987 1 17 . 1 1 45 45 GLU H H 45 8.412 8.412 8.279 0.133 25943 6988 1 17 . 1 1 46 46 LYS N N 46 115.700 115.700 118.924 -3.224 25943 6989 1 17 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.151 0.021 25943 6990 1 17 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.639 0.198 25943 6991 1 17 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.794 0.487 25943 6992 1 17 . 1 1 46 46 LYS H H 46 7.289 7.289 7.454 -0.165 25943 6993 1 17 . 1 1 47 47 ALA N N 47 121.880 121.880 123.267 -1.387 25943 6994 1 17 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.166 0.121 25943 6995 1 17 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.794 0.307 25943 6996 1 17 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.032 0.644 25943 6997 1 17 . 1 1 47 47 ALA H H 47 7.072 7.072 7.398 -0.326 25943 6998 1 17 . 1 1 48 48 ASP N N 48 121.440 121.440 124.462 -3.022 25943 6999 1 17 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.466 0.197 25943 7000 1 17 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.180 -1.134 25943 7001 1 17 . 1 1 48 48 ASP CB C 48 39.703 39.703 41.819 -2.116 25943 7002 1 17 . 1 1 48 48 ASP H H 48 8.654 8.654 8.211 0.443 25943 7003 1 17 . 1 1 49 49 HIS N N 49 112.540 112.540 118.756 -6.216 25943 7004 1 17 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.185 -0.213 25943 7005 1 17 . 1 1 49 49 HIS CA C 49 60.276 60.276 60.373 -0.097 25943 7006 1 17 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.705 -0.964 25943 7007 1 17 . 1 1 49 49 HIS H H 49 8.316 8.316 8.207 0.109 25943 7008 1 17 . 1 1 50 50 VAL N N 50 117.460 117.460 117.555 -0.095 25943 7009 1 17 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.784 -0.107 25943 7010 1 17 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.922 -1.099 25943 7011 1 17 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.693 0.110 25943 7012 1 17 . 1 1 50 50 VAL H H 50 7.610 7.610 8.098 -0.488 25943 7013 1 17 . 1 1 51 51 ASP N N 51 121.430 121.430 119.890 1.540 25943 7014 1 17 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.368 0.067 25943 7015 1 17 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.561 -0.969 25943 7016 1 17 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.274 -0.859 25943 7017 1 17 . 1 1 51 51 ASP H H 51 8.490 8.490 8.107 0.383 25943 7018 1 17 . 1 1 52 52 LEU N N 52 121.030 121.030 120.098 0.932 25943 7019 1 17 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.935 0.032 25943 7020 1 17 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.411 -0.734 25943 7021 1 17 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.807 -0.099 25943 7022 1 17 . 1 1 52 52 LEU H H 52 8.649 8.649 8.671 -0.022 25943 7023 1 17 . 1 1 53 53 ALA N N 53 120.440 120.440 119.783 0.657 25943 7024 1 17 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.070 -0.135 25943 7025 1 17 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.068 0.530 25943 7026 1 17 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.226 -0.132 25943 7027 1 17 . 1 1 53 53 ALA H H 53 7.423 7.423 7.676 -0.253 25943 7028 1 17 . 1 1 54 54 THR N N 54 113.210 113.210 116.455 -3.245 25943 7029 1 17 . 1 1 54 54 THR HA H 54 3.712 3.712 4.083 -0.371 25943 7030 1 17 . 1 1 54 54 THR CA C 54 66.864 66.864 67.133 -0.269 25943 7031 1 17 . 1 1 54 54 THR CB C 54 68.868 68.868 68.797 0.071 25943 7032 1 17 . 1 1 54 54 THR H H 54 7.683 7.683 7.603 0.080 25943 7033 1 17 . 1 1 55 55 LEU N N 55 122.800 122.800 122.024 0.776 25943 7034 1 17 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.115 0.059 25943 7035 1 17 . 1 1 55 55 LEU CA C 55 58.403 58.403 57.858 0.545 25943 7036 1 17 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.807 1.231 25943 7037 1 17 . 1 1 55 55 LEU H H 55 8.314 8.314 8.306 0.008 25943 7038 1 17 . 1 1 56 56 MET N N 56 115.790 115.790 119.871 -4.081 25943 7039 1 17 . 1 1 56 56 MET HA H 56 3.831 3.831 4.258 -0.427 25943 7040 1 17 . 1 1 56 56 MET CA C 56 60.849 60.849 58.671 2.178 25943 7041 1 17 . 1 1 56 56 MET CB C 56 34.668 34.668 32.735 1.933 25943 7042 1 17 . 1 1 56 56 MET H H 56 8.379 8.379 7.891 0.488 25943 7043 1 17 . 1 1 57 57 ILE N N 57 120.370 120.370 115.270 5.100 25943 7044 1 17 . 1 1 57 57 ILE HA H 57 3.437 3.437 4.065 -0.628 25943 7045 1 17 . 1 1 57 57 ILE CA C 57 64.850 64.850 63.639 1.211 25943 7046 1 17 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.836 0.516 25943 7047 1 17 . 1 1 57 57 ILE H H 57 8.007 8.007 7.625 0.382 25943 7048 1 17 . 1 1 58 58 ASP N N 58 122.569 122.569 120.825 1.744 25943 7049 1 17 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.394 -0.047 25943 7050 1 17 . 1 1 58 58 ASP CA C 58 56.662 56.662 56.877 -0.215 25943 7051 1 17 . 1 1 58 58 ASP CB C 58 37.910 37.910 40.801 -2.891 25943 7052 1 17 . 1 1 58 58 ASP H H 58 9.271 9.271 8.104 1.167 25943 7053 1 17 . 1 1 59 59 PHE N N 59 114.340 114.340 119.151 -4.811 25943 7054 1 17 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.381 -0.157 25943 7055 1 17 . 1 1 59 59 PHE CA C 59 61.376 61.376 59.881 1.495 25943 7056 1 17 . 1 1 59 59 PHE CB C 59 40.530 40.530 40.068 0.462 25943 7057 1 17 . 1 1 59 59 PHE H H 59 8.025 8.025 8.107 -0.082 25943 7058 1 17 . 1 1 60 60 ASN N N 60 112.830 112.830 115.453 -2.623 25943 7059 1 17 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.516 -0.384 25943 7060 1 17 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.350 1.264 25943 7061 1 17 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.814 2.146 25943 7062 1 17 . 1 1 60 60 ASN H H 60 7.601 7.601 7.856 -0.255 25943 7063 1 17 . 1 1 61 61 GLY N N 61 110.840 110.840 107.619 3.221 25943 7064 1 17 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.384 0.358 25943 7065 1 17 . 1 1 61 61 GLY H H 61 8.626 8.626 7.320 1.306 25943 7066 1 17 . 1 1 62 62 GLU N N 62 117.990 117.990 121.751 -3.761 25943 7067 1 17 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.730 0.202 25943 7068 1 17 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.282 2.457 25943 7069 1 17 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.627 0.622 25943 7070 1 17 . 1 1 62 62 GLU H H 62 8.841 8.841 8.745 0.096 25943 7071 1 17 . 1 1 63 63 GLU N N 63 118.090 118.090 118.404 -0.314 25943 7072 1 17 . 1 1 63 63 GLU HA H 63 4.028 4.028 3.402 0.626 25943 7073 1 17 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.518 1.234 25943 7074 1 17 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.506 -0.182 25943 7075 1 17 . 1 1 63 63 GLU H H 63 8.535 8.535 8.562 -0.027 25943 7076 1 17 . 1 1 64 64 LYS N N 64 119.720 119.720 119.909 -0.189 25943 7077 1 17 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.044 0.038 25943 7078 1 17 . 1 1 64 64 LYS CA C 64 59.184 59.184 59.008 0.176 25943 7079 1 17 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.130 -0.372 25943 7080 1 17 . 1 1 64 64 LYS H H 64 9.107 9.107 7.979 1.128 25943 7081 1 17 . 1 1 65 65 ALA N N 65 120.030 120.030 123.033 -3.003 25943 7082 1 17 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.140 -0.222 25943 7083 1 17 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.214 0.720 25943 7084 1 17 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.396 1.193 25943 7085 1 17 . 1 1 65 65 ALA H H 65 8.179 8.179 8.005 0.174 25943 7086 1 17 . 1 1 66 66 TRP N N 66 116.210 116.210 118.839 -2.629 25943 7087 1 17 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.352 -0.378 25943 7088 1 17 . 1 1 66 66 TRP CA C 66 61.302 61.302 58.405 2.897 25943 7089 1 17 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.065 0.890 25943 7090 1 17 . 1 1 66 66 TRP H H 66 7.900 7.900 7.524 0.376 25943 7091 1 17 . 1 1 67 67 ALA N N 67 119.640 119.640 122.437 -2.797 25943 7092 1 17 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.113 -0.082 25943 7093 1 17 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.002 0.610 25943 7094 1 17 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.199 -0.093 25943 7095 1 17 . 1 1 67 67 ALA H H 67 7.754 7.754 7.561 0.193 25943 7096 1 17 . 1 1 68 68 MET N N 68 118.260 118.260 117.212 1.048 25943 7097 1 17 . 1 1 68 68 MET HA H 68 4.262 4.262 4.242 0.020 25943 7098 1 17 . 1 1 68 68 MET CA C 68 58.647 58.647 56.967 1.680 25943 7099 1 17 . 1 1 68 68 MET CB C 68 34.369 34.369 31.977 2.392 25943 7100 1 17 . 1 1 68 68 MET H H 68 8.500 8.500 8.180 0.320 25943 7101 1 17 . 1 1 69 69 ALA N N 69 120.358 120.358 122.557 -2.199 25943 7102 1 17 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.068 -0.495 25943 7103 1 17 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.170 0.459 25943 7104 1 17 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.505 -0.792 25943 7105 1 17 . 1 1 69 69 ALA H H 69 7.922 7.922 8.371 -0.449 25943 7106 1 17 . 1 1 70 70 VAL N N 70 114.916 114.916 114.835 0.081 25943 7107 1 17 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.115 0.288 25943 7108 1 17 . 1 1 70 70 VAL CA C 70 67.934 67.934 64.796 3.138 25943 7109 1 17 . 1 1 70 70 VAL CB C 70 32.288 32.288 30.665 1.623 25943 7110 1 17 . 1 1 70 70 VAL H H 70 8.202 8.202 7.708 0.494 25943 7111 1 17 . 1 1 71 71 TRP N N 71 118.400 118.400 122.518 -4.118 25943 7112 1 17 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.272 -0.135 25943 7113 1 17 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.257 1.005 25943 7114 1 17 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.781 -0.539 25943 7115 1 17 . 1 1 71 71 TRP H H 71 7.806 7.806 7.491 0.315 25943 7116 1 17 . 1 1 72 72 ILE N N 72 119.430 119.430 118.798 0.632 25943 7117 1 17 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.582 -0.460 25943 7118 1 17 . 1 1 72 72 ILE CA C 72 65.863 65.863 63.602 2.261 25943 7119 1 17 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.034 -0.364 25943 7120 1 17 . 1 1 72 72 ILE H H 72 8.654 8.654 7.580 1.074 25943 7121 1 17 . 1 1 73 73 PHE N N 73 118.760 118.760 119.230 -0.470 25943 7122 1 17 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.126 0.388 25943 7123 1 17 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.283 -0.129 25943 7124 1 17 . 1 1 73 73 PHE CB C 73 37.321 37.321 36.941 0.380 25943 7125 1 17 . 1 1 73 73 PHE H H 73 9.015 9.015 7.315 1.700 25943 7126 1 17 . 1 1 74 74 ALA N N 74 118.190 118.190 120.119 -1.929 25943 7127 1 17 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.952 -0.291 25943 7128 1 17 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.571 0.591 25943 7129 1 17 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.611 -0.460 25943 7130 1 17 . 1 1 74 74 ALA H H 74 7.363 7.363 7.653 -0.290 25943 7131 1 17 . 1 1 75 75 ALA N N 75 122.920 122.920 122.710 0.210 25943 7132 1 17 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.890 -0.155 25943 7133 1 17 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.312 0.314 25943 7134 1 17 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.350 -0.773 25943 7135 1 17 . 1 1 75 75 ALA H H 75 7.640 7.640 7.110 0.530 25943 7136 1 17 . 1 1 76 76 ILE N N 76 108.850 108.850 115.085 -6.235 25943 7137 1 17 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.040 0.456 25943 7138 1 17 . 1 1 76 76 ILE CA C 76 60.678 60.678 61.131 -0.453 25943 7139 1 17 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.710 0.682 25943 7140 1 17 . 1 1 76 76 ILE H H 76 7.901 7.901 7.606 0.295 25943 7141 1 17 . 1 1 77 77 ASN N N 77 116.232 116.232 118.197 -1.965 25943 7142 1 17 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.298 -0.040 25943 7143 1 17 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.423 0.646 25943 7144 1 17 . 1 1 77 77 ASN CB C 77 36.918 36.918 36.562 0.356 25943 7145 1 17 . 1 1 77 77 ASN H H 77 7.865 7.865 7.845 0.020 25943 7146 1 17 . 1 1 78 78 ARG N N 78 118.810 118.810 118.249 0.561 25943 7147 1 17 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.501 0.467 25943 7148 1 17 . 1 1 78 78 ARG CA C 78 50.923 50.923 54.673 -3.750 25943 7149 1 17 . 1 1 78 78 ARG CB C 78 26.617 26.617 31.044 -4.427 25943 7150 1 17 . 1 1 78 78 ARG H H 78 8.325 8.325 7.679 0.646 25943 7151 1 17 . 1 1 79 79 ARG N N 79 122.270 122.270 120.004 2.266 25943 7152 1 17 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.925 -0.014 25943 7153 1 17 . 1 1 79 79 ARG CA C 79 59.194 59.194 60.036 -0.842 25943 7154 1 17 . 1 1 79 79 ARG CB C 79 29.558 29.558 30.088 -0.530 25943 7155 1 17 . 1 1 79 79 ARG H H 79 8.171 8.171 8.512 -0.341 25943 7156 1 17 . 1 1 80 80 ASP N N 80 117.180 117.180 119.444 -2.264 25943 7157 1 17 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.431 -0.572 25943 7158 1 17 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.029 -0.864 25943 7159 1 17 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.198 -1.826 25943 7160 1 17 . 1 1 80 80 ASP H H 80 9.124 9.124 8.152 0.972 25943 7161 1 17 . 1 1 81 81 LEU N N 81 120.540 120.540 119.868 0.672 25943 7162 1 17 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.114 -0.275 25943 7163 1 17 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.109 -0.346 25943 7164 1 17 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.867 -1.578 25943 7165 1 17 . 1 1 81 81 LEU H H 81 7.267 7.267 8.282 -1.015 25943 7166 1 17 . 1 1 82 82 TYR N N 82 119.140 119.140 120.777 -1.637 25943 7167 1 17 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.248 -0.089 25943 7168 1 17 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.167 1.072 25943 7169 1 17 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.342 0.349 25943 7170 1 17 . 1 1 82 82 TYR H H 82 8.041 8.041 8.086 -0.045 25943 7171 1 17 . 1 1 83 83 GLU N N 83 115.620 115.620 119.762 -4.142 25943 7172 1 17 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.600 0.096 25943 7173 1 17 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.426 -0.346 25943 7174 1 17 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.448 -0.311 25943 7175 1 17 . 1 1 83 83 GLU H H 83 8.194 8.194 7.776 0.418 25943 7176 1 17 . 1 1 84 84 LYS N N 84 118.080 118.080 118.181 -0.101 25943 7177 1 17 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.108 -0.191 25943 7178 1 17 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.721 1.043 25943 7179 1 17 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.564 0.810 25943 7180 1 17 . 1 1 84 84 LYS H H 84 7.446 7.446 7.411 0.035 25943 7181 1 17 . 1 1 85 85 ALA N N 85 120.470 120.470 123.066 -2.596 25943 7182 1 17 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.084 0.039 25943 7183 1 17 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.875 0.235 25943 7184 1 17 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.178 0.204 25943 7185 1 17 . 1 1 85 85 ALA H H 85 8.651 8.651 8.364 0.287 25943 7186 1 17 . 1 1 86 86 LYS N N 86 117.610 117.610 119.334 -1.724 25943 7187 1 17 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.113 -0.103 25943 7188 1 17 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.432 0.737 25943 7189 1 17 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.166 -0.374 25943 7190 1 17 . 1 1 86 86 LYS H H 86 8.059 8.059 7.813 0.246 25943 7191 1 17 . 1 1 87 87 ARG N N 87 116.900 116.900 114.776 2.124 25943 7192 1 17 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.247 -0.082 25943 7193 1 17 . 1 1 87 87 ARG CA C 87 57.700 57.700 57.769 -0.069 25943 7194 1 17 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.672 -0.356 25943 7195 1 17 . 1 1 87 87 ARG H H 87 7.196 7.196 7.699 -0.503 25943 7196 1 17 . 1 1 88 88 ASP N N 88 119.290 119.290 118.188 1.102 25943 7197 1 17 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.683 0.011 25943 7198 1 17 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.365 -0.696 25943 7199 1 17 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.991 0.428 25943 7200 1 17 . 1 1 88 88 ASP H H 88 7.507 7.507 7.820 -0.313 25943 7201 1 17 . 1 1 89 89 GLU N N 89 119.970 119.970 121.272 -1.302 25943 7202 1 17 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.020 -0.616 25943 7203 1 17 . 1 1 89 89 GLU CA C 89 54.435 54.435 55.032 -0.597 25943 7204 1 17 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.292 -1.071 25943 7205 1 17 . 1 1 89 89 GLU H H 89 7.337 7.337 7.569 -0.232 25943 7206 1 17 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.353 -0.147 25943 7207 1 17 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.909 0.347 25943 7208 1 17 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.559 -0.766 25943 7209 1 18 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.349 -0.193 25943 7210 1 18 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.120 -0.416 25943 7211 1 18 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.385 0.256 25943 7212 1 18 . 1 1 3 3 SER N N 3 115.850 115.850 116.502 -0.652 25943 7213 1 18 . 1 1 3 3 SER HA H 3 4.696 4.696 4.433 0.263 25943 7214 1 18 . 1 1 3 3 SER CA C 3 57.756 57.756 57.135 0.621 25943 7215 1 18 . 1 1 3 3 SER CB C 3 64.325 64.325 64.664 -0.339 25943 7216 1 18 . 1 1 3 3 SER H H 3 8.757 8.757 8.443 0.314 25943 7217 1 18 . 1 1 4 4 THR N N 4 118.590 118.590 122.543 -3.953 25943 7218 1 18 . 1 1 4 4 THR HA H 4 4.213 4.213 4.254 -0.041 25943 7219 1 18 . 1 1 4 4 THR CA C 4 64.714 64.714 64.614 0.100 25943 7220 1 18 . 1 1 4 4 THR CB C 4 68.864 68.864 68.836 0.028 25943 7221 1 18 . 1 1 4 4 THR H H 4 8.854 8.854 8.761 0.093 25943 7222 1 18 . 1 1 5 5 ARG N N 5 122.240 122.240 123.034 -0.794 25943 7223 1 18 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.086 -0.117 25943 7224 1 18 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.189 -0.930 25943 7225 1 18 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.038 0.233 25943 7226 1 18 . 1 1 5 5 ARG H H 5 8.535 8.535 7.755 0.780 25943 7227 1 18 . 1 1 6 6 CYS N N 6 118.400 118.400 116.320 2.080 25943 7228 1 18 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.261 -0.014 25943 7229 1 18 . 1 1 6 6 CYS CA C 6 61.224 61.224 61.911 -0.687 25943 7230 1 18 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.722 0.481 25943 7231 1 18 . 1 1 6 6 CYS H H 6 8.174 8.174 8.147 0.027 25943 7232 1 18 . 1 1 7 7 LYS N N 7 123.084 123.084 121.286 1.798 25943 7233 1 18 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.055 0.013 25943 7234 1 18 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.659 0.025 25943 7235 1 18 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.341 0.496 25943 7236 1 18 . 1 1 7 7 LYS H H 7 8.395 8.395 7.289 1.106 25943 7237 1 18 . 1 1 8 8 LEU N N 8 120.110 120.110 120.587 -0.477 25943 7238 1 18 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.179 -0.205 25943 7239 1 18 . 1 1 8 8 LEU CA C 8 58.238 58.238 58.292 -0.054 25943 7240 1 18 . 1 1 8 8 LEU CB C 8 41.454 41.454 42.010 -0.556 25943 7241 1 18 . 1 1 8 8 LEU H H 8 8.546 8.546 8.314 0.232 25943 7242 1 18 . 1 1 9 9 ALA N N 9 118.910 118.910 120.754 -1.844 25943 7243 1 18 . 1 1 9 9 ALA HA H 9 3.876 3.876 3.993 -0.117 25943 7244 1 18 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.073 0.563 25943 7245 1 18 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.277 0.298 25943 7246 1 18 . 1 1 9 9 ALA H H 9 8.076 8.076 7.812 0.264 25943 7247 1 18 . 1 1 10 10 ARG N N 10 116.760 116.760 118.580 -1.820 25943 7248 1 18 . 1 1 10 10 ARG HA H 10 3.952 3.952 3.930 0.022 25943 7249 1 18 . 1 1 10 10 ARG CA C 10 58.710 58.710 58.836 -0.126 25943 7250 1 18 . 1 1 10 10 ARG CB C 10 29.724 29.724 29.847 -0.123 25943 7251 1 18 . 1 1 10 10 ARG H H 10 7.556 7.556 7.858 -0.302 25943 7252 1 18 . 1 1 11 11 TYR N N 11 117.102 117.102 118.275 -1.173 25943 7253 1 18 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.200 0.146 25943 7254 1 18 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.494 0.204 25943 7255 1 18 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.646 -0.338 25943 7256 1 18 . 1 1 11 11 TYR H H 11 7.510 7.510 7.447 0.063 25943 7257 1 18 . 1 1 12 12 LEU N N 12 116.791 116.791 117.144 -0.353 25943 7258 1 18 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.840 0.057 25943 7259 1 18 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.169 0.407 25943 7260 1 18 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.342 -0.396 25943 7261 1 18 . 1 1 12 12 LEU H H 12 7.893 7.893 7.688 0.205 25943 7262 1 18 . 1 1 13 13 GLU N N 13 117.866 117.866 118.206 -0.340 25943 7263 1 18 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.146 -0.898 25943 7264 1 18 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.921 -0.255 25943 7265 1 18 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.673 -1.420 25943 7266 1 18 . 1 1 13 13 GLU H H 13 7.975 7.975 8.232 -0.257 25943 7267 1 18 . 1 1 14 14 ASP N N 14 116.190 116.190 117.365 -1.175 25943 7268 1 18 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.508 0.129 25943 7269 1 18 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.477 -0.343 25943 7270 1 18 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.977 -2.323 25943 7271 1 18 . 1 1 14 14 ASP H H 14 7.293 7.293 7.572 -0.279 25943 7272 1 18 . 1 1 15 15 LEU N N 15 119.530 119.530 120.749 -1.219 25943 7273 1 18 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.330 -0.021 25943 7274 1 18 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.379 0.310 25943 7275 1 18 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.751 -0.821 25943 7276 1 18 . 1 1 15 15 LEU H H 15 7.301 7.301 7.187 0.114 25943 7277 1 18 . 1 1 16 16 GLU N N 16 121.840 121.840 120.096 1.744 25943 7278 1 18 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.233 0.283 25943 7279 1 18 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.382 -0.576 25943 7280 1 18 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.419 -1.187 25943 7281 1 18 . 1 1 16 16 GLU H H 16 8.837 8.837 8.275 0.562 25943 7282 1 18 . 1 1 17 17 ASP N N 17 122.070 122.070 121.914 0.156 25943 7283 1 18 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.363 -0.014 25943 7284 1 18 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.887 0.881 25943 7285 1 18 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.574 -0.216 25943 7286 1 18 . 1 1 17 17 ASP H H 17 8.951 8.951 8.705 0.246 25943 7287 1 18 . 1 1 18 18 VAL N N 18 118.150 118.150 119.793 -1.643 25943 7288 1 18 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.821 0.038 25943 7289 1 18 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.576 0.410 25943 7290 1 18 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.459 0.084 25943 7291 1 18 . 1 1 18 18 VAL H H 18 8.613 8.613 7.958 0.655 25943 7292 1 18 . 1 1 19 19 ASP N N 19 120.600 120.600 119.245 1.355 25943 7293 1 18 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.522 0.184 25943 7294 1 18 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.028 -0.208 25943 7295 1 18 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.832 1.026 25943 7296 1 18 . 1 1 19 19 ASP H H 19 7.358 7.358 7.577 -0.219 25943 7297 1 18 . 1 1 20 20 LEU N N 20 123.020 123.020 121.687 1.333 25943 7298 1 18 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.097 0.050 25943 7299 1 18 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.846 0.269 25943 7300 1 18 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.828 -0.909 25943 7301 1 18 . 1 1 20 20 LEU H H 20 8.635 8.635 8.074 0.561 25943 7302 1 18 . 1 1 21 21 LYS N N 21 119.120 119.120 118.654 0.466 25943 7303 1 18 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.065 -0.033 25943 7304 1 18 . 1 1 21 21 LYS CA C 21 60.340 60.340 60.069 0.271 25943 7305 1 18 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.239 0.052 25943 7306 1 18 . 1 1 21 21 LYS H H 21 7.914 7.914 7.723 0.191 25943 7307 1 18 . 1 1 22 22 LYS N N 22 118.660 118.660 119.820 -1.160 25943 7308 1 18 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.158 0.022 25943 7309 1 18 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.463 0.716 25943 7310 1 18 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.373 1.242 25943 7311 1 18 . 1 1 22 22 LYS H H 22 7.715 7.715 7.518 0.197 25943 7312 1 18 . 1 1 23 23 PHE N N 23 123.360 123.360 120.641 2.719 25943 7313 1 18 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.314 -0.343 25943 7314 1 18 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.423 -0.033 25943 7315 1 18 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.546 0.907 25943 7316 1 18 . 1 1 23 23 PHE H H 23 9.148 9.148 8.466 0.682 25943 7317 1 18 . 1 1 24 24 LYS N N 24 117.660 117.660 120.064 -2.404 25943 7318 1 18 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.047 -0.272 25943 7319 1 18 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.788 1.427 25943 7320 1 18 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.617 0.690 25943 7321 1 18 . 1 1 24 24 LYS H H 24 8.750 8.750 7.887 0.863 25943 7322 1 18 . 1 1 25 25 MET N N 25 118.140 118.140 118.759 -0.619 25943 7323 1 18 . 1 1 25 25 MET HA H 25 3.955 3.955 4.038 -0.083 25943 7324 1 18 . 1 1 25 25 MET CA C 25 59.261 59.261 59.185 0.076 25943 7325 1 18 . 1 1 25 25 MET CB C 25 32.276 32.276 32.566 -0.290 25943 7326 1 18 . 1 1 25 25 MET H H 25 8.005 8.005 8.426 -0.421 25943 7327 1 18 . 1 1 26 26 HIS N N 26 114.610 114.610 118.355 -3.745 25943 7328 1 18 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.513 -0.192 25943 7329 1 18 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.185 0.023 25943 7330 1 18 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.609 -0.037 25943 7331 1 18 . 1 1 26 26 HIS H H 26 7.779 7.779 7.686 0.093 25943 7332 1 18 . 1 1 27 27 LEU N N 27 119.460 119.460 119.841 -0.381 25943 7333 1 18 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.177 -0.176 25943 7334 1 18 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.234 0.511 25943 7335 1 18 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.713 1.193 25943 7336 1 18 . 1 1 27 27 LEU H H 27 7.954 7.954 7.451 0.503 25943 7337 1 18 . 1 1 28 28 GLU N N 28 116.810 116.810 117.492 -0.682 25943 7338 1 18 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.225 0.078 25943 7339 1 18 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.229 -0.989 25943 7340 1 18 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.742 -1.242 25943 7341 1 18 . 1 1 28 28 GLU H H 28 7.870 7.870 8.352 -0.482 25943 7342 1 18 . 1 1 29 29 ASP N N 29 116.732 116.732 117.085 -0.353 25943 7343 1 18 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.697 0.171 25943 7344 1 18 . 1 1 29 29 ASP CA C 29 52.127 52.127 52.810 -0.683 25943 7345 1 18 . 1 1 29 29 ASP CB C 29 38.930 38.930 39.996 -1.066 25943 7346 1 18 . 1 1 29 29 ASP H H 29 7.548 7.548 7.498 0.050 25943 7347 1 18 . 1 1 30 30 TYR N N 30 125.460 125.460 123.364 2.096 25943 7348 1 18 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.613 -0.279 25943 7349 1 18 . 1 1 30 30 TYR CA C 30 58.750 58.750 57.140 1.610 25943 7350 1 18 . 1 1 30 30 TYR CB C 30 39.049 39.049 39.090 -0.042 25943 7351 1 18 . 1 1 30 30 TYR H H 30 6.837 6.837 7.576 -0.739 25943 7352 1 18 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.504 0.029 25943 7353 1 18 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.728 0.593 25943 7354 1 18 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.495 -1.166 25943 7355 1 18 . 1 1 33 33 GLN N N 33 120.060 120.060 124.775 -4.715 25943 7356 1 18 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.210 0.077 25943 7357 1 18 . 1 1 33 33 GLN CA C 33 56.012 56.012 56.465 -0.453 25943 7358 1 18 . 1 1 33 33 GLN CB C 33 29.730 29.730 30.494 -0.764 25943 7359 1 18 . 1 1 33 33 GLN H H 33 8.453 8.453 8.661 -0.208 25943 7360 1 18 . 1 1 34 34 LYS N N 34 121.020 121.020 118.596 2.424 25943 7361 1 18 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.359 -0.232 25943 7362 1 18 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.493 0.755 25943 7363 1 18 . 1 1 34 34 LYS CB C 34 31.837 31.837 32.748 -0.911 25943 7364 1 18 . 1 1 34 34 LYS H H 34 8.376 8.376 7.896 0.480 25943 7365 1 18 . 1 1 35 35 GLY N N 35 110.370 110.370 111.062 -0.692 25943 7366 1 18 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.240 0.759 25943 7367 1 18 . 1 1 35 35 GLY H H 35 8.630 8.630 8.412 0.218 25943 7368 1 18 . 1 1 36 36 CYS N N 36 117.850 117.850 118.127 -0.277 25943 7369 1 18 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.366 0.318 25943 7370 1 18 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.393 0.099 25943 7371 1 18 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.596 1.323 25943 7372 1 18 . 1 1 36 36 CYS H H 36 7.855 7.855 7.825 0.030 25943 7373 1 18 . 1 1 37 37 ILE N N 37 125.540 125.540 125.847 -0.307 25943 7374 1 18 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.375 0.229 25943 7375 1 18 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.810 -0.567 25943 7376 1 18 . 1 1 37 37 ILE CB C 37 39.328 39.328 39.269 0.059 25943 7377 1 18 . 1 1 37 37 ILE H H 37 9.362 9.362 8.252 1.110 25943 7378 1 18 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.564 -0.214 25943 7379 1 18 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.441 -0.197 25943 7380 1 18 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.289 0.171 25943 7381 1 18 . 1 1 39 39 LEU N N 39 120.950 120.950 124.489 -3.539 25943 7382 1 18 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.348 -0.458 25943 7383 1 18 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.555 -0.202 25943 7384 1 18 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.751 -0.373 25943 7385 1 18 . 1 1 39 39 LEU H H 39 7.503 7.503 8.173 -0.670 25943 7386 1 18 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.385 -0.035 25943 7387 1 18 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.602 -0.301 25943 7388 1 18 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.445 -0.197 25943 7389 1 18 . 1 1 41 41 ARG N N 41 127.030 127.030 124.577 2.453 25943 7390 1 18 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.000 -0.172 25943 7391 1 18 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.349 1.355 25943 7392 1 18 . 1 1 41 41 ARG CB C 41 30.281 30.281 29.606 0.675 25943 7393 1 18 . 1 1 41 41 ARG H H 41 8.997 8.997 8.601 0.396 25943 7394 1 18 . 1 1 42 42 GLY N N 42 106.770 106.770 106.786 -0.016 25943 7395 1 18 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.297 1.208 25943 7396 1 18 . 1 1 42 42 GLY H H 42 8.820 8.820 8.588 0.232 25943 7397 1 18 . 1 1 43 43 GLN N N 43 118.070 118.070 120.357 -2.287 25943 7398 1 18 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.142 -0.128 25943 7399 1 18 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.695 0.002 25943 7400 1 18 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.668 1.152 25943 7401 1 18 . 1 1 43 43 GLN H H 43 7.724 7.724 7.392 0.332 25943 7402 1 18 . 1 1 44 44 THR N N 44 115.670 115.670 114.919 0.751 25943 7403 1 18 . 1 1 44 44 THR HA H 44 4.220 4.220 4.049 0.171 25943 7404 1 18 . 1 1 44 44 THR CA C 44 67.781 67.781 66.093 1.688 25943 7405 1 18 . 1 1 44 44 THR CB C 44 67.781 67.781 68.709 -0.928 25943 7406 1 18 . 1 1 44 44 THR H H 44 7.641 7.641 7.558 0.083 25943 7407 1 18 . 1 1 45 45 GLU N N 45 119.340 119.340 120.698 -1.358 25943 7408 1 18 . 1 1 45 45 GLU HA H 45 3.750 3.750 3.996 -0.246 25943 7409 1 18 . 1 1 45 45 GLU CA C 45 59.829 59.829 59.057 0.772 25943 7410 1 18 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.001 0.324 25943 7411 1 18 . 1 1 45 45 GLU H H 45 8.412 8.412 8.234 0.178 25943 7412 1 18 . 1 1 46 46 LYS N N 46 115.700 115.700 116.148 -0.448 25943 7413 1 18 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.178 -0.006 25943 7414 1 18 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.386 0.451 25943 7415 1 18 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.574 0.707 25943 7416 1 18 . 1 1 46 46 LYS H H 46 7.289 7.289 7.495 -0.206 25943 7417 1 18 . 1 1 47 47 ALA N N 47 121.880 121.880 122.728 -0.848 25943 7418 1 18 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.261 0.026 25943 7419 1 18 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.101 1.000 25943 7420 1 18 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.526 0.149 25943 7421 1 18 . 1 1 47 47 ALA H H 47 7.072 7.072 7.432 -0.360 25943 7422 1 18 . 1 1 48 48 ASP N N 48 121.440 121.440 123.078 -1.638 25943 7423 1 18 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.531 0.132 25943 7424 1 18 . 1 1 48 48 ASP CA C 48 52.046 52.046 52.978 -0.932 25943 7425 1 18 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.893 -3.190 25943 7426 1 18 . 1 1 48 48 ASP H H 48 8.654 8.654 8.324 0.330 25943 7427 1 18 . 1 1 49 49 HIS N N 49 112.540 112.540 119.076 -6.536 25943 7428 1 18 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.218 -0.246 25943 7429 1 18 . 1 1 49 49 HIS CA C 49 60.276 60.276 60.199 0.077 25943 7430 1 18 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.763 -1.022 25943 7431 1 18 . 1 1 49 49 HIS H H 49 8.316 8.316 8.749 -0.433 25943 7432 1 18 . 1 1 50 50 VAL N N 50 117.460 117.460 117.748 -0.288 25943 7433 1 18 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.709 -0.032 25943 7434 1 18 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.482 -0.659 25943 7435 1 18 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.424 0.379 25943 7436 1 18 . 1 1 50 50 VAL H H 50 7.610 7.610 7.751 -0.141 25943 7437 1 18 . 1 1 51 51 ASP N N 51 121.430 121.430 119.621 1.809 25943 7438 1 18 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.339 0.096 25943 7439 1 18 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.862 -1.270 25943 7440 1 18 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.508 -1.093 25943 7441 1 18 . 1 1 51 51 ASP H H 51 8.490 8.490 8.129 0.361 25943 7442 1 18 . 1 1 52 52 LEU N N 52 121.030 121.030 121.292 -0.262 25943 7443 1 18 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.807 0.160 25943 7444 1 18 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.318 -0.641 25943 7445 1 18 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.785 -0.077 25943 7446 1 18 . 1 1 52 52 LEU H H 52 8.649 8.649 8.487 0.162 25943 7447 1 18 . 1 1 53 53 ALA N N 53 120.440 120.440 118.883 1.557 25943 7448 1 18 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.027 -0.092 25943 7449 1 18 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.147 0.451 25943 7450 1 18 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.144 -0.050 25943 7451 1 18 . 1 1 53 53 ALA H H 53 7.423 7.423 7.755 -0.332 25943 7452 1 18 . 1 1 54 54 THR N N 54 113.210 113.210 116.288 -3.078 25943 7453 1 18 . 1 1 54 54 THR HA H 54 3.712 3.712 4.148 -0.436 25943 7454 1 18 . 1 1 54 54 THR CA C 54 66.864 66.864 67.033 -0.169 25943 7455 1 18 . 1 1 54 54 THR CB C 54 68.868 68.868 68.630 0.238 25943 7456 1 18 . 1 1 54 54 THR H H 54 7.683 7.683 7.273 0.410 25943 7457 1 18 . 1 1 55 55 LEU N N 55 122.800 122.800 122.344 0.456 25943 7458 1 18 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.117 0.057 25943 7459 1 18 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.125 0.278 25943 7460 1 18 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.491 1.547 25943 7461 1 18 . 1 1 55 55 LEU H H 55 8.314 8.314 8.319 -0.005 25943 7462 1 18 . 1 1 56 56 MET N N 56 115.790 115.790 118.865 -3.075 25943 7463 1 18 . 1 1 56 56 MET HA H 56 3.831 3.831 4.361 -0.530 25943 7464 1 18 . 1 1 56 56 MET CA C 56 60.849 60.849 59.587 1.262 25943 7465 1 18 . 1 1 56 56 MET CB C 56 34.668 34.668 33.033 1.635 25943 7466 1 18 . 1 1 56 56 MET H H 56 8.379 8.379 7.868 0.511 25943 7467 1 18 . 1 1 57 57 ILE N N 57 120.370 120.370 119.936 0.434 25943 7468 1 18 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.845 -0.408 25943 7469 1 18 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.583 0.267 25943 7470 1 18 . 1 1 57 57 ILE CB C 57 38.352 38.352 38.171 0.181 25943 7471 1 18 . 1 1 57 57 ILE H H 57 8.007 8.007 7.642 0.365 25943 7472 1 18 . 1 1 58 58 ASP N N 58 122.569 122.569 119.523 3.046 25943 7473 1 18 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.459 -0.112 25943 7474 1 18 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.346 -0.684 25943 7475 1 18 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.281 -3.371 25943 7476 1 18 . 1 1 58 58 ASP H H 58 9.271 9.271 8.058 1.213 25943 7477 1 18 . 1 1 59 59 PHE N N 59 114.340 114.340 117.985 -3.645 25943 7478 1 18 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.516 -0.292 25943 7479 1 18 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.934 0.442 25943 7480 1 18 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.946 0.584 25943 7481 1 18 . 1 1 59 59 PHE H H 59 8.025 8.025 8.044 -0.019 25943 7482 1 18 . 1 1 60 60 ASN N N 60 112.830 112.830 115.869 -3.039 25943 7483 1 18 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.840 -0.708 25943 7484 1 18 . 1 1 60 60 ASN CA C 60 54.614 54.614 54.248 0.366 25943 7485 1 18 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.781 2.179 25943 7486 1 18 . 1 1 60 60 ASN H H 60 7.601 7.601 7.842 -0.241 25943 7487 1 18 . 1 1 61 61 GLY N N 61 110.840 110.840 106.190 4.650 25943 7488 1 18 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.517 0.225 25943 7489 1 18 . 1 1 61 61 GLY H H 61 8.626 8.626 7.275 1.351 25943 7490 1 18 . 1 1 62 62 GLU N N 62 117.990 117.990 120.787 -2.797 25943 7491 1 18 . 1 1 62 62 GLU HA H 62 3.932 3.932 4.470 -0.538 25943 7492 1 18 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.417 2.322 25943 7493 1 18 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.677 0.571 25943 7494 1 18 . 1 1 62 62 GLU H H 62 8.841 8.841 8.871 -0.030 25943 7495 1 18 . 1 1 63 63 GLU N N 63 118.090 118.090 119.643 -1.553 25943 7496 1 18 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.182 -0.154 25943 7497 1 18 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.321 1.431 25943 7498 1 18 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.941 -0.617 25943 7499 1 18 . 1 1 63 63 GLU H H 63 8.535 8.535 8.731 -0.196 25943 7500 1 18 . 1 1 64 64 LYS N N 64 119.720 119.720 119.265 0.455 25943 7501 1 18 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.222 -0.140 25943 7502 1 18 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.283 0.901 25943 7503 1 18 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.306 -0.548 25943 7504 1 18 . 1 1 64 64 LYS H H 64 9.107 9.107 8.217 0.890 25943 7505 1 18 . 1 1 65 65 ALA N N 65 120.030 120.030 122.606 -2.576 25943 7506 1 18 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.101 -0.183 25943 7507 1 18 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.343 0.591 25943 7508 1 18 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.108 1.481 25943 7509 1 18 . 1 1 65 65 ALA H H 65 8.179 8.179 8.080 0.099 25943 7510 1 18 . 1 1 66 66 TRP N N 66 116.210 116.210 118.395 -2.185 25943 7511 1 18 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.259 -0.285 25943 7512 1 18 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.838 0.464 25943 7513 1 18 . 1 1 66 66 TRP CB C 66 28.955 28.955 29.362 -0.407 25943 7514 1 18 . 1 1 66 66 TRP H H 66 7.900 7.900 7.900 -0.000 25943 7515 1 18 . 1 1 67 67 ALA N N 67 119.640 119.640 122.104 -2.464 25943 7516 1 18 . 1 1 67 67 ALA HA H 67 4.031 4.031 3.999 0.032 25943 7517 1 18 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.174 0.438 25943 7518 1 18 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.155 -0.049 25943 7519 1 18 . 1 1 67 67 ALA H H 67 7.754 7.754 7.757 -0.003 25943 7520 1 18 . 1 1 68 68 MET N N 68 118.260 118.260 117.469 0.791 25943 7521 1 18 . 1 1 68 68 MET HA H 68 4.262 4.262 4.210 0.052 25943 7522 1 18 . 1 1 68 68 MET CA C 68 58.647 58.647 56.910 1.737 25943 7523 1 18 . 1 1 68 68 MET CB C 68 34.369 34.369 31.830 2.539 25943 7524 1 18 . 1 1 68 68 MET H H 68 8.500 8.500 8.008 0.492 25943 7525 1 18 . 1 1 69 69 ALA N N 69 120.358 120.358 123.146 -2.788 25943 7526 1 18 . 1 1 69 69 ALA HA H 69 3.573 3.573 3.859 -0.286 25943 7527 1 18 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.019 0.610 25943 7528 1 18 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.053 -0.340 25943 7529 1 18 . 1 1 69 69 ALA H H 69 7.922 7.922 8.380 -0.458 25943 7530 1 18 . 1 1 70 70 VAL N N 70 114.916 114.916 116.862 -1.946 25943 7531 1 18 . 1 1 70 70 VAL HA H 70 3.403 3.403 2.874 0.529 25943 7532 1 18 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.900 2.034 25943 7533 1 18 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.650 0.638 25943 7534 1 18 . 1 1 70 70 VAL H H 70 8.202 8.202 7.710 0.492 25943 7535 1 18 . 1 1 71 71 TRP N N 71 118.400 118.400 121.386 -2.986 25943 7536 1 18 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.161 -0.024 25943 7537 1 18 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.336 0.926 25943 7538 1 18 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.667 -0.425 25943 7539 1 18 . 1 1 71 71 TRP H H 71 7.806 7.806 7.570 0.236 25943 7540 1 18 . 1 1 72 72 ILE N N 72 119.430 119.430 119.143 0.287 25943 7541 1 18 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.509 -0.387 25943 7542 1 18 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.997 0.866 25943 7543 1 18 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.841 -1.171 25943 7544 1 18 . 1 1 72 72 ILE H H 72 8.654 8.654 8.076 0.578 25943 7545 1 18 . 1 1 73 73 PHE N N 73 118.760 118.760 118.897 -0.137 25943 7546 1 18 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.105 0.409 25943 7547 1 18 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.197 -0.043 25943 7548 1 18 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.049 0.272 25943 7549 1 18 . 1 1 73 73 PHE H H 73 9.015 9.015 7.197 1.818 25943 7550 1 18 . 1 1 74 74 ALA N N 74 118.190 118.190 119.906 -1.716 25943 7551 1 18 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.935 -0.274 25943 7552 1 18 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.637 0.525 25943 7553 1 18 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.544 -0.393 25943 7554 1 18 . 1 1 74 74 ALA H H 74 7.363 7.363 7.650 -0.287 25943 7555 1 18 . 1 1 75 75 ALA N N 75 122.920 122.920 122.920 0.000 25943 7556 1 18 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.913 -0.178 25943 7557 1 18 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.397 0.229 25943 7558 1 18 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.459 -0.882 25943 7559 1 18 . 1 1 75 75 ALA H H 75 7.640 7.640 7.181 0.459 25943 7560 1 18 . 1 1 76 76 ILE N N 76 108.850 108.850 114.108 -5.258 25943 7561 1 18 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.097 0.399 25943 7562 1 18 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.694 -0.016 25943 7563 1 18 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.593 0.799 25943 7564 1 18 . 1 1 76 76 ILE H H 76 7.901 7.901 7.575 0.326 25943 7565 1 18 . 1 1 77 77 ASN N N 77 116.232 116.232 116.906 -0.674 25943 7566 1 18 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.342 -0.084 25943 7567 1 18 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.554 0.516 25943 7568 1 18 . 1 1 77 77 ASN CB C 77 36.918 36.918 38.316 -1.398 25943 7569 1 18 . 1 1 77 77 ASN H H 77 7.865 7.865 7.740 0.125 25943 7570 1 18 . 1 1 78 78 ARG N N 78 118.810 118.810 120.361 -1.551 25943 7571 1 18 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.208 0.760 25943 7572 1 18 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.132 -4.209 25943 7573 1 18 . 1 1 78 78 ARG CB C 78 26.617 26.617 28.642 -2.025 25943 7574 1 18 . 1 1 78 78 ARG H H 78 8.325 8.325 7.753 0.572 25943 7575 1 18 . 1 1 79 79 ARG N N 79 122.270 122.270 120.047 2.223 25943 7576 1 18 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.095 -0.184 25943 7577 1 18 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.319 -0.126 25943 7578 1 18 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.771 -0.213 25943 7579 1 18 . 1 1 79 79 ARG H H 79 8.171 8.171 8.452 -0.281 25943 7580 1 18 . 1 1 80 80 ASP N N 80 117.180 117.180 121.146 -3.966 25943 7581 1 18 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.413 -0.554 25943 7582 1 18 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.593 -1.428 25943 7583 1 18 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.417 -2.045 25943 7584 1 18 . 1 1 80 80 ASP H H 80 9.124 9.124 8.513 0.611 25943 7585 1 18 . 1 1 81 81 LEU N N 81 120.540 120.540 119.205 1.335 25943 7586 1 18 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.044 -0.205 25943 7587 1 18 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.359 -0.596 25943 7588 1 18 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.819 -1.530 25943 7589 1 18 . 1 1 81 81 LEU H H 81 7.267 7.267 7.781 -0.514 25943 7590 1 18 . 1 1 82 82 TYR N N 82 119.140 119.140 118.888 0.252 25943 7591 1 18 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.289 -0.130 25943 7592 1 18 . 1 1 82 82 TYR CA C 82 62.239 62.239 60.942 1.297 25943 7593 1 18 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.238 0.453 25943 7594 1 18 . 1 1 82 82 TYR H H 82 8.041 8.041 7.570 0.471 25943 7595 1 18 . 1 1 83 83 GLU N N 83 115.620 115.620 119.744 -4.124 25943 7596 1 18 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.564 0.132 25943 7597 1 18 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.416 -0.336 25943 7598 1 18 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.278 -0.141 25943 7599 1 18 . 1 1 83 83 GLU H H 83 8.194 8.194 7.824 0.370 25943 7600 1 18 . 1 1 84 84 LYS N N 84 118.080 118.080 119.192 -1.112 25943 7601 1 18 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.051 -0.134 25943 7602 1 18 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.738 1.026 25943 7603 1 18 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.215 1.159 25943 7604 1 18 . 1 1 84 84 LYS H H 84 7.446 7.446 7.392 0.054 25943 7605 1 18 . 1 1 85 85 ALA N N 85 120.470 120.470 121.822 -1.352 25943 7606 1 18 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.083 0.040 25943 7607 1 18 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.056 0.054 25943 7608 1 18 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.206 0.176 25943 7609 1 18 . 1 1 85 85 ALA H H 85 8.651 8.651 8.096 0.555 25943 7610 1 18 . 1 1 86 86 LYS N N 86 117.610 117.610 117.248 0.362 25943 7611 1 18 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.044 -0.034 25943 7612 1 18 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.135 1.034 25943 7613 1 18 . 1 1 86 86 LYS CB C 86 31.791 31.791 31.933 -0.142 25943 7614 1 18 . 1 1 86 86 LYS H H 86 8.059 8.059 8.015 0.044 25943 7615 1 18 . 1 1 87 87 ARG N N 87 116.900 116.900 116.003 0.897 25943 7616 1 18 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.226 -0.061 25943 7617 1 18 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.003 -0.303 25943 7618 1 18 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.594 -0.278 25943 7619 1 18 . 1 1 87 87 ARG H H 87 7.196 7.196 7.688 -0.492 25943 7620 1 18 . 1 1 88 88 ASP N N 88 119.290 119.290 116.668 2.622 25943 7621 1 18 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.807 -0.113 25943 7622 1 18 . 1 1 88 88 ASP CA C 88 53.669 53.669 55.009 -1.340 25943 7623 1 18 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.842 0.577 25943 7624 1 18 . 1 1 88 88 ASP H H 88 7.507 7.507 7.814 -0.307 25943 7625 1 18 . 1 1 89 89 GLU N N 89 119.970 119.970 120.779 -0.809 25943 7626 1 18 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.621 -1.217 25943 7627 1 18 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.476 -0.041 25943 7628 1 18 . 1 1 89 89 GLU CB C 89 28.221 28.221 30.199 -1.978 25943 7629 1 18 . 1 1 89 89 GLU H H 89 7.337 7.337 8.011 -0.674 25943 7630 1 18 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.402 -0.196 25943 7631 1 18 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.872 0.384 25943 7632 1 18 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.161 -0.368 25943 7633 1 19 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.329 -0.173 25943 7634 1 19 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.339 -0.636 25943 7635 1 19 . 1 1 2 2 ALA CB C 2 19.641 19.641 18.460 1.181 25943 7636 1 19 . 1 1 3 3 SER N N 3 115.850 115.850 119.354 -3.504 25943 7637 1 19 . 1 1 3 3 SER HA H 3 4.696 4.696 4.516 0.180 25943 7638 1 19 . 1 1 3 3 SER CA C 3 57.756 57.756 58.669 -0.913 25943 7639 1 19 . 1 1 3 3 SER CB C 3 64.325 64.325 64.809 -0.484 25943 7640 1 19 . 1 1 3 3 SER H H 3 8.757 8.757 8.181 0.576 25943 7641 1 19 . 1 1 4 4 THR N N 4 118.590 118.590 121.039 -2.449 25943 7642 1 19 . 1 1 4 4 THR HA H 4 4.213 4.213 4.111 0.102 25943 7643 1 19 . 1 1 4 4 THR CA C 4 64.714 64.714 65.916 -1.202 25943 7644 1 19 . 1 1 4 4 THR CB C 4 68.864 68.864 69.083 -0.219 25943 7645 1 19 . 1 1 4 4 THR H H 4 8.854 8.854 8.840 0.014 25943 7646 1 19 . 1 1 5 5 ARG N N 5 122.240 122.240 122.214 0.026 25943 7647 1 19 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.093 -0.124 25943 7648 1 19 . 1 1 5 5 ARG CA C 5 59.259 59.259 60.264 -1.005 25943 7649 1 19 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.102 0.168 25943 7650 1 19 . 1 1 5 5 ARG H H 5 8.535 8.535 8.532 0.003 25943 7651 1 19 . 1 1 6 6 CYS N N 6 118.400 118.400 116.435 1.965 25943 7652 1 19 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.266 -0.019 25943 7653 1 19 . 1 1 6 6 CYS CA C 6 61.224 61.224 62.808 -1.584 25943 7654 1 19 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.738 -0.535 25943 7655 1 19 . 1 1 6 6 CYS H H 6 8.174 8.174 7.940 0.234 25943 7656 1 19 . 1 1 7 7 LYS N N 7 123.084 123.084 121.261 1.823 25943 7657 1 19 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.100 -0.032 25943 7658 1 19 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.592 0.092 25943 7659 1 19 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.483 0.355 25943 7660 1 19 . 1 1 7 7 LYS H H 7 8.395 8.395 7.919 0.476 25943 7661 1 19 . 1 1 8 8 LEU N N 8 120.110 120.110 119.821 0.289 25943 7662 1 19 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.004 -0.030 25943 7663 1 19 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.514 0.724 25943 7664 1 19 . 1 1 8 8 LEU CB C 8 41.454 41.454 42.123 -0.669 25943 7665 1 19 . 1 1 8 8 LEU H H 8 8.546 8.546 8.127 0.419 25943 7666 1 19 . 1 1 9 9 ALA N N 9 118.910 118.910 121.364 -2.454 25943 7667 1 19 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.043 -0.167 25943 7668 1 19 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.001 0.636 25943 7669 1 19 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.334 0.241 25943 7670 1 19 . 1 1 9 9 ALA H H 9 8.076 8.076 8.035 0.041 25943 7671 1 19 . 1 1 10 10 ARG N N 10 116.760 116.760 118.538 -1.778 25943 7672 1 19 . 1 1 10 10 ARG HA H 10 3.952 3.952 3.964 -0.012 25943 7673 1 19 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.032 -0.322 25943 7674 1 19 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.114 -0.390 25943 7675 1 19 . 1 1 10 10 ARG H H 10 7.556 7.556 7.820 -0.264 25943 7676 1 19 . 1 1 11 11 TYR N N 11 117.102 117.102 119.505 -2.403 25943 7677 1 19 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.394 -0.047 25943 7678 1 19 . 1 1 11 11 TYR CA C 11 61.698 61.698 60.882 0.816 25943 7679 1 19 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.212 0.096 25943 7680 1 19 . 1 1 11 11 TYR H H 11 7.510 7.510 7.604 -0.094 25943 7681 1 19 . 1 1 12 12 LEU N N 12 116.791 116.791 118.237 -1.446 25943 7682 1 19 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.808 0.089 25943 7683 1 19 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.515 0.061 25943 7684 1 19 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.087 -0.141 25943 7685 1 19 . 1 1 12 12 LEU H H 12 7.893 7.893 7.610 0.283 25943 7686 1 19 . 1 1 13 13 GLU N N 13 117.866 117.866 116.648 1.218 25943 7687 1 19 . 1 1 13 13 GLU HA H 13 3.248 3.248 3.978 -0.730 25943 7688 1 19 . 1 1 13 13 GLU CA C 13 57.666 57.666 57.629 0.037 25943 7689 1 19 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.121 -0.868 25943 7690 1 19 . 1 1 13 13 GLU H H 13 7.975 7.975 7.420 0.555 25943 7691 1 19 . 1 1 14 14 ASP N N 14 116.190 116.190 118.111 -1.921 25943 7692 1 19 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.403 0.234 25943 7693 1 19 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.638 -0.503 25943 7694 1 19 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.552 -1.898 25943 7695 1 19 . 1 1 14 14 ASP H H 14 7.293 7.293 7.837 -0.544 25943 7696 1 19 . 1 1 15 15 LEU N N 15 119.530 119.530 119.744 -0.214 25943 7697 1 19 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.409 -0.100 25943 7698 1 19 . 1 1 15 15 LEU CA C 15 54.689 54.689 53.512 1.177 25943 7699 1 19 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.867 -0.937 25943 7700 1 19 . 1 1 15 15 LEU H H 15 7.301 7.301 7.155 0.146 25943 7701 1 19 . 1 1 16 16 GLU N N 16 121.840 121.840 120.295 1.545 25943 7702 1 19 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.209 0.307 25943 7703 1 19 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.015 -0.209 25943 7704 1 19 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.178 -1.946 25943 7705 1 19 . 1 1 16 16 GLU H H 16 8.837 8.837 8.346 0.491 25943 7706 1 19 . 1 1 17 17 ASP N N 17 122.070 122.070 123.883 -1.813 25943 7707 1 19 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.315 0.034 25943 7708 1 19 . 1 1 17 17 ASP CA C 17 58.768 58.768 58.152 0.616 25943 7709 1 19 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.456 -0.098 25943 7710 1 19 . 1 1 17 17 ASP H H 17 8.951 8.951 8.731 0.220 25943 7711 1 19 . 1 1 18 18 VAL N N 18 118.150 118.150 118.211 -0.061 25943 7712 1 19 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.754 0.105 25943 7713 1 19 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.726 0.260 25943 7714 1 19 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.410 0.133 25943 7715 1 19 . 1 1 18 18 VAL H H 18 8.613 8.613 8.037 0.576 25943 7716 1 19 . 1 1 19 19 ASP N N 19 120.600 120.600 120.529 0.071 25943 7717 1 19 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.469 0.237 25943 7718 1 19 . 1 1 19 19 ASP CA C 19 56.820 56.820 57.032 -0.212 25943 7719 1 19 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.826 1.032 25943 7720 1 19 . 1 1 19 19 ASP H H 19 7.358 7.358 7.652 -0.294 25943 7721 1 19 . 1 1 20 20 LEU N N 20 123.020 123.020 121.022 1.998 25943 7722 1 19 . 1 1 20 20 LEU HA H 20 4.147 4.147 3.995 0.152 25943 7723 1 19 . 1 1 20 20 LEU CA C 20 58.115 58.115 58.218 -0.102 25943 7724 1 19 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.801 -0.882 25943 7725 1 19 . 1 1 20 20 LEU H H 20 8.635 8.635 7.813 0.822 25943 7726 1 19 . 1 1 21 21 LYS N N 21 119.120 119.120 118.994 0.126 25943 7727 1 19 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.110 -0.078 25943 7728 1 19 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.894 0.446 25943 7729 1 19 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.319 -0.028 25943 7730 1 19 . 1 1 21 21 LYS H H 21 7.914 7.914 7.615 0.299 25943 7731 1 19 . 1 1 22 22 LYS N N 22 118.660 118.660 119.572 -0.912 25943 7732 1 19 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.022 0.158 25943 7733 1 19 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.980 1.198 25943 7734 1 19 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.363 1.252 25943 7735 1 19 . 1 1 22 22 LYS H H 22 7.715 7.715 7.563 0.152 25943 7736 1 19 . 1 1 23 23 PHE N N 23 123.360 123.360 121.030 2.330 25943 7737 1 19 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.116 -0.145 25943 7738 1 19 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.506 -0.116 25943 7739 1 19 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.285 1.168 25943 7740 1 19 . 1 1 23 23 PHE H H 23 9.148 9.148 8.418 0.730 25943 7741 1 19 . 1 1 24 24 LYS N N 24 117.660 117.660 118.650 -0.990 25943 7742 1 19 . 1 1 24 24 LYS HA H 24 3.775 3.775 3.992 -0.217 25943 7743 1 19 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.813 1.402 25943 7744 1 19 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.434 0.873 25943 7745 1 19 . 1 1 24 24 LYS H H 24 8.750 8.750 7.677 1.073 25943 7746 1 19 . 1 1 25 25 MET N N 25 118.140 118.140 118.732 -0.592 25943 7747 1 19 . 1 1 25 25 MET HA H 25 3.955 3.955 4.299 -0.344 25943 7748 1 19 . 1 1 25 25 MET CA C 25 59.261 59.261 58.384 0.877 25943 7749 1 19 . 1 1 25 25 MET CB C 25 32.276 32.276 32.804 -0.528 25943 7750 1 19 . 1 1 25 25 MET H H 25 8.005 8.005 7.623 0.382 25943 7751 1 19 . 1 1 26 26 HIS N N 26 114.610 114.610 117.069 -2.459 25943 7752 1 19 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.343 -0.022 25943 7753 1 19 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.683 0.525 25943 7754 1 19 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.135 0.437 25943 7755 1 19 . 1 1 26 26 HIS H H 26 7.779 7.779 7.939 -0.160 25943 7756 1 19 . 1 1 27 27 LEU N N 27 119.460 119.460 117.900 1.560 25943 7757 1 19 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.096 -0.095 25943 7758 1 19 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.510 0.236 25943 7759 1 19 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.404 1.502 25943 7760 1 19 . 1 1 27 27 LEU H H 27 7.954 7.954 7.522 0.432 25943 7761 1 19 . 1 1 28 28 GLU N N 28 116.810 116.810 115.877 0.933 25943 7762 1 19 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.244 0.059 25943 7763 1 19 . 1 1 28 28 GLU CA C 28 57.240 57.240 57.946 -0.706 25943 7764 1 19 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.087 -0.586 25943 7765 1 19 . 1 1 28 28 GLU H H 28 7.870 7.870 7.655 0.215 25943 7766 1 19 . 1 1 29 29 ASP N N 29 116.732 116.732 118.231 -1.499 25943 7767 1 19 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.402 0.466 25943 7768 1 19 . 1 1 29 29 ASP CA C 29 52.127 52.127 55.118 -2.991 25943 7769 1 19 . 1 1 29 29 ASP CB C 29 38.930 38.930 41.168 -2.238 25943 7770 1 19 . 1 1 29 29 ASP H H 29 7.548 7.548 7.719 -0.171 25943 7771 1 19 . 1 1 30 30 TYR N N 30 125.460 125.460 120.969 4.491 25943 7772 1 19 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.565 -0.231 25943 7773 1 19 . 1 1 30 30 TYR CA C 30 58.750 58.750 55.723 3.027 25943 7774 1 19 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.041 1.008 25943 7775 1 19 . 1 1 30 30 TYR H H 30 6.837 6.837 7.769 -0.932 25943 7776 1 19 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.435 0.098 25943 7777 1 19 . 1 1 32 32 PRO CA C 32 63.322 63.322 63.364 -0.042 25943 7778 1 19 . 1 1 32 32 PRO CB C 32 31.329 31.329 31.855 -0.526 25943 7779 1 19 . 1 1 33 33 GLN N N 33 120.060 120.060 123.731 -3.671 25943 7780 1 19 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.255 0.032 25943 7781 1 19 . 1 1 33 33 GLN CA C 33 56.012 56.012 54.961 1.051 25943 7782 1 19 . 1 1 33 33 GLN CB C 33 29.730 29.730 28.782 0.948 25943 7783 1 19 . 1 1 33 33 GLN H H 33 8.453 8.453 8.478 -0.025 25943 7784 1 19 . 1 1 34 34 LYS N N 34 121.020 121.020 118.164 2.856 25943 7785 1 19 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.091 0.036 25943 7786 1 19 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.873 0.375 25943 7787 1 19 . 1 1 34 34 LYS CB C 34 31.837 31.837 31.202 0.635 25943 7788 1 19 . 1 1 34 34 LYS H H 34 8.376 8.376 8.240 0.136 25943 7789 1 19 . 1 1 35 35 GLY N N 35 110.370 110.370 107.587 2.783 25943 7790 1 19 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.360 0.639 25943 7791 1 19 . 1 1 35 35 GLY H H 35 8.630 8.630 8.440 0.190 25943 7792 1 19 . 1 1 36 36 CYS N N 36 117.850 117.850 120.566 -2.716 25943 7793 1 19 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.812 -0.128 25943 7794 1 19 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.065 0.427 25943 7795 1 19 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.881 1.038 25943 7796 1 19 . 1 1 36 36 CYS H H 36 7.855 7.855 7.913 -0.058 25943 7797 1 19 . 1 1 37 37 ILE N N 37 125.540 125.540 124.072 1.468 25943 7798 1 19 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.520 0.084 25943 7799 1 19 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.515 -0.272 25943 7800 1 19 . 1 1 37 37 ILE CB C 37 39.328 39.328 37.044 2.284 25943 7801 1 19 . 1 1 37 37 ILE H H 37 9.362 9.362 8.473 0.889 25943 7802 1 19 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.370 -0.020 25943 7803 1 19 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.452 -0.207 25943 7804 1 19 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.298 0.162 25943 7805 1 19 . 1 1 39 39 LEU N N 39 120.950 120.950 125.427 -4.477 25943 7806 1 19 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.481 -0.591 25943 7807 1 19 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.120 0.233 25943 7808 1 19 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.991 0.387 25943 7809 1 19 . 1 1 39 39 LEU H H 39 7.503 7.503 8.408 -0.905 25943 7810 1 19 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.463 -0.113 25943 7811 1 19 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.617 -0.317 25943 7812 1 19 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.529 -0.281 25943 7813 1 19 . 1 1 41 41 ARG N N 41 127.030 127.030 125.643 1.387 25943 7814 1 19 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.976 -0.148 25943 7815 1 19 . 1 1 41 41 ARG CA C 41 60.704 60.704 60.354 0.350 25943 7816 1 19 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.192 0.089 25943 7817 1 19 . 1 1 41 41 ARG H H 41 8.997 8.997 8.685 0.312 25943 7818 1 19 . 1 1 42 42 GLY N N 42 106.770 106.770 104.921 1.849 25943 7819 1 19 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.763 0.742 25943 7820 1 19 . 1 1 42 42 GLY H H 42 8.820 8.820 8.655 0.165 25943 7821 1 19 . 1 1 43 43 GLN N N 43 118.070 118.070 120.577 -2.507 25943 7822 1 19 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.204 -0.190 25943 7823 1 19 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.483 0.214 25943 7824 1 19 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.330 1.490 25943 7825 1 19 . 1 1 43 43 GLN H H 43 7.724 7.724 7.481 0.243 25943 7826 1 19 . 1 1 44 44 THR N N 44 115.670 115.670 114.265 1.405 25943 7827 1 19 . 1 1 44 44 THR HA H 44 4.220 4.220 4.077 0.143 25943 7828 1 19 . 1 1 44 44 THR CA C 44 67.781 67.781 65.682 2.099 25943 7829 1 19 . 1 1 44 44 THR CB C 44 67.781 67.781 68.366 -0.585 25943 7830 1 19 . 1 1 44 44 THR H H 44 7.641 7.641 7.657 -0.016 25943 7831 1 19 . 1 1 45 45 GLU N N 45 119.340 119.340 121.221 -1.881 25943 7832 1 19 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.023 -0.273 25943 7833 1 19 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.929 0.900 25943 7834 1 19 . 1 1 45 45 GLU CB C 45 29.325 29.325 28.833 0.492 25943 7835 1 19 . 1 1 45 45 GLU H H 45 8.412 8.412 8.113 0.299 25943 7836 1 19 . 1 1 46 46 LYS N N 46 115.700 115.700 117.093 -1.393 25943 7837 1 19 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.168 0.004 25943 7838 1 19 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.579 0.258 25943 7839 1 19 . 1 1 46 46 LYS CB C 46 33.281 33.281 33.015 0.266 25943 7840 1 19 . 1 1 46 46 LYS H H 46 7.289 7.289 7.512 -0.223 25943 7841 1 19 . 1 1 47 47 ALA N N 47 121.880 121.880 122.249 -0.369 25943 7842 1 19 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.387 -0.100 25943 7843 1 19 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.215 0.886 25943 7844 1 19 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.826 -0.149 25943 7845 1 19 . 1 1 47 47 ALA H H 47 7.072 7.072 7.268 -0.196 25943 7846 1 19 . 1 1 48 48 ASP N N 48 121.440 121.440 122.265 -0.825 25943 7847 1 19 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.408 0.255 25943 7848 1 19 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.198 -1.152 25943 7849 1 19 . 1 1 48 48 ASP CB C 48 39.703 39.703 43.522 -3.819 25943 7850 1 19 . 1 1 48 48 ASP H H 48 8.654 8.654 8.475 0.179 25943 7851 1 19 . 1 1 49 49 HIS N N 49 112.540 112.540 119.247 -6.707 25943 7852 1 19 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.229 -0.257 25943 7853 1 19 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.232 1.044 25943 7854 1 19 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.936 -1.195 25943 7855 1 19 . 1 1 49 49 HIS H H 49 8.316 8.316 8.302 0.014 25943 7856 1 19 . 1 1 50 50 VAL N N 50 117.460 117.460 117.852 -0.392 25943 7857 1 19 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.760 -0.083 25943 7858 1 19 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.671 -0.848 25943 7859 1 19 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.415 0.388 25943 7860 1 19 . 1 1 50 50 VAL H H 50 7.610 7.610 8.195 -0.585 25943 7861 1 19 . 1 1 51 51 ASP N N 51 121.430 121.430 118.978 2.452 25943 7862 1 19 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.382 0.053 25943 7863 1 19 . 1 1 51 51 ASP CA C 51 56.592 56.592 56.751 -0.159 25943 7864 1 19 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.964 -1.549 25943 7865 1 19 . 1 1 51 51 ASP H H 51 8.490 8.490 8.135 0.355 25943 7866 1 19 . 1 1 52 52 LEU N N 52 121.030 121.030 120.651 0.379 25943 7867 1 19 . 1 1 52 52 LEU HA H 52 3.967 3.967 4.019 -0.052 25943 7868 1 19 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.123 -0.446 25943 7869 1 19 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.125 0.583 25943 7870 1 19 . 1 1 52 52 LEU H H 52 8.649 8.649 8.400 0.249 25943 7871 1 19 . 1 1 53 53 ALA N N 53 120.440 120.440 118.783 1.657 25943 7872 1 19 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.049 -0.114 25943 7873 1 19 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.198 0.400 25943 7874 1 19 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.299 -0.205 25943 7875 1 19 . 1 1 53 53 ALA H H 53 7.423 7.423 7.829 -0.406 25943 7876 1 19 . 1 1 54 54 THR N N 54 113.210 113.210 116.300 -3.090 25943 7877 1 19 . 1 1 54 54 THR HA H 54 3.712 3.712 4.166 -0.454 25943 7878 1 19 . 1 1 54 54 THR CA C 54 66.864 66.864 66.363 0.501 25943 7879 1 19 . 1 1 54 54 THR CB C 54 68.868 68.868 68.647 0.221 25943 7880 1 19 . 1 1 54 54 THR H H 54 7.683 7.683 7.460 0.223 25943 7881 1 19 . 1 1 55 55 LEU N N 55 122.800 122.800 122.603 0.197 25943 7882 1 19 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.309 -0.135 25943 7883 1 19 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.611 -0.208 25943 7884 1 19 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.186 1.852 25943 7885 1 19 . 1 1 55 55 LEU H H 55 8.314 8.314 8.176 0.138 25943 7886 1 19 . 1 1 56 56 MET N N 56 115.790 115.790 118.463 -2.673 25943 7887 1 19 . 1 1 56 56 MET HA H 56 3.831 3.831 4.263 -0.432 25943 7888 1 19 . 1 1 56 56 MET CA C 56 60.849 60.849 57.954 2.895 25943 7889 1 19 . 1 1 56 56 MET CB C 56 34.668 34.668 32.080 2.588 25943 7890 1 19 . 1 1 56 56 MET H H 56 8.379 8.379 7.924 0.455 25943 7891 1 19 . 1 1 57 57 ILE N N 57 120.370 120.370 120.027 0.343 25943 7892 1 19 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.816 -0.379 25943 7893 1 19 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.703 0.147 25943 7894 1 19 . 1 1 57 57 ILE CB C 57 38.352 38.352 38.025 0.327 25943 7895 1 19 . 1 1 57 57 ILE H H 57 8.007 8.007 7.808 0.199 25943 7896 1 19 . 1 1 58 58 ASP N N 58 122.569 122.569 120.507 2.062 25943 7897 1 19 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.409 -0.062 25943 7898 1 19 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.062 -0.400 25943 7899 1 19 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.159 -3.249 25943 7900 1 19 . 1 1 58 58 ASP H H 58 9.271 9.271 8.286 0.985 25943 7901 1 19 . 1 1 59 59 PHE N N 59 114.340 114.340 118.360 -4.020 25943 7902 1 19 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.365 -0.141 25943 7903 1 19 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.410 0.966 25943 7904 1 19 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.282 1.248 25943 7905 1 19 . 1 1 59 59 PHE H H 59 8.025 8.025 8.446 -0.421 25943 7906 1 19 . 1 1 60 60 ASN N N 60 112.830 112.830 114.865 -2.035 25943 7907 1 19 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.815 -0.683 25943 7908 1 19 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.383 1.232 25943 7909 1 19 . 1 1 60 60 ASN CB C 60 42.960 42.960 39.726 3.234 25943 7910 1 19 . 1 1 60 60 ASN H H 60 7.601 7.601 7.845 -0.244 25943 7911 1 19 . 1 1 61 61 GLY N N 61 110.840 110.840 106.230 4.610 25943 7912 1 19 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.610 0.132 25943 7913 1 19 . 1 1 61 61 GLY H H 61 8.626 8.626 7.165 1.461 25943 7914 1 19 . 1 1 62 62 GLU N N 62 117.990 117.990 121.372 -3.382 25943 7915 1 19 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.789 0.143 25943 7916 1 19 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.041 2.698 25943 7917 1 19 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.460 0.788 25943 7918 1 19 . 1 1 62 62 GLU H H 62 8.841 8.841 8.754 0.087 25943 7919 1 19 . 1 1 63 63 GLU N N 63 118.090 118.090 118.731 -0.641 25943 7920 1 19 . 1 1 63 63 GLU HA H 63 4.028 4.028 3.906 0.122 25943 7921 1 19 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.142 1.610 25943 7922 1 19 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.892 -0.568 25943 7923 1 19 . 1 1 63 63 GLU H H 63 8.535 8.535 8.425 0.110 25943 7924 1 19 . 1 1 64 64 LYS N N 64 119.720 119.720 119.960 -0.240 25943 7925 1 19 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.169 -0.087 25943 7926 1 19 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.260 0.924 25943 7927 1 19 . 1 1 64 64 LYS CB C 64 31.758 31.758 31.979 -0.221 25943 7928 1 19 . 1 1 64 64 LYS H H 64 9.107 9.107 8.072 1.035 25943 7929 1 19 . 1 1 65 65 ALA N N 65 120.030 120.030 122.454 -2.424 25943 7930 1 19 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.144 -0.226 25943 7931 1 19 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.398 0.536 25943 7932 1 19 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.344 1.245 25943 7933 1 19 . 1 1 65 65 ALA H H 65 8.179 8.179 7.982 0.197 25943 7934 1 19 . 1 1 66 66 TRP N N 66 116.210 116.210 119.581 -3.371 25943 7935 1 19 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.312 -0.338 25943 7936 1 19 . 1 1 66 66 TRP CA C 66 61.302 61.302 59.599 1.703 25943 7937 1 19 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.460 0.495 25943 7938 1 19 . 1 1 66 66 TRP H H 66 7.900 7.900 7.751 0.149 25943 7939 1 19 . 1 1 67 67 ALA N N 67 119.640 119.640 121.977 -2.337 25943 7940 1 19 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.066 -0.035 25943 7941 1 19 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.186 0.426 25943 7942 1 19 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.219 -0.113 25943 7943 1 19 . 1 1 67 67 ALA H H 67 7.754 7.754 7.808 -0.054 25943 7944 1 19 . 1 1 68 68 MET N N 68 118.260 118.260 116.857 1.403 25943 7945 1 19 . 1 1 68 68 MET HA H 68 4.262 4.262 4.309 -0.047 25943 7946 1 19 . 1 1 68 68 MET CA C 68 58.647 58.647 57.360 1.287 25943 7947 1 19 . 1 1 68 68 MET CB C 68 34.369 34.369 32.033 2.336 25943 7948 1 19 . 1 1 68 68 MET H H 68 8.500 8.500 8.269 0.231 25943 7949 1 19 . 1 1 69 69 ALA N N 69 120.358 120.358 122.604 -2.246 25943 7950 1 19 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.057 -0.484 25943 7951 1 19 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.090 0.539 25943 7952 1 19 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.412 -0.699 25943 7953 1 19 . 1 1 69 69 ALA H H 69 7.922 7.922 8.352 -0.430 25943 7954 1 19 . 1 1 70 70 VAL N N 70 114.916 114.916 114.734 0.182 25943 7955 1 19 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.507 -0.104 25943 7956 1 19 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.490 2.443 25943 7957 1 19 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.702 0.586 25943 7958 1 19 . 1 1 70 70 VAL H H 70 8.202 8.202 8.161 0.041 25943 7959 1 19 . 1 1 71 71 TRP N N 71 118.400 118.400 121.623 -3.223 25943 7960 1 19 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.381 -0.244 25943 7961 1 19 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.313 0.949 25943 7962 1 19 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.946 -0.704 25943 7963 1 19 . 1 1 71 71 TRP H H 71 7.806 7.806 7.883 -0.077 25943 7964 1 19 . 1 1 72 72 ILE N N 72 119.430 119.430 119.101 0.329 25943 7965 1 19 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.817 -0.695 25943 7966 1 19 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.301 1.562 25943 7967 1 19 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.489 -0.819 25943 7968 1 19 . 1 1 72 72 ILE H H 72 8.654 8.654 7.611 1.043 25943 7969 1 19 . 1 1 73 73 PHE N N 73 118.760 118.760 119.085 -0.325 25943 7970 1 19 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.180 0.334 25943 7971 1 19 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.426 -0.272 25943 7972 1 19 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.011 0.310 25943 7973 1 19 . 1 1 73 73 PHE H H 73 9.015 9.015 7.144 1.871 25943 7974 1 19 . 1 1 74 74 ALA N N 74 118.190 118.190 119.760 -1.570 25943 7975 1 19 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.933 -0.272 25943 7976 1 19 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.496 0.666 25943 7977 1 19 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.624 -0.473 25943 7978 1 19 . 1 1 74 74 ALA H H 74 7.363 7.363 7.726 -0.363 25943 7979 1 19 . 1 1 75 75 ALA N N 75 122.920 122.920 121.434 1.486 25943 7980 1 19 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.940 -0.205 25943 7981 1 19 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.081 0.545 25943 7982 1 19 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.675 -1.098 25943 7983 1 19 . 1 1 75 75 ALA H H 75 7.640 7.640 7.322 0.318 25943 7984 1 19 . 1 1 76 76 ILE N N 76 108.850 108.850 115.598 -6.748 25943 7985 1 19 . 1 1 76 76 ILE HA H 76 4.496 4.496 3.958 0.538 25943 7986 1 19 . 1 1 76 76 ILE CA C 76 60.678 60.678 61.599 -0.920 25943 7987 1 19 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.906 0.486 25943 7988 1 19 . 1 1 76 76 ILE H H 76 7.901 7.901 7.480 0.421 25943 7989 1 19 . 1 1 77 77 ASN N N 77 116.232 116.232 113.077 3.155 25943 7990 1 19 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.328 -0.070 25943 7991 1 19 . 1 1 77 77 ASN CA C 77 55.070 55.070 55.354 -0.284 25943 7992 1 19 . 1 1 77 77 ASN CB C 77 36.918 36.918 36.705 0.213 25943 7993 1 19 . 1 1 77 77 ASN H H 77 7.865 7.865 7.734 0.131 25943 7994 1 19 . 1 1 78 78 ARG N N 78 118.810 118.810 120.829 -2.019 25943 7995 1 19 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.285 0.683 25943 7996 1 19 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.811 -4.888 25943 7997 1 19 . 1 1 78 78 ARG CB C 78 26.617 26.617 28.425 -1.808 25943 7998 1 19 . 1 1 78 78 ARG H H 78 8.325 8.325 7.704 0.621 25943 7999 1 19 . 1 1 79 79 ARG N N 79 122.270 122.270 120.167 2.103 25943 8000 1 19 . 1 1 79 79 ARG HA H 79 3.911 3.911 3.942 -0.031 25943 8001 1 19 . 1 1 79 79 ARG CA C 79 59.194 59.194 60.099 -0.905 25943 8002 1 19 . 1 1 79 79 ARG CB C 79 29.558 29.558 30.152 -0.594 25943 8003 1 19 . 1 1 79 79 ARG H H 79 8.171 8.171 8.120 0.051 25943 8004 1 19 . 1 1 80 80 ASP N N 80 117.180 117.180 119.600 -2.420 25943 8005 1 19 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.560 -0.701 25943 8006 1 19 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.213 -1.048 25943 8007 1 19 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.648 -2.276 25943 8008 1 19 . 1 1 80 80 ASP H H 80 9.124 9.124 8.327 0.797 25943 8009 1 19 . 1 1 81 81 LEU N N 81 120.540 120.540 119.386 1.154 25943 8010 1 19 . 1 1 81 81 LEU HA H 81 3.839 3.839 3.980 -0.141 25943 8011 1 19 . 1 1 81 81 LEU CA C 81 56.763 56.763 56.935 -0.173 25943 8012 1 19 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.906 -1.617 25943 8013 1 19 . 1 1 81 81 LEU H H 81 7.267 7.267 7.675 -0.408 25943 8014 1 19 . 1 1 82 82 TYR N N 82 119.140 119.140 119.474 -0.334 25943 8015 1 19 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.217 -0.058 25943 8016 1 19 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.871 0.368 25943 8017 1 19 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.522 0.170 25943 8018 1 19 . 1 1 82 82 TYR H H 82 8.041 8.041 8.185 -0.144 25943 8019 1 19 . 1 1 83 83 GLU N N 83 115.620 115.620 118.845 -3.225 25943 8020 1 19 . 1 1 83 83 GLU HA H 83 3.696 3.696 4.009 -0.313 25943 8021 1 19 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.185 -0.105 25943 8022 1 19 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.471 -0.335 25943 8023 1 19 . 1 1 83 83 GLU H H 83 8.194 8.194 7.819 0.375 25943 8024 1 19 . 1 1 84 84 LYS N N 84 118.080 118.080 119.198 -1.118 25943 8025 1 19 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.149 -0.232 25943 8026 1 19 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.306 1.458 25943 8027 1 19 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.064 1.310 25943 8028 1 19 . 1 1 84 84 LYS H H 84 7.446 7.446 7.503 -0.057 25943 8029 1 19 . 1 1 85 85 ALA N N 85 120.470 120.470 122.048 -1.578 25943 8030 1 19 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.034 0.089 25943 8031 1 19 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.142 -0.033 25943 8032 1 19 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.259 0.123 25943 8033 1 19 . 1 1 85 85 ALA H H 85 8.651 8.651 8.323 0.328 25943 8034 1 19 . 1 1 86 86 LYS N N 86 117.610 117.610 117.001 0.609 25943 8035 1 19 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.961 0.049 25943 8036 1 19 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.264 0.905 25943 8037 1 19 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.322 -0.531 25943 8038 1 19 . 1 1 86 86 LYS H H 86 8.059 8.059 7.425 0.634 25943 8039 1 19 . 1 1 87 87 ARG N N 87 116.900 116.900 116.581 0.319 25943 8040 1 19 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.220 -0.055 25943 8041 1 19 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.287 -0.587 25943 8042 1 19 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.767 -0.451 25943 8043 1 19 . 1 1 87 87 ARG H H 87 7.196 7.196 7.668 -0.472 25943 8044 1 19 . 1 1 88 88 ASP N N 88 119.290 119.290 118.345 0.945 25943 8045 1 19 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.542 0.152 25943 8046 1 19 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.753 -1.084 25943 8047 1 19 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.788 0.631 25943 8048 1 19 . 1 1 88 88 ASP H H 88 7.507 7.507 7.784 -0.277 25943 8049 1 19 . 1 1 89 89 GLU N N 89 119.970 119.970 121.136 -1.166 25943 8050 1 19 . 1 1 89 89 GLU HA H 89 3.404 3.404 3.876 -0.472 25943 8051 1 19 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.925 -0.489 25943 8052 1 19 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.901 -1.679 25943 8053 1 19 . 1 1 89 89 GLU H H 89 7.337 7.337 7.327 0.010 25943 8054 1 19 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.388 -0.182 25943 8055 1 19 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.825 0.431 25943 8056 1 19 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.376 -0.583 25943 8057 1 20 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.641 -0.485 25943 8058 1 20 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.165 -0.462 25943 8059 1 20 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.967 -0.326 25943 8060 1 20 . 1 1 3 3 SER N N 3 115.850 115.850 117.606 -1.756 25943 8061 1 20 . 1 1 3 3 SER HA H 3 4.696 4.696 4.558 0.138 25943 8062 1 20 . 1 1 3 3 SER CA C 3 57.756 57.756 57.907 -0.152 25943 8063 1 20 . 1 1 3 3 SER CB C 3 64.325 64.325 64.340 -0.015 25943 8064 1 20 . 1 1 3 3 SER H H 3 8.757 8.757 8.276 0.481 25943 8065 1 20 . 1 1 4 4 THR N N 4 118.590 118.590 123.717 -5.127 25943 8066 1 20 . 1 1 4 4 THR HA H 4 4.213 4.213 4.147 0.066 25943 8067 1 20 . 1 1 4 4 THR CA C 4 64.714 64.714 65.802 -1.088 25943 8068 1 20 . 1 1 4 4 THR CB C 4 68.864 68.864 69.070 -0.206 25943 8069 1 20 . 1 1 4 4 THR H H 4 8.854 8.854 8.868 -0.014 25943 8070 1 20 . 1 1 5 5 ARG N N 5 122.240 122.240 121.722 0.518 25943 8071 1 20 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.091 -0.122 25943 8072 1 20 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.316 -0.057 25943 8073 1 20 . 1 1 5 5 ARG CB C 5 30.271 30.271 30.202 0.069 25943 8074 1 20 . 1 1 5 5 ARG H H 5 8.535 8.535 8.035 0.500 25943 8075 1 20 . 1 1 6 6 CYS N N 6 118.400 118.400 115.539 2.861 25943 8076 1 20 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.365 -0.118 25943 8077 1 20 . 1 1 6 6 CYS CA C 6 61.224 61.224 61.766 -0.541 25943 8078 1 20 . 1 1 6 6 CYS CB C 6 27.203 27.203 26.526 0.677 25943 8079 1 20 . 1 1 6 6 CYS H H 6 8.174 8.174 7.793 0.381 25943 8080 1 20 . 1 1 7 7 LYS N N 7 123.084 123.084 121.473 1.611 25943 8081 1 20 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.197 -0.129 25943 8082 1 20 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.129 0.555 25943 8083 1 20 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.226 0.611 25943 8084 1 20 . 1 1 7 7 LYS H H 7 8.395 8.395 7.688 0.707 25943 8085 1 20 . 1 1 8 8 LEU N N 8 120.110 120.110 119.456 0.654 25943 8086 1 20 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.160 -0.186 25943 8087 1 20 . 1 1 8 8 LEU CA C 8 58.238 58.238 58.195 0.043 25943 8088 1 20 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.547 -0.093 25943 8089 1 20 . 1 1 8 8 LEU H H 8 8.546 8.546 8.268 0.278 25943 8090 1 20 . 1 1 9 9 ALA N N 9 118.910 118.910 120.270 -1.360 25943 8091 1 20 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.157 -0.281 25943 8092 1 20 . 1 1 9 9 ALA CA C 9 55.636 55.636 54.765 0.871 25943 8093 1 20 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.434 0.141 25943 8094 1 20 . 1 1 9 9 ALA H H 9 8.076 8.076 7.863 0.213 25943 8095 1 20 . 1 1 10 10 ARG N N 10 116.760 116.760 118.702 -1.942 25943 8096 1 20 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.016 -0.064 25943 8097 1 20 . 1 1 10 10 ARG CA C 10 58.710 58.710 58.990 -0.280 25943 8098 1 20 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.182 -0.458 25943 8099 1 20 . 1 1 10 10 ARG H H 10 7.556 7.556 7.728 -0.172 25943 8100 1 20 . 1 1 11 11 TYR N N 11 117.102 117.102 119.297 -2.195 25943 8101 1 20 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.270 0.077 25943 8102 1 20 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.646 0.052 25943 8103 1 20 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.586 -0.278 25943 8104 1 20 . 1 1 11 11 TYR H H 11 7.510 7.510 8.286 -0.776 25943 8105 1 20 . 1 1 12 12 LEU N N 12 116.791 116.791 119.848 -3.057 25943 8106 1 20 . 1 1 12 12 LEU HA H 12 3.897 3.897 4.019 -0.122 25943 8107 1 20 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.599 -0.023 25943 8108 1 20 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.901 -0.955 25943 8109 1 20 . 1 1 12 12 LEU H H 12 7.893 7.893 8.185 -0.292 25943 8110 1 20 . 1 1 13 13 GLU N N 13 117.866 117.866 117.238 0.628 25943 8111 1 20 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.247 -0.999 25943 8112 1 20 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.355 -0.689 25943 8113 1 20 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.638 -1.385 25943 8114 1 20 . 1 1 13 13 GLU H H 13 7.975 7.975 7.632 0.343 25943 8115 1 20 . 1 1 14 14 ASP N N 14 116.190 116.190 117.535 -1.345 25943 8116 1 20 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.489 0.148 25943 8117 1 20 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.872 -0.737 25943 8118 1 20 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.978 -2.324 25943 8119 1 20 . 1 1 14 14 ASP H H 14 7.293 7.293 7.708 -0.415 25943 8120 1 20 . 1 1 15 15 LEU N N 15 119.530 119.530 118.923 0.607 25943 8121 1 20 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.229 0.080 25943 8122 1 20 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.891 -0.202 25943 8123 1 20 . 1 1 15 15 LEU CB C 15 41.930 41.930 43.153 -1.223 25943 8124 1 20 . 1 1 15 15 LEU H H 15 7.301 7.301 7.204 0.097 25943 8125 1 20 . 1 1 16 16 GLU N N 16 121.840 121.840 121.024 0.816 25943 8126 1 20 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.204 0.312 25943 8127 1 20 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.178 -0.372 25943 8128 1 20 . 1 1 16 16 GLU CB C 16 29.232 29.232 31.363 -2.131 25943 8129 1 20 . 1 1 16 16 GLU H H 16 8.837 8.837 8.744 0.093 25943 8130 1 20 . 1 1 17 17 ASP N N 17 122.070 122.070 121.815 0.255 25943 8131 1 20 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.432 -0.083 25943 8132 1 20 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.434 1.333 25943 8133 1 20 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.283 0.075 25943 8134 1 20 . 1 1 17 17 ASP H H 17 8.951 8.951 8.895 0.056 25943 8135 1 20 . 1 1 18 18 VAL N N 18 118.150 118.150 119.524 -1.374 25943 8136 1 20 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.788 0.071 25943 8137 1 20 . 1 1 18 18 VAL CA C 18 65.986 65.986 66.398 -0.412 25943 8138 1 20 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.545 -0.002 25943 8139 1 20 . 1 1 18 18 VAL H H 18 8.613 8.613 8.195 0.418 25943 8140 1 20 . 1 1 19 19 ASP N N 19 120.600 120.600 118.341 2.259 25943 8141 1 20 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.437 0.269 25943 8142 1 20 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.276 0.544 25943 8143 1 20 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.259 1.599 25943 8144 1 20 . 1 1 19 19 ASP H H 19 7.358 7.358 8.245 -0.887 25943 8145 1 20 . 1 1 20 20 LEU N N 20 123.020 123.020 122.123 0.897 25943 8146 1 20 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.028 0.119 25943 8147 1 20 . 1 1 20 20 LEU CA C 20 58.115 58.115 58.322 -0.207 25943 8148 1 20 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.965 -1.046 25943 8149 1 20 . 1 1 20 20 LEU H H 20 8.635 8.635 7.694 0.941 25943 8150 1 20 . 1 1 21 21 LYS N N 21 119.120 119.120 117.734 1.386 25943 8151 1 20 . 1 1 21 21 LYS HA H 21 4.032 4.032 3.991 0.041 25943 8152 1 20 . 1 1 21 21 LYS CA C 21 60.340 60.340 58.912 1.428 25943 8153 1 20 . 1 1 21 21 LYS CB C 21 32.291 32.291 31.523 0.768 25943 8154 1 20 . 1 1 21 21 LYS H H 21 7.914 7.914 7.636 0.278 25943 8155 1 20 . 1 1 22 22 LYS N N 22 118.660 118.660 119.111 -0.451 25943 8156 1 20 . 1 1 22 22 LYS HA H 22 4.180 4.180 3.998 0.182 25943 8157 1 20 . 1 1 22 22 LYS CA C 22 60.179 60.179 58.617 1.562 25943 8158 1 20 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.074 1.541 25943 8159 1 20 . 1 1 22 22 LYS H H 22 7.715 7.715 7.316 0.399 25943 8160 1 20 . 1 1 23 23 PHE N N 23 123.360 123.360 121.665 1.695 25943 8161 1 20 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.418 -0.447 25943 8162 1 20 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.990 -0.600 25943 8163 1 20 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.196 1.257 25943 8164 1 20 . 1 1 23 23 PHE H H 23 9.148 9.148 8.436 0.712 25943 8165 1 20 . 1 1 24 24 LYS N N 24 117.660 117.660 119.292 -1.632 25943 8166 1 20 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.091 -0.316 25943 8167 1 20 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.257 1.958 25943 8168 1 20 . 1 1 24 24 LYS CB C 24 33.307 33.307 31.974 1.333 25943 8169 1 20 . 1 1 24 24 LYS H H 24 8.750 8.750 7.703 1.047 25943 8170 1 20 . 1 1 25 25 MET N N 25 118.140 118.140 118.782 -0.642 25943 8171 1 20 . 1 1 25 25 MET HA H 25 3.955 3.955 4.077 -0.122 25943 8172 1 20 . 1 1 25 25 MET CA C 25 59.261 59.261 57.682 1.579 25943 8173 1 20 . 1 1 25 25 MET CB C 25 32.276 32.276 32.126 0.150 25943 8174 1 20 . 1 1 25 25 MET H H 25 8.005 8.005 7.654 0.351 25943 8175 1 20 . 1 1 26 26 HIS N N 26 114.610 114.610 117.202 -2.592 25943 8176 1 20 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.303 0.018 25943 8177 1 20 . 1 1 26 26 HIS CA C 26 59.208 59.208 59.234 -0.026 25943 8178 1 20 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.618 -0.046 25943 8179 1 20 . 1 1 26 26 HIS H H 26 7.779 7.779 7.423 0.356 25943 8180 1 20 . 1 1 27 27 LEU N N 27 119.460 119.460 118.398 1.062 25943 8181 1 20 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.082 -0.081 25943 8182 1 20 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.426 0.320 25943 8183 1 20 . 1 1 27 27 LEU CB C 27 42.906 42.906 42.234 0.672 25943 8184 1 20 . 1 1 27 27 LEU H H 27 7.954 7.954 7.682 0.272 25943 8185 1 20 . 1 1 28 28 GLU N N 28 116.810 116.810 117.789 -0.979 25943 8186 1 20 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.119 0.184 25943 8187 1 20 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.601 -1.361 25943 8188 1 20 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.730 -1.229 25943 8189 1 20 . 1 1 28 28 GLU H H 28 7.870 7.870 8.067 -0.197 25943 8190 1 20 . 1 1 29 29 ASP N N 29 116.732 116.732 117.258 -0.526 25943 8191 1 20 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.552 0.316 25943 8192 1 20 . 1 1 29 29 ASP CA C 29 52.127 52.127 54.484 -2.357 25943 8193 1 20 . 1 1 29 29 ASP CB C 29 38.930 38.930 41.251 -2.321 25943 8194 1 20 . 1 1 29 29 ASP H H 29 7.548 7.548 7.687 -0.139 25943 8195 1 20 . 1 1 30 30 TYR N N 30 125.460 125.460 122.180 3.280 25943 8196 1 20 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.481 -0.147 25943 8197 1 20 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.319 2.432 25943 8198 1 20 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.616 0.433 25943 8199 1 20 . 1 1 30 30 TYR H H 30 6.837 6.837 7.526 -0.689 25943 8200 1 20 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.440 0.093 25943 8201 1 20 . 1 1 32 32 PRO CA C 32 63.322 63.322 63.012 0.310 25943 8202 1 20 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.224 -0.895 25943 8203 1 20 . 1 1 33 33 GLN N N 33 120.060 120.060 123.760 -3.700 25943 8204 1 20 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.282 0.005 25943 8205 1 20 . 1 1 33 33 GLN CA C 33 56.012 56.012 55.360 0.652 25943 8206 1 20 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.437 0.293 25943 8207 1 20 . 1 1 33 33 GLN H H 33 8.453 8.453 8.821 -0.368 25943 8208 1 20 . 1 1 34 34 LYS N N 34 121.020 121.020 117.885 3.135 25943 8209 1 20 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.102 0.025 25943 8210 1 20 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.652 0.596 25943 8211 1 20 . 1 1 34 34 LYS CB C 34 31.837 31.837 31.231 0.606 25943 8212 1 20 . 1 1 34 34 LYS H H 34 8.376 8.376 8.285 0.091 25943 8213 1 20 . 1 1 35 35 GLY N N 35 110.370 110.370 106.320 4.050 25943 8214 1 20 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.283 0.716 25943 8215 1 20 . 1 1 35 35 GLY H H 35 8.630 8.630 8.145 0.485 25943 8216 1 20 . 1 1 36 36 CYS N N 36 117.850 117.850 123.220 -5.370 25943 8217 1 20 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.530 0.154 25943 8218 1 20 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.944 -0.452 25943 8219 1 20 . 1 1 36 36 CYS CB C 36 29.919 29.919 27.808 2.111 25943 8220 1 20 . 1 1 36 36 CYS H H 36 7.855 7.855 8.198 -0.343 25943 8221 1 20 . 1 1 37 37 ILE N N 37 125.540 125.540 123.190 2.350 25943 8222 1 20 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.378 0.226 25943 8223 1 20 . 1 1 37 37 ILE CA C 37 58.243 58.243 58.643 -0.400 25943 8224 1 20 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.312 1.016 25943 8225 1 20 . 1 1 37 37 ILE H H 37 9.362 9.362 8.025 1.337 25943 8226 1 20 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.394 -0.044 25943 8227 1 20 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.426 -0.181 25943 8228 1 20 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.255 0.205 25943 8229 1 20 . 1 1 39 39 LEU N N 39 120.950 120.950 124.077 -3.127 25943 8230 1 20 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.413 -0.523 25943 8231 1 20 . 1 1 39 39 LEU CA C 39 52.353 52.353 53.099 -0.746 25943 8232 1 20 . 1 1 39 39 LEU CB C 39 41.378 41.378 40.738 0.640 25943 8233 1 20 . 1 1 39 39 LEU H H 39 7.503 7.503 8.253 -0.750 25943 8234 1 20 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.404 -0.054 25943 8235 1 20 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.847 -0.546 25943 8236 1 20 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.632 -0.384 25943 8237 1 20 . 1 1 41 41 ARG N N 41 127.030 127.030 125.529 1.501 25943 8238 1 20 . 1 1 41 41 ARG HA H 41 3.828 3.828 3.920 -0.092 25943 8239 1 20 . 1 1 41 41 ARG CA C 41 60.704 60.704 60.004 0.700 25943 8240 1 20 . 1 1 41 41 ARG CB C 41 30.281 30.281 30.089 0.192 25943 8241 1 20 . 1 1 41 41 ARG H H 41 8.997 8.997 8.816 0.181 25943 8242 1 20 . 1 1 42 42 GLY N N 42 106.770 106.770 107.171 -0.401 25943 8243 1 20 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.771 0.734 25943 8244 1 20 . 1 1 42 42 GLY H H 42 8.820 8.820 8.587 0.233 25943 8245 1 20 . 1 1 43 43 GLN N N 43 118.070 118.070 120.109 -2.039 25943 8246 1 20 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.266 -0.252 25943 8247 1 20 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.726 -0.029 25943 8248 1 20 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.292 1.528 25943 8249 1 20 . 1 1 43 43 GLN H H 43 7.724 7.724 8.421 -0.697 25943 8250 1 20 . 1 1 44 44 THR N N 44 115.670 115.670 116.223 -0.553 25943 8251 1 20 . 1 1 44 44 THR HA H 44 4.220 4.220 4.012 0.208 25943 8252 1 20 . 1 1 44 44 THR CA C 44 67.781 67.781 66.556 1.225 25943 8253 1 20 . 1 1 44 44 THR CB C 44 67.781 67.781 68.760 -0.979 25943 8254 1 20 . 1 1 44 44 THR H H 44 7.641 7.641 8.254 -0.613 25943 8255 1 20 . 1 1 45 45 GLU N N 45 119.340 119.340 119.817 -0.477 25943 8256 1 20 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.082 -0.332 25943 8257 1 20 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.798 1.031 25943 8258 1 20 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.443 -0.118 25943 8259 1 20 . 1 1 45 45 GLU H H 45 8.412 8.412 8.177 0.235 25943 8260 1 20 . 1 1 46 46 LYS N N 46 115.700 115.700 118.065 -2.365 25943 8261 1 20 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.174 -0.002 25943 8262 1 20 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.889 -0.052 25943 8263 1 20 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.599 0.682 25943 8264 1 20 . 1 1 46 46 LYS H H 46 7.289 7.289 7.651 -0.362 25943 8265 1 20 . 1 1 47 47 ALA N N 47 121.880 121.880 122.899 -1.019 25943 8266 1 20 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.194 0.093 25943 8267 1 20 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.400 0.701 25943 8268 1 20 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.586 0.090 25943 8269 1 20 . 1 1 47 47 ALA H H 47 7.072 7.072 7.360 -0.288 25943 8270 1 20 . 1 1 48 48 ASP N N 48 121.440 121.440 123.292 -1.852 25943 8271 1 20 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.683 -0.020 25943 8272 1 20 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.549 -1.503 25943 8273 1 20 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.182 -2.479 25943 8274 1 20 . 1 1 48 48 ASP H H 48 8.654 8.654 8.258 0.396 25943 8275 1 20 . 1 1 49 49 HIS N N 49 112.540 112.540 119.135 -6.595 25943 8276 1 20 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.201 -0.229 25943 8277 1 20 . 1 1 49 49 HIS CA C 49 60.276 60.276 60.228 0.048 25943 8278 1 20 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.746 -1.005 25943 8279 1 20 . 1 1 49 49 HIS H H 49 8.316 8.316 8.919 -0.603 25943 8280 1 20 . 1 1 50 50 VAL N N 50 117.460 117.460 120.742 -3.282 25943 8281 1 20 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.858 -0.181 25943 8282 1 20 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.808 -0.985 25943 8283 1 20 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.467 0.336 25943 8284 1 20 . 1 1 50 50 VAL H H 50 7.610 7.610 8.196 -0.586 25943 8285 1 20 . 1 1 51 51 ASP N N 51 121.430 121.430 119.308 2.122 25943 8286 1 20 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.401 0.034 25943 8287 1 20 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.431 -0.839 25943 8288 1 20 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.247 -0.832 25943 8289 1 20 . 1 1 51 51 ASP H H 51 8.490 8.490 8.274 0.216 25943 8290 1 20 . 1 1 52 52 LEU N N 52 121.030 121.030 121.185 -0.155 25943 8291 1 20 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.937 0.030 25943 8292 1 20 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.521 -0.844 25943 8293 1 20 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.828 -0.120 25943 8294 1 20 . 1 1 52 52 LEU H H 52 8.649 8.649 8.514 0.135 25943 8295 1 20 . 1 1 53 53 ALA N N 53 120.440 120.440 119.708 0.732 25943 8296 1 20 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.058 -0.123 25943 8297 1 20 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.736 -0.138 25943 8298 1 20 . 1 1 53 53 ALA CB C 53 18.094 18.094 17.871 0.223 25943 8299 1 20 . 1 1 53 53 ALA H H 53 7.423 7.423 7.684 -0.261 25943 8300 1 20 . 1 1 54 54 THR N N 54 113.210 113.210 114.589 -1.379 25943 8301 1 20 . 1 1 54 54 THR HA H 54 3.712 3.712 4.119 -0.407 25943 8302 1 20 . 1 1 54 54 THR CA C 54 66.864 66.864 66.644 0.220 25943 8303 1 20 . 1 1 54 54 THR CB C 54 68.868 68.868 68.391 0.477 25943 8304 1 20 . 1 1 54 54 THR H H 54 7.683 7.683 7.417 0.266 25943 8305 1 20 . 1 1 55 55 LEU N N 55 122.800 122.800 122.180 0.620 25943 8306 1 20 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.323 -0.149 25943 8307 1 20 . 1 1 55 55 LEU CA C 55 58.403 58.403 57.853 0.549 25943 8308 1 20 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.603 1.435 25943 8309 1 20 . 1 1 55 55 LEU H H 55 8.314 8.314 7.772 0.542 25943 8310 1 20 . 1 1 56 56 MET N N 56 115.790 115.790 118.800 -3.010 25943 8311 1 20 . 1 1 56 56 MET HA H 56 3.831 3.831 4.297 -0.466 25943 8312 1 20 . 1 1 56 56 MET CA C 56 60.849 60.849 57.877 2.972 25943 8313 1 20 . 1 1 56 56 MET CB C 56 34.668 34.668 32.425 2.243 25943 8314 1 20 . 1 1 56 56 MET H H 56 8.379 8.379 7.674 0.705 25943 8315 1 20 . 1 1 57 57 ILE N N 57 120.370 120.370 118.964 1.406 25943 8316 1 20 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.818 -0.381 25943 8317 1 20 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.588 0.262 25943 8318 1 20 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.681 0.671 25943 8319 1 20 . 1 1 57 57 ILE H H 57 8.007 8.007 7.984 0.023 25943 8320 1 20 . 1 1 58 58 ASP N N 58 122.569 122.569 120.560 2.009 25943 8321 1 20 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.357 -0.010 25943 8322 1 20 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.325 -0.663 25943 8323 1 20 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.051 -3.141 25943 8324 1 20 . 1 1 58 58 ASP H H 58 9.271 9.271 8.079 1.192 25943 8325 1 20 . 1 1 59 59 PHE N N 59 114.340 114.340 117.784 -3.444 25943 8326 1 20 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.444 -0.220 25943 8327 1 20 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.615 0.760 25943 8328 1 20 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.572 0.958 25943 8329 1 20 . 1 1 59 59 PHE H H 59 8.025 8.025 8.171 -0.146 25943 8330 1 20 . 1 1 60 60 ASN N N 60 112.830 112.830 115.287 -2.457 25943 8331 1 20 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.725 -0.593 25943 8332 1 20 . 1 1 60 60 ASN CA C 60 54.614 54.614 54.390 0.224 25943 8333 1 20 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.342 2.618 25943 8334 1 20 . 1 1 60 60 ASN H H 60 7.601 7.601 7.897 -0.296 25943 8335 1 20 . 1 1 61 61 GLY N N 61 110.840 110.840 107.020 3.820 25943 8336 1 20 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.590 0.152 25943 8337 1 20 . 1 1 61 61 GLY H H 61 8.626 8.626 7.426 1.200 25943 8338 1 20 . 1 1 62 62 GLU N N 62 117.990 117.990 121.099 -3.109 25943 8339 1 20 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.437 0.495 25943 8340 1 20 . 1 1 62 62 GLU CA C 62 61.739 61.739 58.765 2.974 25943 8341 1 20 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.201 1.047 25943 8342 1 20 . 1 1 62 62 GLU H H 62 8.841 8.841 8.640 0.201 25943 8343 1 20 . 1 1 63 63 GLU N N 63 118.090 118.090 118.940 -0.850 25943 8344 1 20 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.001 0.027 25943 8345 1 20 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.284 1.468 25943 8346 1 20 . 1 1 63 63 GLU CB C 63 28.324 28.324 29.212 -0.888 25943 8347 1 20 . 1 1 63 63 GLU H H 63 8.535 8.535 8.538 -0.003 25943 8348 1 20 . 1 1 64 64 LYS N N 64 119.720 119.720 118.884 0.836 25943 8349 1 20 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.142 -0.060 25943 8350 1 20 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.285 0.899 25943 8351 1 20 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.178 -0.421 25943 8352 1 20 . 1 1 64 64 LYS H H 64 9.107 9.107 7.951 1.156 25943 8353 1 20 . 1 1 65 65 ALA N N 65 120.030 120.030 123.153 -3.123 25943 8354 1 20 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.071 -0.153 25943 8355 1 20 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.297 0.637 25943 8356 1 20 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.232 1.357 25943 8357 1 20 . 1 1 65 65 ALA H H 65 8.179 8.179 7.935 0.244 25943 8358 1 20 . 1 1 66 66 TRP N N 66 116.210 116.210 118.968 -2.758 25943 8359 1 20 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.375 -0.401 25943 8360 1 20 . 1 1 66 66 TRP CA C 66 61.302 61.302 58.857 2.445 25943 8361 1 20 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.311 0.644 25943 8362 1 20 . 1 1 66 66 TRP H H 66 7.900 7.900 7.436 0.464 25943 8363 1 20 . 1 1 67 67 ALA N N 67 119.640 119.640 122.069 -2.429 25943 8364 1 20 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.051 -0.020 25943 8365 1 20 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.041 0.571 25943 8366 1 20 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.081 0.025 25943 8367 1 20 . 1 1 67 67 ALA H H 67 7.754 7.754 7.653 0.101 25943 8368 1 20 . 1 1 68 68 MET N N 68 118.260 118.260 118.147 0.113 25943 8369 1 20 . 1 1 68 68 MET HA H 68 4.262 4.262 4.262 0.000 25943 8370 1 20 . 1 1 68 68 MET CA C 68 58.647 58.647 57.050 1.597 25943 8371 1 20 . 1 1 68 68 MET CB C 68 34.369 34.369 32.437 1.932 25943 8372 1 20 . 1 1 68 68 MET H H 68 8.500 8.500 8.359 0.141 25943 8373 1 20 . 1 1 69 69 ALA N N 69 120.358 120.358 122.095 -1.737 25943 8374 1 20 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.125 -0.552 25943 8375 1 20 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.160 0.469 25943 8376 1 20 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.419 -0.706 25943 8377 1 20 . 1 1 69 69 ALA H H 69 7.922 7.922 8.219 -0.297 25943 8378 1 20 . 1 1 70 70 VAL N N 70 114.916 114.916 115.738 -0.822 25943 8379 1 20 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.478 -0.075 25943 8380 1 20 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.303 2.631 25943 8381 1 20 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.027 1.261 25943 8382 1 20 . 1 1 70 70 VAL H H 70 8.202 8.202 8.240 -0.038 25943 8383 1 20 . 1 1 71 71 TRP N N 71 118.400 118.400 122.788 -4.388 25943 8384 1 20 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.234 -0.097 25943 8385 1 20 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.539 0.723 25943 8386 1 20 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.678 -0.436 25943 8387 1 20 . 1 1 71 71 TRP H H 71 7.806 7.806 7.618 0.188 25943 8388 1 20 . 1 1 72 72 ILE N N 72 119.430 119.430 119.158 0.272 25943 8389 1 20 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.455 -0.333 25943 8390 1 20 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.882 0.981 25943 8391 1 20 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.849 -1.179 25943 8392 1 20 . 1 1 72 72 ILE H H 72 8.654 8.654 7.422 1.232 25943 8393 1 20 . 1 1 73 73 PHE N N 73 118.760 118.760 118.950 -0.190 25943 8394 1 20 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.101 0.413 25943 8395 1 20 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.656 -0.502 25943 8396 1 20 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.297 0.024 25943 8397 1 20 . 1 1 73 73 PHE H H 73 9.015 9.015 7.095 1.921 25943 8398 1 20 . 1 1 74 74 ALA N N 74 118.190 118.190 119.498 -1.308 25943 8399 1 20 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.976 -0.315 25943 8400 1 20 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.363 0.799 25943 8401 1 20 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.718 -0.567 25943 8402 1 20 . 1 1 74 74 ALA H H 74 7.363 7.363 7.637 -0.274 25943 8403 1 20 . 1 1 75 75 ALA N N 75 122.920 122.920 122.688 0.232 25943 8404 1 20 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.871 -0.136 25943 8405 1 20 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.142 0.484 25943 8406 1 20 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.454 -0.877 25943 8407 1 20 . 1 1 75 75 ALA H H 75 7.640 7.640 7.236 0.404 25943 8408 1 20 . 1 1 76 76 ILE N N 76 108.850 108.850 112.953 -4.103 25943 8409 1 20 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.184 0.312 25943 8410 1 20 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.656 0.022 25943 8411 1 20 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.641 0.751 25943 8412 1 20 . 1 1 76 76 ILE H H 76 7.901 7.901 7.391 0.510 25943 8413 1 20 . 1 1 77 77 ASN N N 77 116.232 116.232 118.460 -2.228 25943 8414 1 20 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.395 -0.137 25943 8415 1 20 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.486 0.584 25943 8416 1 20 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.487 -0.569 25943 8417 1 20 . 1 1 77 77 ASN H H 77 7.865 7.865 7.594 0.271 25943 8418 1 20 . 1 1 78 78 ARG N N 78 118.810 118.810 121.268 -2.458 25943 8419 1 20 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.416 0.552 25943 8420 1 20 . 1 1 78 78 ARG CA C 78 50.923 50.923 56.161 -5.238 25943 8421 1 20 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.741 -4.124 25943 8422 1 20 . 1 1 78 78 ARG H H 78 8.325 8.325 8.027 0.298 25943 8423 1 20 . 1 1 79 79 ARG N N 79 122.270 122.270 119.919 2.351 25943 8424 1 20 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.068 -0.157 25943 8425 1 20 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.380 -0.186 25943 8426 1 20 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.491 0.067 25943 8427 1 20 . 1 1 79 79 ARG H H 79 8.171 8.171 8.545 -0.374 25943 8428 1 20 . 1 1 80 80 ASP N N 80 117.180 117.180 121.464 -4.284 25943 8429 1 20 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.404 -0.545 25943 8430 1 20 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.311 -1.146 25943 8431 1 20 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.267 -1.895 25943 8432 1 20 . 1 1 80 80 ASP H H 80 9.124 9.124 8.094 1.030 25943 8433 1 20 . 1 1 81 81 LEU N N 81 120.540 120.540 119.887 0.653 25943 8434 1 20 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.092 -0.253 25943 8435 1 20 . 1 1 81 81 LEU CA C 81 56.763 56.763 56.729 0.034 25943 8436 1 20 . 1 1 81 81 LEU CB C 81 40.289 40.289 42.085 -1.796 25943 8437 1 20 . 1 1 81 81 LEU H H 81 7.267 7.267 8.306 -1.039 25943 8438 1 20 . 1 1 82 82 TYR N N 82 119.140 119.140 120.558 -1.418 25943 8439 1 20 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.219 -0.060 25943 8440 1 20 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.225 1.014 25943 8441 1 20 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.291 0.400 25943 8442 1 20 . 1 1 82 82 TYR H H 82 8.041 8.041 8.613 -0.572 25943 8443 1 20 . 1 1 83 83 GLU N N 83 115.620 115.620 118.402 -2.782 25943 8444 1 20 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.731 -0.035 25943 8445 1 20 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.073 0.007 25943 8446 1 20 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.053 0.084 25943 8447 1 20 . 1 1 83 83 GLU H H 83 8.194 8.194 7.823 0.371 25943 8448 1 20 . 1 1 84 84 LYS N N 84 118.080 118.080 119.975 -1.895 25943 8449 1 20 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.026 -0.109 25943 8450 1 20 . 1 1 84 84 LYS CA C 84 59.764 59.764 59.406 0.358 25943 8451 1 20 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.492 0.882 25943 8452 1 20 . 1 1 84 84 LYS H H 84 7.446 7.446 7.449 -0.003 25943 8453 1 20 . 1 1 85 85 ALA N N 85 120.470 120.470 121.517 -1.047 25943 8454 1 20 . 1 1 85 85 ALA HA H 85 4.123 4.123 3.754 0.369 25943 8455 1 20 . 1 1 85 85 ALA CA C 85 55.110 55.110 54.943 0.167 25943 8456 1 20 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.114 0.268 25943 8457 1 20 . 1 1 85 85 ALA H H 85 8.651 8.651 8.251 0.400 25943 8458 1 20 . 1 1 86 86 LYS N N 86 117.610 117.610 116.385 1.225 25943 8459 1 20 . 1 1 86 86 LYS HA H 86 4.010 4.010 3.968 0.042 25943 8460 1 20 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.353 0.816 25943 8461 1 20 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.304 -0.513 25943 8462 1 20 . 1 1 86 86 LYS H H 86 8.059 8.059 7.572 0.487 25943 8463 1 20 . 1 1 87 87 ARG N N 87 116.900 116.900 118.127 -1.227 25943 8464 1 20 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.158 0.007 25943 8465 1 20 . 1 1 87 87 ARG CA C 87 57.700 57.700 57.632 0.068 25943 8466 1 20 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.430 -0.114 25943 8467 1 20 . 1 1 87 87 ARG H H 87 7.196 7.196 7.523 -0.327 25943 8468 1 20 . 1 1 88 88 ASP N N 88 119.290 119.290 118.203 1.087 25943 8469 1 20 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.660 0.034 25943 8470 1 20 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.853 -1.184 25943 8471 1 20 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.433 0.986 25943 8472 1 20 . 1 1 88 88 ASP H H 88 7.507 7.507 7.712 -0.205 25943 8473 1 20 . 1 1 89 89 GLU N N 89 119.970 119.970 122.228 -2.258 25943 8474 1 20 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.040 -0.636 25943 8475 1 20 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.170 0.265 25943 8476 1 20 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.609 -1.388 25943 8477 1 20 . 1 1 89 89 GLU H H 89 7.337 7.337 7.334 0.003 25943 8478 1 20 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.333 -0.127 25943 8479 1 20 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.914 0.342 25943 8480 1 20 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.254 -0.461 25943 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 83 2.040 0.796 1.890 25943 2 1 1 "Average Difference" HA 91 0.273 0.078 0.263 25943 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25943 4 1 1 "Average Difference" CA 88 0.979 -0.183 0.967 25943 5 1 1 "Average Difference" CB 85 1.189 0.168 1.184 25943 6 1 1 "Average Difference" HN 83 0.517 -0.176 0.489 25943 7 1 2 "Average Difference" N 83 2.275 0.764 2.156 25943 8 1 2 "Average Difference" HA 91 0.237 0.082 0.223 25943 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25943 10 1 2 "Average Difference" CA 88 0.964 -0.191 0.950 25943 11 1 2 "Average Difference" CB 85 1.137 0.099 1.139 25943 12 1 2 "Average Difference" HN 83 0.559 -0.158 0.539 25943 13 1 3 "Average Difference" N 83 2.238 0.817 2.096 25943 14 1 3 "Average Difference" HA 91 0.253 0.064 0.246 25943 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25943 16 1 3 "Average Difference" CA 88 1.048 -0.174 1.039 25943 17 1 3 "Average Difference" CB 85 1.078 0.122 1.077 25943 18 1 3 "Average Difference" HN 83 0.542 -0.159 0.521 25943 19 1 4 "Average Difference" N 83 2.386 0.822 2.253 25943 20 1 4 "Average Difference" HA 91 0.276 0.081 0.265 25943 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25943 22 1 4 "Average Difference" CA 88 1.040 -0.168 1.032 25943 23 1 4 "Average Difference" CB 85 1.138 0.107 1.140 25943 24 1 4 "Average Difference" HN 83 0.521 -0.173 0.494 25943 25 1 5 "Average Difference" N 83 2.278 0.709 2.179 25943 26 1 5 "Average Difference" HA 91 0.267 0.080 0.256 25943 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25943 28 1 5 "Average Difference" CA 88 1.076 -0.163 1.070 25943 29 1 5 "Average Difference" CB 85 1.042 0.111 1.043 25943 30 1 5 "Average Difference" HN 83 0.498 -0.170 0.471 25943 31 1 6 "Average Difference" N 83 2.292 0.768 2.173 25943 32 1 6 "Average Difference" HA 91 0.254 0.073 0.245 25943 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25943 34 1 6 "Average Difference" CA 88 1.008 -0.198 0.994 25943 35 1 6 "Average Difference" CB 85 1.090 0.055 1.095 25943 36 1 6 "Average Difference" HN 83 0.578 -0.190 0.549 25943 37 1 7 "Average Difference" N 83 2.303 1.007 2.084 25943 38 1 7 "Average Difference" HA 91 0.239 0.067 0.230 25943 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25943 40 1 7 "Average Difference" CA 88 0.965 -0.199 0.950 25943 41 1 7 "Average Difference" CB 85 1.135 0.159 1.130 25943 42 1 7 "Average Difference" HN 83 0.560 -0.197 0.527 25943 43 1 8 "Average Difference" N 83 2.223 0.763 2.101 25943 44 1 8 "Average Difference" HA 91 0.267 0.084 0.255 25943 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25943 46 1 8 "Average Difference" CA 88 1.031 -0.190 1.019 25943 47 1 8 "Average Difference" CB 85 1.114 0.164 1.108 25943 48 1 8 "Average Difference" HN 83 0.483 -0.133 0.467 25943 49 1 9 "Average Difference" N 83 2.123 0.883 1.943 25943 50 1 9 "Average Difference" HA 91 0.274 0.077 0.264 25943 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25943 52 1 9 "Average Difference" CA 88 0.992 -0.221 0.973 25943 53 1 9 "Average Difference" CB 85 1.108 0.142 1.105 25943 54 1 9 "Average Difference" HN 83 0.523 -0.161 0.500 25943 55 1 10 "Average Difference" N 83 2.214 0.905 2.033 25943 56 1 10 "Average Difference" HA 91 0.252 0.075 0.242 25943 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25943 58 1 10 "Average Difference" CA 88 0.989 -0.160 0.982 25943 59 1 10 "Average Difference" CB 85 1.126 0.130 1.125 25943 60 1 10 "Average Difference" HN 83 0.583 -0.195 0.553 25943 61 1 11 "Average Difference" N 83 2.179 0.740 2.062 25943 62 1 11 "Average Difference" HA 91 0.250 0.075 0.239 25943 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25943 64 1 11 "Average Difference" CA 88 0.989 -0.202 0.973 25943 65 1 11 "Average Difference" CB 85 1.051 0.023 1.057 25943 66 1 11 "Average Difference" HN 83 0.511 -0.161 0.488 25943 67 1 12 "Average Difference" N 83 2.593 0.730 2.503 25943 68 1 12 "Average Difference" HA 91 0.269 0.084 0.257 25943 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25943 70 1 12 "Average Difference" CA 88 1.081 -0.225 1.063 25943 71 1 12 "Average Difference" CB 85 1.135 0.148 1.132 25943 72 1 12 "Average Difference" HN 83 0.526 -0.152 0.507 25943 73 1 13 "Average Difference" N 83 2.374 0.741 2.269 25943 74 1 13 "Average Difference" HA 91 0.262 0.082 0.251 25943 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25943 76 1 13 "Average Difference" CA 88 1.024 -0.231 1.003 25943 77 1 13 "Average Difference" CB 85 1.174 0.154 1.171 25943 78 1 13 "Average Difference" HN 83 0.581 -0.151 0.564 25943 79 1 14 "Average Difference" N 83 2.159 0.814 2.012 25943 80 1 14 "Average Difference" HA 91 0.239 0.062 0.232 25943 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25943 82 1 14 "Average Difference" CA 88 1.012 -0.188 1.000 25943 83 1 14 "Average Difference" CB 85 1.126 0.190 1.117 25943 84 1 14 "Average Difference" HN 83 0.552 -0.163 0.531 25943 85 1 15 "Average Difference" N 83 2.233 0.679 2.140 25943 86 1 15 "Average Difference" HA 91 0.240 0.076 0.229 25943 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25943 88 1 15 "Average Difference" CA 88 0.944 -0.279 0.907 25943 89 1 15 "Average Difference" CB 85 1.125 0.132 1.124 25943 90 1 15 "Average Difference" HN 83 0.567 -0.159 0.547 25943 91 1 16 "Average Difference" N 83 2.335 0.735 2.230 25943 92 1 16 "Average Difference" HA 91 0.258 0.081 0.247 25943 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25943 94 1 16 "Average Difference" CA 88 1.019 -0.276 0.986 25943 95 1 16 "Average Difference" CB 85 1.163 0.004 1.170 25943 96 1 16 "Average Difference" HN 83 0.557 -0.177 0.531 25943 97 1 17 "Average Difference" N 83 2.478 0.881 2.330 25943 98 1 17 "Average Difference" HA 91 0.264 0.064 0.258 25943 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25943 100 1 17 "Average Difference" CA 88 1.065 -0.262 1.038 25943 101 1 17 "Average Difference" CB 85 1.098 0.025 1.104 25943 102 1 17 "Average Difference" HN 83 0.509 -0.151 0.489 25943 103 1 18 "Average Difference" N 83 2.175 0.726 2.063 25943 104 1 18 "Average Difference" HA 91 0.287 0.080 0.277 25943 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25943 106 1 18 "Average Difference" CA 88 0.906 -0.205 0.887 25943 107 1 18 "Average Difference" CB 85 1.053 0.146 1.049 25943 108 1 18 "Average Difference" HN 83 0.506 -0.183 0.474 25943 109 1 19 "Average Difference" N 83 2.296 0.556 2.241 25943 110 1 19 "Average Difference" HA 91 0.263 0.076 0.253 25943 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25943 112 1 19 "Average Difference" CA 88 1.144 -0.242 1.124 25943 113 1 19 "Average Difference" CB 85 1.182 0.026 1.189 25943 114 1 19 "Average Difference" HN 83 0.504 -0.184 0.472 25943 115 1 20 "Average Difference" N 83 2.316 0.766 2.199 25943 116 1 20 "Average Difference" HA 91 0.270 0.072 0.262 25943 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25943 118 1 20 "Average Difference" CA 88 1.148 -0.224 1.133 25943 119 1 20 "Average Difference" CB 85 1.186 0.053 1.192 25943 120 1 20 "Average Difference" HN 83 0.567 -0.151 0.550 25943 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 25943 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.156 4.156 4.526 -0.370 25943 2 1 . 1 1 2 2 ALA CA C 2 51.703 51.703 52.009 -0.306 25943 3 1 . 1 1 2 2 ALA CB C 2 19.641 19.641 19.424 0.217 25943 4 1 . 1 1 3 3 SER N N 3 115.850 115.850 117.905 -2.055 25943 5 1 . 1 1 3 3 SER HA H 3 4.696 4.696 4.520 0.177 25943 6 1 . 1 1 3 3 SER CA C 3 57.756 57.756 57.922 -0.166 25943 7 1 . 1 1 3 3 SER CB C 3 64.325 64.325 64.525 -0.200 25943 8 1 . 1 1 3 3 SER H H 3 8.757 8.757 8.347 0.410 25943 9 1 . 1 1 4 4 THR N N 4 118.590 118.590 121.585 -2.995 25943 10 1 . 1 1 4 4 THR HA H 4 4.213 4.213 4.190 0.023 25943 11 1 . 1 1 4 4 THR CA C 4 64.714 64.714 65.254 -0.540 25943 12 1 . 1 1 4 4 THR CB C 4 68.864 68.864 69.032 -0.168 25943 13 1 . 1 1 4 4 THR H H 4 8.854 8.854 8.752 0.102 25943 14 1 . 1 1 5 5 ARG N N 5 122.240 122.240 121.905 0.335 25943 15 1 . 1 1 5 5 ARG HA H 5 3.969 3.969 4.029 -0.060 25943 16 1 . 1 1 5 5 ARG CA C 5 59.259 59.259 59.916 -0.657 25943 17 1 . 1 1 5 5 ARG CB C 5 30.271 30.271 29.846 0.425 25943 18 1 . 1 1 5 5 ARG H H 5 8.535 8.535 8.181 0.354 25943 19 1 . 1 1 6 6 CYS N N 6 118.400 118.400 116.189 2.212 25943 20 1 . 1 1 6 6 CYS HA H 6 4.247 4.247 4.264 -0.017 25943 21 1 . 1 1 6 6 CYS CA C 6 61.224 61.224 62.058 -0.834 25943 22 1 . 1 1 6 6 CYS CB C 6 27.203 27.203 27.122 0.081 25943 23 1 . 1 1 6 6 CYS H H 6 8.174 8.174 8.020 0.154 25943 24 1 . 1 1 7 7 LYS N N 7 123.084 123.084 121.338 1.746 25943 25 1 . 1 1 7 7 LYS HA H 7 4.068 4.068 4.112 -0.044 25943 26 1 . 1 1 7 7 LYS CA C 7 59.684 59.684 59.355 0.329 25943 27 1 . 1 1 7 7 LYS CB C 7 32.837 32.837 32.294 0.543 25943 28 1 . 1 1 7 7 LYS H H 7 8.395 8.395 7.414 0.981 25943 29 1 . 1 1 8 8 LEU N N 8 120.110 120.110 119.651 0.459 25943 30 1 . 1 1 8 8 LEU HA H 8 3.974 3.974 4.085 -0.111 25943 31 1 . 1 1 8 8 LEU CA C 8 58.238 58.238 57.861 0.377 25943 32 1 . 1 1 8 8 LEU CB C 8 41.454 41.454 41.705 -0.251 25943 33 1 . 1 1 8 8 LEU H H 8 8.546 8.546 8.262 0.284 25943 34 1 . 1 1 9 9 ALA N N 9 118.910 118.910 120.948 -2.038 25943 35 1 . 1 1 9 9 ALA HA H 9 3.876 3.876 4.029 -0.153 25943 36 1 . 1 1 9 9 ALA CA C 9 55.636 55.636 55.005 0.631 25943 37 1 . 1 1 9 9 ALA CB C 9 18.575 18.575 18.299 0.276 25943 38 1 . 1 1 9 9 ALA H H 9 8.076 8.076 7.871 0.205 25943 39 1 . 1 1 10 10 ARG N N 10 116.760 116.760 118.494 -1.734 25943 40 1 . 1 1 10 10 ARG HA H 10 3.952 3.952 4.005 -0.053 25943 41 1 . 1 1 10 10 ARG CA C 10 58.710 58.710 59.064 -0.354 25943 42 1 . 1 1 10 10 ARG CB C 10 29.724 29.724 30.029 -0.305 25943 43 1 . 1 1 10 10 ARG H H 10 7.556 7.556 7.743 -0.187 25943 44 1 . 1 1 11 11 TYR N N 11 117.102 117.102 119.191 -2.089 25943 45 1 . 1 1 11 11 TYR HA H 11 4.347 4.347 4.316 0.031 25943 46 1 . 1 1 11 11 TYR CA C 11 61.698 61.698 61.342 0.356 25943 47 1 . 1 1 11 11 TYR CB C 11 38.308 38.308 38.443 -0.135 25943 48 1 . 1 1 11 11 TYR H H 11 7.510 7.510 7.585 -0.075 25943 49 1 . 1 1 12 12 LEU N N 12 116.791 116.791 117.697 -0.906 25943 50 1 . 1 1 12 12 LEU HA H 12 3.897 3.897 3.903 -0.006 25943 51 1 . 1 1 12 12 LEU CA C 12 57.576 57.576 57.377 0.199 25943 52 1 . 1 1 12 12 LEU CB C 12 40.946 40.946 41.435 -0.490 25943 53 1 . 1 1 12 12 LEU H H 12 7.893 7.893 7.841 0.052 25943 54 1 . 1 1 13 13 GLU N N 13 117.866 117.866 117.730 0.136 25943 55 1 . 1 1 13 13 GLU HA H 13 3.248 3.248 4.100 -0.852 25943 56 1 . 1 1 13 13 GLU CA C 13 57.666 57.666 58.025 -0.359 25943 57 1 . 1 1 13 13 GLU CB C 13 28.253 28.253 29.637 -1.384 25943 58 1 . 1 1 13 13 GLU H H 13 7.975 7.975 7.811 0.164 25943 59 1 . 1 1 14 14 ASP N N 14 116.190 116.190 117.418 -1.228 25943 60 1 . 1 1 14 14 ASP HA H 14 4.637 4.637 4.469 0.168 25943 61 1 . 1 1 14 14 ASP CA C 14 54.135 54.135 54.836 -0.701 25943 62 1 . 1 1 14 14 ASP CB C 14 38.654 38.654 40.789 -2.135 25943 63 1 . 1 1 14 14 ASP H H 14 7.293 7.293 7.793 -0.500 25943 64 1 . 1 1 15 15 LEU N N 15 119.530 119.530 119.447 0.083 25943 65 1 . 1 1 15 15 LEU HA H 15 4.309 4.309 4.342 -0.033 25943 66 1 . 1 1 15 15 LEU CA C 15 54.689 54.689 54.043 0.646 25943 67 1 . 1 1 15 15 LEU CB C 15 41.930 41.930 42.913 -0.983 25943 68 1 . 1 1 15 15 LEU H H 15 7.301 7.301 7.165 0.136 25943 69 1 . 1 1 16 16 GLU N N 16 121.840 121.840 120.340 1.500 25943 70 1 . 1 1 16 16 GLU HA H 16 4.516 4.516 4.177 0.339 25943 71 1 . 1 1 16 16 GLU CA C 16 55.806 55.806 56.294 -0.488 25943 72 1 . 1 1 16 16 GLU CB C 16 29.232 29.232 30.961 -1.729 25943 73 1 . 1 1 16 16 GLU H H 16 8.837 8.837 8.447 0.390 25943 74 1 . 1 1 17 17 ASP N N 17 122.070 122.070 122.900 -0.830 25943 75 1 . 1 1 17 17 ASP HA H 17 4.349 4.349 4.337 0.012 25943 76 1 . 1 1 17 17 ASP CA C 17 58.768 58.768 57.815 0.953 25943 77 1 . 1 1 17 17 ASP CB C 17 40.358 40.358 40.593 -0.235 25943 78 1 . 1 1 17 17 ASP H H 17 8.951 8.951 8.772 0.179 25943 79 1 . 1 1 18 18 VAL N N 18 118.150 118.150 118.899 -0.749 25943 80 1 . 1 1 18 18 VAL HA H 18 3.859 3.859 3.814 0.045 25943 81 1 . 1 1 18 18 VAL CA C 18 65.986 65.986 65.707 0.279 25943 82 1 . 1 1 18 18 VAL CB C 18 31.543 31.543 31.571 -0.028 25943 83 1 . 1 1 18 18 VAL H H 18 8.613 8.613 7.938 0.675 25943 84 1 . 1 1 19 19 ASP N N 19 120.600 120.600 119.383 1.217 25943 85 1 . 1 1 19 19 ASP HA H 19 4.706 4.706 4.472 0.234 25943 86 1 . 1 1 19 19 ASP CA C 19 56.820 56.820 56.981 -0.161 25943 87 1 . 1 1 19 19 ASP CB C 19 41.858 41.858 40.449 1.409 25943 88 1 . 1 1 19 19 ASP H H 19 7.358 7.358 8.150 -0.792 25943 89 1 . 1 1 20 20 LEU N N 20 123.020 123.020 121.098 1.922 25943 90 1 . 1 1 20 20 LEU HA H 20 4.147 4.147 4.061 0.086 25943 91 1 . 1 1 20 20 LEU CA C 20 58.115 58.115 57.904 0.211 25943 92 1 . 1 1 20 20 LEU CB C 20 40.919 40.919 41.886 -0.967 25943 93 1 . 1 1 20 20 LEU H H 20 8.635 8.635 8.028 0.607 25943 94 1 . 1 1 21 21 LYS N N 21 119.120 119.120 118.882 0.237 25943 95 1 . 1 1 21 21 LYS HA H 21 4.032 4.032 4.004 0.028 25943 96 1 . 1 1 21 21 LYS CA C 21 60.340 60.340 59.739 0.601 25943 97 1 . 1 1 21 21 LYS CB C 21 32.291 32.291 32.136 0.155 25943 98 1 . 1 1 21 21 LYS H H 21 7.914 7.914 7.641 0.273 25943 99 1 . 1 1 22 22 LYS N N 22 118.660 118.660 119.119 -0.459 25943 100 1 . 1 1 22 22 LYS HA H 22 4.180 4.180 4.063 0.117 25943 101 1 . 1 1 22 22 LYS CA C 22 60.179 60.179 59.168 1.011 25943 102 1 . 1 1 22 22 LYS CB C 22 33.615 33.615 32.201 1.414 25943 103 1 . 1 1 22 22 LYS H H 22 7.715 7.715 7.497 0.218 25943 104 1 . 1 1 23 23 PHE N N 23 123.360 123.360 120.680 2.680 25943 105 1 . 1 1 23 23 PHE HA H 23 3.971 3.971 4.203 -0.232 25943 106 1 . 1 1 23 23 PHE CA C 23 61.390 61.390 61.644 -0.254 25943 107 1 . 1 1 23 23 PHE CB C 23 40.453 40.453 39.270 1.183 25943 108 1 . 1 1 23 23 PHE H H 23 9.148 9.148 8.045 1.103 25943 109 1 . 1 1 24 24 LYS N N 24 117.660 117.660 119.582 -1.922 25943 110 1 . 1 1 24 24 LYS HA H 24 3.775 3.775 4.079 -0.304 25943 111 1 . 1 1 24 24 LYS CA C 24 61.215 61.215 59.535 1.680 25943 112 1 . 1 1 24 24 LYS CB C 24 33.307 33.307 32.418 0.889 25943 113 1 . 1 1 24 24 LYS H H 24 8.750 8.750 7.706 1.044 25943 114 1 . 1 1 25 25 MET N N 25 118.140 118.140 119.164 -1.024 25943 115 1 . 1 1 25 25 MET HA H 25 3.955 3.955 4.169 -0.214 25943 116 1 . 1 1 25 25 MET CA C 25 59.261 59.261 58.495 0.766 25943 117 1 . 1 1 25 25 MET CB C 25 32.276 32.276 32.538 -0.262 25943 118 1 . 1 1 25 25 MET H H 25 8.005 8.005 8.024 -0.020 25943 119 1 . 1 1 26 26 HIS N N 26 114.610 114.610 117.750 -3.140 25943 120 1 . 1 1 26 26 HIS HA H 26 4.321 4.321 4.416 -0.095 25943 121 1 . 1 1 26 26 HIS CA C 26 59.208 59.208 58.894 0.314 25943 122 1 . 1 1 26 26 HIS CB C 26 29.572 29.572 29.635 -0.063 25943 123 1 . 1 1 26 26 HIS H H 26 7.779 7.779 7.917 -0.138 25943 124 1 . 1 1 27 27 LEU N N 27 119.460 119.460 118.968 0.492 25943 125 1 . 1 1 27 27 LEU HA H 27 4.001 4.001 4.108 -0.107 25943 126 1 . 1 1 27 27 LEU CA C 27 57.746 57.746 57.320 0.426 25943 127 1 . 1 1 27 27 LEU CB C 27 42.906 42.906 41.872 1.033 25943 128 1 . 1 1 27 27 LEU H H 27 7.954 7.954 7.568 0.386 25943 129 1 . 1 1 28 28 GLU N N 28 116.810 116.810 118.069 -1.258 25943 130 1 . 1 1 28 28 GLU HA H 28 4.303 4.303 4.145 0.158 25943 131 1 . 1 1 28 28 GLU CA C 28 57.240 57.240 58.494 -1.254 25943 132 1 . 1 1 28 28 GLU CB C 28 28.501 28.501 29.717 -1.216 25943 133 1 . 1 1 28 28 GLU H H 28 7.870 7.870 8.037 -0.167 25943 134 1 . 1 1 29 29 ASP N N 29 116.732 116.732 118.331 -1.599 25943 135 1 . 1 1 29 29 ASP HA H 29 4.868 4.868 4.654 0.214 25943 136 1 . 1 1 29 29 ASP CA C 29 52.127 52.127 53.569 -1.442 25943 137 1 . 1 1 29 29 ASP CB C 29 38.930 38.930 40.336 -1.406 25943 138 1 . 1 1 29 29 ASP H H 29 7.548 7.548 7.691 -0.143 25943 139 1 . 1 1 30 30 TYR N N 30 125.460 125.460 122.670 2.790 25943 140 1 . 1 1 30 30 TYR HA H 30 4.334 4.334 4.448 -0.114 25943 141 1 . 1 1 30 30 TYR CA C 30 58.750 58.750 56.653 2.097 25943 142 1 . 1 1 30 30 TYR CB C 30 39.049 39.049 38.870 0.179 25943 143 1 . 1 1 30 30 TYR H H 30 6.837 6.837 7.545 -0.708 25943 144 1 . 1 1 32 32 PRO HA H 32 4.533 4.533 4.538 -0.005 25943 145 1 . 1 1 32 32 PRO CA C 32 63.322 63.322 62.967 0.355 25943 146 1 . 1 1 32 32 PRO CB C 32 31.329 31.329 32.380 -1.051 25943 147 1 . 1 1 33 33 GLN N N 33 120.060 120.060 122.674 -2.614 25943 148 1 . 1 1 33 33 GLN HA H 33 4.287 4.287 4.290 -0.003 25943 149 1 . 1 1 33 33 GLN CA C 33 56.012 56.012 56.180 -0.168 25943 150 1 . 1 1 33 33 GLN CB C 33 29.730 29.730 29.423 0.307 25943 151 1 . 1 1 33 33 GLN H H 33 8.453 8.453 8.681 -0.228 25943 152 1 . 1 1 34 34 LYS N N 34 121.020 121.020 117.870 3.150 25943 153 1 . 1 1 34 34 LYS HA H 34 4.127 4.127 4.276 -0.149 25943 154 1 . 1 1 34 34 LYS CA C 34 57.248 57.248 56.468 0.780 25943 155 1 . 1 1 34 34 LYS CB C 34 31.837 31.837 32.169 -0.332 25943 156 1 . 1 1 34 34 LYS H H 34 8.376 8.376 8.140 0.236 25943 157 1 . 1 1 35 35 GLY N N 35 110.370 110.370 109.151 1.219 25943 158 1 . 1 1 35 35 GLY CA C 35 45.999 45.999 45.127 0.872 25943 159 1 . 1 1 35 35 GLY H H 35 8.630 8.630 8.450 0.180 25943 160 1 . 1 1 36 36 CYS N N 36 117.850 117.850 120.085 -2.235 25943 161 1 . 1 1 36 36 CYS HA H 36 4.684 4.684 4.521 0.163 25943 162 1 . 1 1 36 36 CYS CA C 36 58.492 58.492 58.948 -0.456 25943 163 1 . 1 1 36 36 CYS CB C 36 29.919 29.919 28.574 1.345 25943 164 1 . 1 1 36 36 CYS H H 36 7.855 7.855 8.014 -0.159 25943 165 1 . 1 1 37 37 ILE N N 37 125.540 125.540 126.997 -1.457 25943 166 1 . 1 1 37 37 ILE HA H 37 4.604 4.604 4.348 0.256 25943 167 1 . 1 1 37 37 ILE CA C 37 58.243 58.243 59.171 -0.928 25943 168 1 . 1 1 37 37 ILE CB C 37 39.328 39.328 38.660 0.668 25943 169 1 . 1 1 37 37 ILE H H 37 9.362 9.362 8.381 0.981 25943 170 1 . 1 1 38 38 PRO HA H 38 4.350 4.350 4.452 -0.102 25943 171 1 . 1 1 38 38 PRO CA C 38 62.245 62.245 62.447 -0.202 25943 172 1 . 1 1 38 38 PRO CB C 38 32.460 32.460 32.175 0.285 25943 173 1 . 1 1 39 39 LEU N N 39 120.950 120.950 124.898 -3.948 25943 174 1 . 1 1 39 39 LEU HA H 39 3.890 3.890 4.384 -0.494 25943 175 1 . 1 1 39 39 LEU CA C 39 52.353 52.353 52.673 -0.320 25943 176 1 . 1 1 39 39 LEU CB C 39 41.378 41.378 41.062 0.316 25943 177 1 . 1 1 39 39 LEU H H 39 7.503 7.503 8.224 -0.721 25943 178 1 . 1 1 40 40 PRO HA H 40 4.350 4.350 4.434 -0.084 25943 179 1 . 1 1 40 40 PRO CA C 40 62.301 62.301 62.637 -0.336 25943 180 1 . 1 1 40 40 PRO CB C 40 32.248 32.248 32.537 -0.289 25943 181 1 . 1 1 41 41 ARG N N 41 127.030 127.030 125.143 1.887 25943 182 1 . 1 1 41 41 ARG HA H 41 3.828 3.828 4.024 -0.196 25943 183 1 . 1 1 41 41 ARG CA C 41 60.704 60.704 59.704 1.000 25943 184 1 . 1 1 41 41 ARG CB C 41 30.281 30.281 29.986 0.295 25943 185 1 . 1 1 41 41 ARG H H 41 8.997 8.997 8.693 0.304 25943 186 1 . 1 1 42 42 GLY N N 42 106.770 106.770 106.539 0.231 25943 187 1 . 1 1 42 42 GLY CA C 42 47.505 47.505 46.716 0.789 25943 188 1 . 1 1 42 42 GLY H H 42 8.820 8.820 8.635 0.185 25943 189 1 . 1 1 43 43 GLN N N 43 118.070 118.070 120.398 -2.328 25943 190 1 . 1 1 43 43 GLN HA H 43 4.014 4.014 4.168 -0.154 25943 191 1 . 1 1 43 43 GLN CA C 43 58.697 58.697 58.672 0.025 25943 192 1 . 1 1 43 43 GLN CB C 43 29.820 29.820 28.397 1.423 25943 193 1 . 1 1 43 43 GLN H H 43 7.724 7.724 7.826 -0.102 25943 194 1 . 1 1 44 44 THR N N 44 115.670 115.670 115.368 0.302 25943 195 1 . 1 1 44 44 THR HA H 44 4.220 4.220 4.031 0.189 25943 196 1 . 1 1 44 44 THR CA C 44 67.781 67.781 66.237 1.544 25943 197 1 . 1 1 44 44 THR CB C 44 67.781 67.781 68.602 -0.821 25943 198 1 . 1 1 44 44 THR H H 44 7.641 7.641 7.827 -0.186 25943 199 1 . 1 1 45 45 GLU N N 45 119.340 119.340 120.673 -1.333 25943 200 1 . 1 1 45 45 GLU HA H 45 3.750 3.750 4.091 -0.342 25943 201 1 . 1 1 45 45 GLU CA C 45 59.829 59.829 58.784 1.045 25943 202 1 . 1 1 45 45 GLU CB C 45 29.325 29.325 29.090 0.235 25943 203 1 . 1 1 45 45 GLU H H 45 8.412 8.412 8.155 0.257 25943 204 1 . 1 1 46 46 LYS N N 46 115.700 115.700 117.793 -2.093 25943 205 1 . 1 1 46 46 LYS HA H 46 4.172 4.172 4.184 -0.012 25943 206 1 . 1 1 46 46 LYS CA C 46 56.837 56.837 56.500 0.337 25943 207 1 . 1 1 46 46 LYS CB C 46 33.281 33.281 32.777 0.504 25943 208 1 . 1 1 46 46 LYS H H 46 7.289 7.289 7.613 -0.324 25943 209 1 . 1 1 47 47 ALA N N 47 121.880 121.880 122.982 -1.102 25943 210 1 . 1 1 47 47 ALA HA H 47 4.287 4.287 4.241 0.046 25943 211 1 . 1 1 47 47 ALA CA C 47 53.101 53.101 52.277 0.824 25943 212 1 . 1 1 47 47 ALA CB C 47 19.676 19.676 19.556 0.120 25943 213 1 . 1 1 47 47 ALA H H 47 7.072 7.072 7.429 -0.357 25943 214 1 . 1 1 48 48 ASP N N 48 121.440 121.440 123.623 -2.183 25943 215 1 . 1 1 48 48 ASP HA H 48 4.663 4.663 4.575 0.087 25943 216 1 . 1 1 48 48 ASP CA C 48 52.046 52.046 53.404 -1.358 25943 217 1 . 1 1 48 48 ASP CB C 48 39.703 39.703 42.364 -2.661 25943 218 1 . 1 1 48 48 ASP H H 48 8.654 8.654 8.324 0.330 25943 219 1 . 1 1 49 49 HIS N N 49 112.540 112.540 119.135 -6.595 25943 220 1 . 1 1 49 49 HIS HA H 49 3.972 3.972 4.218 -0.245 25943 221 1 . 1 1 49 49 HIS CA C 49 60.276 60.276 59.762 0.514 25943 222 1 . 1 1 49 49 HIS CB C 49 28.741 28.741 29.516 -0.775 25943 223 1 . 1 1 49 49 HIS H H 49 8.316 8.316 8.678 -0.362 25943 224 1 . 1 1 50 50 VAL N N 50 117.460 117.460 119.305 -1.845 25943 225 1 . 1 1 50 50 VAL HA H 50 3.677 3.677 3.689 -0.012 25943 226 1 . 1 1 50 50 VAL CA C 50 65.823 65.823 66.417 -0.594 25943 227 1 . 1 1 50 50 VAL CB C 50 31.803 31.803 31.429 0.374 25943 228 1 . 1 1 50 50 VAL H H 50 7.610 7.610 7.752 -0.142 25943 229 1 . 1 1 51 51 ASP N N 51 121.430 121.430 119.402 2.028 25943 230 1 . 1 1 51 51 ASP HA H 51 4.435 4.435 4.356 0.079 25943 231 1 . 1 1 51 51 ASP CA C 51 56.592 56.592 57.140 -0.548 25943 232 1 . 1 1 51 51 ASP CB C 51 39.415 39.415 40.474 -1.059 25943 233 1 . 1 1 51 51 ASP H H 51 8.490 8.490 8.154 0.336 25943 234 1 . 1 1 52 52 LEU N N 52 121.030 121.030 120.861 0.169 25943 235 1 . 1 1 52 52 LEU HA H 52 3.967 3.967 3.949 0.018 25943 236 1 . 1 1 52 52 LEU CA C 52 57.677 57.677 58.183 -0.506 25943 237 1 . 1 1 52 52 LEU CB C 52 41.708 41.708 41.599 0.109 25943 238 1 . 1 1 52 52 LEU H H 52 8.649 8.649 8.521 0.128 25943 239 1 . 1 1 53 53 ALA N N 53 120.440 120.440 119.044 1.396 25943 240 1 . 1 1 53 53 ALA HA H 53 3.935 3.935 4.033 -0.098 25943 241 1 . 1 1 53 53 ALA CA C 53 55.598 55.598 55.060 0.538 25943 242 1 . 1 1 53 53 ALA CB C 53 18.094 18.094 18.167 -0.073 25943 243 1 . 1 1 53 53 ALA H H 53 7.423 7.423 7.687 -0.264 25943 244 1 . 1 1 54 54 THR N N 54 113.210 113.210 116.266 -3.056 25943 245 1 . 1 1 54 54 THR HA H 54 3.712 3.712 4.096 -0.384 25943 246 1 . 1 1 54 54 THR CA C 54 66.864 66.864 66.792 0.072 25943 247 1 . 1 1 54 54 THR CB C 54 68.868 68.868 68.683 0.185 25943 248 1 . 1 1 54 54 THR H H 54 7.683 7.683 7.480 0.203 25943 249 1 . 1 1 55 55 LEU N N 55 122.800 122.800 122.524 0.276 25943 250 1 . 1 1 55 55 LEU HA H 55 4.174 4.174 4.165 0.009 25943 251 1 . 1 1 55 55 LEU CA C 55 58.403 58.403 58.150 0.253 25943 252 1 . 1 1 55 55 LEU CB C 55 43.038 43.038 41.598 1.440 25943 253 1 . 1 1 55 55 LEU H H 55 8.314 8.314 8.150 0.164 25943 254 1 . 1 1 56 56 MET N N 56 115.790 115.790 118.890 -3.100 25943 255 1 . 1 1 56 56 MET HA H 56 3.831 3.831 4.210 -0.379 25943 256 1 . 1 1 56 56 MET CA C 56 60.849 60.849 59.056 1.793 25943 257 1 . 1 1 56 56 MET CB C 56 34.668 34.668 32.679 1.989 25943 258 1 . 1 1 56 56 MET H H 56 8.379 8.379 7.765 0.614 25943 259 1 . 1 1 57 57 ILE N N 57 120.370 120.370 119.028 1.342 25943 260 1 . 1 1 57 57 ILE HA H 57 3.437 3.437 3.800 -0.363 25943 261 1 . 1 1 57 57 ILE CA C 57 64.850 64.850 64.536 0.314 25943 262 1 . 1 1 57 57 ILE CB C 57 38.352 38.352 37.953 0.399 25943 263 1 . 1 1 57 57 ILE H H 57 8.007 8.007 7.787 0.220 25943 264 1 . 1 1 58 58 ASP N N 58 122.569 122.569 120.012 2.557 25943 265 1 . 1 1 58 58 ASP HA H 58 4.347 4.347 4.413 -0.066 25943 266 1 . 1 1 58 58 ASP CA C 58 56.662 56.662 57.258 -0.596 25943 267 1 . 1 1 58 58 ASP CB C 58 37.910 37.910 41.159 -3.249 25943 268 1 . 1 1 58 58 ASP H H 58 9.271 9.271 8.119 1.152 25943 269 1 . 1 1 59 59 PHE N N 59 114.340 114.340 118.555 -4.215 25943 270 1 . 1 1 59 59 PHE HA H 59 4.224 4.224 4.418 -0.194 25943 271 1 . 1 1 59 59 PHE CA C 59 61.376 61.376 60.439 0.937 25943 272 1 . 1 1 59 59 PHE CB C 59 40.530 40.530 39.838 0.692 25943 273 1 . 1 1 59 59 PHE H H 59 8.025 8.025 8.147 -0.122 25943 274 1 . 1 1 60 60 ASN N N 60 112.830 112.830 115.281 -2.451 25943 275 1 . 1 1 60 60 ASN HA H 60 4.132 4.132 4.792 -0.660 25943 276 1 . 1 1 60 60 ASN CA C 60 54.614 54.614 53.762 0.852 25943 277 1 . 1 1 60 60 ASN CB C 60 42.960 42.960 40.592 2.368 25943 278 1 . 1 1 60 60 ASN H H 60 7.601 7.601 7.847 -0.246 25943 279 1 . 1 1 61 61 GLY N N 61 110.840 110.840 107.020 3.820 25943 280 1 . 1 1 61 61 GLY CA C 61 44.742 44.742 44.560 0.182 25943 281 1 . 1 1 61 61 GLY H H 61 8.626 8.626 7.328 1.298 25943 282 1 . 1 1 62 62 GLU N N 62 117.990 117.990 121.583 -3.593 25943 283 1 . 1 1 62 62 GLU HA H 62 3.932 3.932 3.919 0.013 25943 284 1 . 1 1 62 62 GLU CA C 62 61.739 61.739 59.327 2.412 25943 285 1 . 1 1 62 62 GLU CB C 62 30.248 30.248 29.566 0.682 25943 286 1 . 1 1 62 62 GLU H H 62 8.841 8.841 8.826 0.015 25943 287 1 . 1 1 63 63 GLU N N 63 118.090 118.090 119.314 -1.224 25943 288 1 . 1 1 63 63 GLU HA H 63 4.028 4.028 4.060 -0.032 25943 289 1 . 1 1 63 63 GLU CA C 63 60.752 60.752 59.336 1.416 25943 290 1 . 1 1 63 63 GLU CB C 63 28.324 28.324 28.973 -0.649 25943 291 1 . 1 1 63 63 GLU H H 63 8.535 8.535 8.637 -0.102 25943 292 1 . 1 1 64 64 LYS N N 64 119.720 119.720 119.796 -0.076 25943 293 1 . 1 1 64 64 LYS HA H 64 4.082 4.082 4.153 -0.071 25943 294 1 . 1 1 64 64 LYS CA C 64 59.184 59.184 58.697 0.487 25943 295 1 . 1 1 64 64 LYS CB C 64 31.758 31.758 32.264 -0.506 25943 296 1 . 1 1 64 64 LYS H H 64 9.107 9.107 8.106 1.001 25943 297 1 . 1 1 65 65 ALA N N 65 120.030 120.030 122.426 -2.396 25943 298 1 . 1 1 65 65 ALA HA H 65 3.918 3.918 4.089 -0.171 25943 299 1 . 1 1 65 65 ALA CA C 65 55.934 55.934 55.220 0.714 25943 300 1 . 1 1 65 65 ALA CB C 65 19.589 19.589 18.164 1.425 25943 301 1 . 1 1 65 65 ALA H H 65 8.179 8.179 8.015 0.164 25943 302 1 . 1 1 66 66 TRP N N 66 116.210 116.210 119.185 -2.975 25943 303 1 . 1 1 66 66 TRP HA H 66 3.974 3.974 4.245 -0.271 25943 304 1 . 1 1 66 66 TRP CA C 66 61.302 61.302 60.374 0.928 25943 305 1 . 1 1 66 66 TRP CB C 66 28.955 28.955 28.914 0.041 25943 306 1 . 1 1 66 66 TRP H H 66 7.900 7.900 7.677 0.223 25943 307 1 . 1 1 67 67 ALA N N 67 119.640 119.640 121.810 -2.170 25943 308 1 . 1 1 67 67 ALA HA H 67 4.031 4.031 4.026 0.005 25943 309 1 . 1 1 67 67 ALA CA C 67 55.612 55.612 55.122 0.490 25943 310 1 . 1 1 67 67 ALA CB C 67 18.106 18.106 18.196 -0.090 25943 311 1 . 1 1 67 67 ALA H H 67 7.754 7.754 7.722 0.032 25943 312 1 . 1 1 68 68 MET N N 68 118.260 118.260 117.280 0.980 25943 313 1 . 1 1 68 68 MET HA H 68 4.262 4.262 4.256 0.006 25943 314 1 . 1 1 68 68 MET CA C 68 58.647 58.647 58.015 0.632 25943 315 1 . 1 1 68 68 MET CB C 68 34.369 34.369 32.406 1.963 25943 316 1 . 1 1 68 68 MET H H 68 8.500 8.500 8.155 0.345 25943 317 1 . 1 1 69 69 ALA N N 69 120.358 120.358 122.783 -2.425 25943 318 1 . 1 1 69 69 ALA HA H 69 3.573 3.573 4.026 -0.453 25943 319 1 . 1 1 69 69 ALA CA C 69 55.629 55.629 55.092 0.537 25943 320 1 . 1 1 69 69 ALA CB C 69 17.713 17.713 18.295 -0.582 25943 321 1 . 1 1 69 69 ALA H H 69 7.922 7.922 8.306 -0.384 25943 322 1 . 1 1 70 70 VAL N N 70 114.916 114.916 116.623 -1.707 25943 323 1 . 1 1 70 70 VAL HA H 70 3.403 3.403 3.525 -0.122 25943 324 1 . 1 1 70 70 VAL CA C 70 67.934 67.934 65.712 2.221 25943 325 1 . 1 1 70 70 VAL CB C 70 32.288 32.288 31.455 0.833 25943 326 1 . 1 1 70 70 VAL H H 70 8.202 8.202 7.999 0.203 25943 327 1 . 1 1 71 71 TRP N N 71 118.400 118.400 121.805 -3.405 25943 328 1 . 1 1 71 71 TRP HA H 71 4.137 4.137 4.283 -0.146 25943 329 1 . 1 1 71 71 TRP CA C 71 62.262 62.262 61.462 0.800 25943 330 1 . 1 1 71 71 TRP CB C 71 29.242 29.242 29.787 -0.545 25943 331 1 . 1 1 71 71 TRP H H 71 7.806 7.806 7.703 0.103 25943 332 1 . 1 1 72 72 ILE N N 72 119.430 119.430 119.229 0.201 25943 333 1 . 1 1 72 72 ILE HA H 72 3.122 3.122 3.574 -0.452 25943 334 1 . 1 1 72 72 ILE CA C 72 65.863 65.863 64.752 1.111 25943 335 1 . 1 1 72 72 ILE CB C 72 36.670 36.670 37.778 -1.108 25943 336 1 . 1 1 72 72 ILE H H 72 8.654 8.654 7.772 0.882 25943 337 1 . 1 1 73 73 PHE N N 73 118.760 118.760 119.102 -0.342 25943 338 1 . 1 1 73 73 PHE HA H 73 4.514 4.514 4.129 0.385 25943 339 1 . 1 1 73 73 PHE CA C 73 59.154 59.154 59.900 -0.746 25943 340 1 . 1 1 73 73 PHE CB C 73 37.321 37.321 37.397 -0.076 25943 341 1 . 1 1 73 73 PHE H H 73 9.015 9.015 7.212 1.804 25943 342 1 . 1 1 74 74 ALA N N 74 118.190 118.190 119.915 -1.725 25943 343 1 . 1 1 74 74 ALA HA H 74 3.661 3.661 3.954 -0.293 25943 344 1 . 1 1 74 74 ALA CA C 74 55.162 55.162 54.555 0.607 25943 345 1 . 1 1 74 74 ALA CB C 74 17.151 17.151 17.708 -0.557 25943 346 1 . 1 1 74 74 ALA H H 74 7.363 7.363 7.679 -0.316 25943 347 1 . 1 1 75 75 ALA N N 75 122.920 122.920 122.434 0.486 25943 348 1 . 1 1 75 75 ALA HA H 75 3.735 3.735 3.897 -0.162 25943 349 1 . 1 1 75 75 ALA CA C 75 54.626 54.626 54.257 0.369 25943 350 1 . 1 1 75 75 ALA CB C 75 17.577 17.577 18.403 -0.826 25943 351 1 . 1 1 75 75 ALA H H 75 7.640 7.640 7.176 0.464 25943 352 1 . 1 1 76 76 ILE N N 76 108.850 108.850 113.159 -4.309 25943 353 1 . 1 1 76 76 ILE HA H 76 4.496 4.496 4.120 0.376 25943 354 1 . 1 1 76 76 ILE CA C 76 60.678 60.678 60.786 -0.108 25943 355 1 . 1 1 76 76 ILE CB C 76 37.392 37.392 36.786 0.606 25943 356 1 . 1 1 76 76 ILE H H 76 7.901 7.901 7.457 0.444 25943 357 1 . 1 1 77 77 ASN N N 77 116.232 116.232 117.817 -1.585 25943 358 1 . 1 1 77 77 ASN HA H 77 4.258 4.258 4.340 -0.082 25943 359 1 . 1 1 77 77 ASN CA C 77 55.070 55.070 54.466 0.604 25943 360 1 . 1 1 77 77 ASN CB C 77 36.918 36.918 37.415 -0.497 25943 361 1 . 1 1 77 77 ASN H H 77 7.865 7.865 7.687 0.178 25943 362 1 . 1 1 78 78 ARG N N 78 118.810 118.810 120.288 -1.478 25943 363 1 . 1 1 78 78 ARG HA H 78 4.968 4.968 4.469 0.499 25943 364 1 . 1 1 78 78 ARG CA C 78 50.923 50.923 55.265 -4.342 25943 365 1 . 1 1 78 78 ARG CB C 78 26.617 26.617 30.376 -3.759 25943 366 1 . 1 1 78 78 ARG H H 78 8.325 8.325 7.842 0.483 25943 367 1 . 1 1 79 79 ARG N N 79 122.270 122.270 120.829 1.441 25943 368 1 . 1 1 79 79 ARG HA H 79 3.911 3.911 4.009 -0.098 25943 369 1 . 1 1 79 79 ARG CA C 79 59.194 59.194 59.708 -0.514 25943 370 1 . 1 1 79 79 ARG CB C 79 29.558 29.558 29.706 -0.148 25943 371 1 . 1 1 79 79 ARG H H 79 8.171 8.171 8.463 -0.292 25943 372 1 . 1 1 80 80 ASP N N 80 117.180 117.180 119.383 -2.203 25943 373 1 . 1 1 80 80 ASP HA H 80 3.859 3.859 4.448 -0.589 25943 374 1 . 1 1 80 80 ASP CA C 80 56.165 56.165 57.001 -0.836 25943 375 1 . 1 1 80 80 ASP CB C 80 38.372 38.372 40.239 -1.867 25943 376 1 . 1 1 80 80 ASP H H 80 9.124 9.124 8.343 0.781 25943 377 1 . 1 1 81 81 LEU N N 81 120.540 120.540 120.073 0.467 25943 378 1 . 1 1 81 81 LEU HA H 81 3.839 3.839 4.062 -0.223 25943 379 1 . 1 1 81 81 LEU CA C 81 56.763 56.763 57.083 -0.320 25943 380 1 . 1 1 81 81 LEU CB C 81 40.289 40.289 41.859 -1.570 25943 381 1 . 1 1 81 81 LEU H H 81 7.267 7.267 8.039 -0.772 25943 382 1 . 1 1 82 82 TYR N N 82 119.140 119.140 119.905 -0.765 25943 383 1 . 1 1 82 82 TYR HA H 82 4.159 4.159 4.253 -0.094 25943 384 1 . 1 1 82 82 TYR CA C 82 62.239 62.239 61.143 1.096 25943 385 1 . 1 1 82 82 TYR CB C 82 38.691 38.691 38.263 0.428 25943 386 1 . 1 1 82 82 TYR H H 82 8.041 8.041 8.137 -0.096 25943 387 1 . 1 1 83 83 GLU N N 83 115.620 115.620 119.110 -3.490 25943 388 1 . 1 1 83 83 GLU HA H 83 3.696 3.696 3.698 -0.002 25943 389 1 . 1 1 83 83 GLU CA C 83 59.080 59.080 59.294 -0.214 25943 390 1 . 1 1 83 83 GLU CB C 83 29.137 29.137 29.274 -0.137 25943 391 1 . 1 1 83 83 GLU H H 83 8.194 8.194 7.804 0.390 25943 392 1 . 1 1 84 84 LYS N N 84 118.080 118.080 119.057 -0.977 25943 393 1 . 1 1 84 84 LYS HA H 84 3.917 3.917 4.115 -0.198 25943 394 1 . 1 1 84 84 LYS CA C 84 59.764 59.764 58.719 1.045 25943 395 1 . 1 1 84 84 LYS CB C 84 33.374 33.374 32.413 0.961 25943 396 1 . 1 1 84 84 LYS H H 84 7.446 7.446 7.455 -0.009 25943 397 1 . 1 1 85 85 ALA N N 85 120.470 120.470 122.154 -1.684 25943 398 1 . 1 1 85 85 ALA HA H 85 4.123 4.123 4.021 0.102 25943 399 1 . 1 1 85 85 ALA CA C 85 55.110 55.110 55.076 0.034 25943 400 1 . 1 1 85 85 ALA CB C 85 18.382 18.382 18.297 0.085 25943 401 1 . 1 1 85 85 ALA H H 85 8.651 8.651 8.285 0.366 25943 402 1 . 1 1 86 86 LYS N N 86 117.610 117.610 117.089 0.521 25943 403 1 . 1 1 86 86 LYS HA H 86 4.010 4.010 4.008 0.002 25943 404 1 . 1 1 86 86 LYS CA C 86 59.169 59.169 58.377 0.792 25943 405 1 . 1 1 86 86 LYS CB C 86 31.791 31.791 32.251 -0.460 25943 406 1 . 1 1 86 86 LYS H H 86 8.059 8.059 7.678 0.381 25943 407 1 . 1 1 87 87 ARG N N 87 116.900 116.900 117.213 -0.313 25943 408 1 . 1 1 87 87 ARG HA H 87 4.165 4.165 4.184 -0.019 25943 409 1 . 1 1 87 87 ARG CA C 87 57.700 57.700 58.138 -0.438 25943 410 1 . 1 1 87 87 ARG CB C 87 30.316 30.316 30.528 -0.212 25943 411 1 . 1 1 87 87 ARG H H 87 7.196 7.196 7.617 -0.421 25943 412 1 . 1 1 88 88 ASP N N 88 119.290 119.290 117.503 1.787 25943 413 1 . 1 1 88 88 ASP HA H 88 4.694 4.694 4.694 0.000 25943 414 1 . 1 1 88 88 ASP CA C 88 53.669 53.669 54.509 -0.840 25943 415 1 . 1 1 88 88 ASP CB C 88 42.419 42.419 41.752 0.667 25943 416 1 . 1 1 88 88 ASP H H 88 7.507 7.507 7.745 -0.238 25943 417 1 . 1 1 89 89 GLU N N 89 119.970 119.970 121.354 -1.384 25943 418 1 . 1 1 89 89 GLU HA H 89 3.404 3.404 4.109 -0.705 25943 419 1 . 1 1 89 89 GLU CA C 89 54.435 54.435 54.763 -0.328 25943 420 1 . 1 1 89 89 GLU CB C 89 28.221 28.221 29.584 -1.363 25943 421 1 . 1 1 89 89 GLU H H 89 7.337 7.337 7.448 -0.111 25943 422 1 . 1 1 90 90 PRO HA H 90 4.206 4.206 4.389 -0.183 25943 423 1 . 1 1 90 90 PRO CA C 90 63.256 63.256 62.837 0.419 25943 424 1 . 1 1 90 90 PRO CB C 90 31.793 31.793 32.302 -0.509 25943 stop_ save_